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 1c5m_1_D DATA FIRST_RESID 16 DATA SEQUENCE IVGGQEcKDG EcPWQALLIN EENEGFcGGT ILSEFYILTA AHcLYAKRFK DATA SEQUENCE VRVGDRNTEQ EEGGEAVHEV EVVIKHNRFT KETYDFDIAV LRLKTPITFR DATA SEQUENCE MNVAPACLER DWAESMTQKT GIVSGFGRTH EKGXRQSTRL KMLEVPYVDR DATA SEQUENCE NScKLSSSFI ITQNMFcAGT KQEDAcQGDS GGPHVTRFKD TYFVTGIVSW DATA SEQUENCE GEGXcARGKY GIYTKVTAFL KWIDRSMKTR GLPKAK 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 16 I HA 0.000 4.162 4.170 -0.013 0.000 0.288 16 I C 0.000 176.094 176.117 -0.038 0.000 1.063 16 I CA 0.000 61.288 61.300 -0.020 0.000 1.566 16 I CB 0.000 37.996 38.000 -0.006 0.000 1.214 17 V N 4.368 124.264 119.914 -0.031 0.000 2.472 17 V HA 0.249 4.356 4.120 -0.022 0.000 0.290 17 V C 0.269 176.370 176.094 0.013 0.000 1.037 17 V CA -1.657 60.632 62.300 -0.018 0.000 0.908 17 V CB 1.236 33.048 31.823 -0.019 0.000 0.985 17 V HN 0.670 8.851 8.190 -0.015 0.000 0.454 18 G N 6.561 115.375 108.800 0.023 0.000 2.101 18 G HA2 -0.378 3.597 3.960 0.026 0.000 0.247 18 G HA3 -0.378 3.882 3.960 0.029 -0.282 0.247 18 G C -1.006 173.905 174.900 0.019 0.000 0.740 18 G CA 1.134 46.249 45.100 0.025 0.000 1.130 18 G HN 0.517 8.825 8.290 0.030 0.000 0.342 19 G N -0.357 108.450 108.800 0.012 0.000 3.264 19 G HA2 0.611 4.578 3.960 0.012 0.000 0.168 19 G HA3 0.611 4.760 3.960 0.005 -0.186 0.168 19 G C -2.105 172.796 174.900 0.002 0.000 1.145 19 G CA -1.056 44.049 45.100 0.008 0.000 0.855 19 G HN -0.517 7.779 8.290 0.010 0.000 0.629 20 Q N -2.604 117.191 119.800 -0.008 0.000 3.022 20 Q HA 0.369 4.705 4.340 -0.007 0.000 0.313 20 Q C -1.601 174.381 176.000 -0.030 0.000 1.018 20 Q CA -1.505 54.290 55.803 -0.012 0.000 0.799 20 Q CB 2.667 31.399 28.738 -0.010 0.000 1.498 20 Q HN 0.210 8.474 8.270 -0.011 0.000 0.494 21 E N -1.769 118.409 120.200 -0.035 0.000 2.254 21 E HA 0.605 5.065 4.350 -0.074 -0.154 0.258 21 E C -0.414 176.141 176.600 -0.075 0.000 1.033 21 E CA -1.667 54.698 56.400 -0.058 0.000 0.893 21 E CB 2.608 32.282 29.700 -0.044 0.000 1.204 21 E HN 0.061 8.405 8.360 -0.027 0.000 0.425 22 c N 0.666 119.202 118.600 -0.108 0.000 2.330 22 c HA -0.014 4.487 4.570 -0.115 0.000 0.344 22 c C -0.865 173.160 174.090 -0.108 0.000 1.273 22 c CA 0.090 56.342 56.329 -0.129 0.000 1.879 22 c CB -0.635 41.761 42.510 -0.190 0.000 2.376 22 c HN 0.137 8.294 8.230 -0.122 0.000 0.534 23 K N 2.759 123.099 120.400 -0.100 0.000 2.138 23 K HA 0.093 4.375 4.320 -0.063 0.000 0.251 23 K C 0.135 176.675 176.600 -0.100 0.000 1.015 23 K CA -1.703 54.536 56.287 -0.080 0.000 0.917 23 K CB 0.626 33.086 32.500 -0.067 0.000 1.021 23 K HN -0.177 8.257 8.250 -0.103 -0.246 0.485 24 D N -0.905 119.447 120.400 -0.079 0.000 2.472 24 D HA -0.352 4.329 4.640 -0.096 -0.098 0.237 24 D C 1.378 177.609 176.300 -0.114 0.000 1.141 24 D CA 2.869 56.816 54.000 -0.088 0.000 0.875 24 D CB -0.016 40.748 40.800 -0.060 0.000 1.192 24 D HN 0.049 8.382 8.370 -0.061 0.000 0.450 25 G N 6.035 114.745 108.800 -0.149 0.000 2.417 25 G HA2 -0.413 3.433 3.960 -0.190 0.000 0.233 25 G HA3 -0.413 3.463 3.960 -0.141 0.000 0.233 25 G C -0.029 174.709 174.900 -0.271 0.000 1.103 25 G CA 0.622 45.612 45.100 -0.183 0.000 0.647 25 G HN 0.309 8.802 8.290 -0.149 -0.292 0.512 26 E N 1.438 121.489 120.200 -0.248 0.000 2.070 26 E HA -0.236 3.945 4.350 -0.282 0.000 0.197 26 E C -0.062 176.222 176.600 -0.527 0.000 1.004 26 E CA 2.322 58.537 56.400 -0.308 0.000 0.805 26 E CB 0.575 30.155 29.700 -0.201 0.000 0.744 26 E HN -0.255 7.765 8.360 -0.188 0.227 0.451 27 c N -2.631 115.628 118.600 -0.567 0.000 3.094 27 c HA 0.422 4.227 4.570 -1.276 0.000 0.262 27 c C -1.522 171.938 174.090 -1.049 0.000 1.459 27 c CA -2.920 52.879 56.329 -0.883 0.000 1.570 27 c CB -2.053 40.183 42.510 -0.457 0.000 2.056 27 c HN 0.057 8.035 8.230 -0.421 0.000 0.499 28 P HA 0.058 4.325 4.420 -0.439 -0.110 0.236 28 P C -0.541 176.475 177.300 -0.475 0.000 1.177 28 P CA 1.205 63.910 63.100 -0.658 0.000 0.773 28 P CB 0.364 31.768 31.700 -0.492 0.000 0.878 29 W N -4.357 116.878 121.300 -0.109 0.000 3.305 29 W HA 0.534 5.295 4.660 -0.075 -0.146 0.392 29 W C -1.471 175.033 176.519 -0.026 0.000 1.121 29 W CA -3.712 53.588 57.345 -0.075 0.000 1.909 29 W CB -1.800 27.607 29.460 -0.088 0.000 1.065 29 W HN -0.487 6.410 8.180 -2.047 0.056 0.714 30 Q N 2.782 122.589 119.800 0.012 0.000 2.256 30 Q HA 0.445 5.037 4.340 0.210 -0.126 0.254 30 Q C -1.827 174.246 176.000 0.123 0.000 0.916 30 Q CA -0.883 54.979 55.803 0.100 0.000 0.932 30 Q CB 2.058 30.774 28.738 -0.036 0.000 1.207 30 Q HN -0.832 7.202 8.270 -0.210 0.111 0.426 31 A N 5.394 128.303 122.820 0.150 0.000 2.413 31 A HA 0.716 5.226 4.320 0.126 -0.114 0.307 31 A C -2.633 175.033 177.584 0.137 0.000 1.087 31 A CA -2.211 49.902 52.037 0.127 0.000 0.750 31 A CB 3.601 22.658 19.000 0.095 0.000 1.296 31 A HN 0.628 8.872 8.150 0.156 0.000 0.423 32 L N 0.138 121.414 121.223 0.089 0.000 2.354 32 L HA 0.508 4.878 4.340 0.051 0.000 0.269 32 L C -2.278 174.542 176.870 -0.083 0.000 1.005 32 L CA -1.534 53.312 54.840 0.011 0.000 0.819 32 L CB 4.748 46.741 42.059 -0.110 0.000 1.311 32 L HN 0.383 8.657 8.230 0.073 0.000 0.423 33 L N 2.630 123.714 121.223 -0.233 0.000 2.322 33 L HA 0.727 5.182 4.340 -0.074 -0.159 0.281 33 L C -0.780 175.931 176.870 -0.264 0.000 1.014 33 L CA -1.442 53.213 54.840 -0.308 0.000 0.815 33 L CB 1.832 43.410 42.059 -0.802 0.000 1.247 33 L HN 0.355 8.412 8.230 -0.289 0.000 0.421 34 I N -2.772 117.829 120.570 0.052 0.000 2.648 34 I HA 0.908 5.365 4.170 0.185 -0.177 0.304 34 I C -1.402 174.993 176.117 0.463 0.000 1.009 34 I CA -2.942 58.475 61.300 0.196 0.000 1.114 34 I CB 2.672 40.731 38.000 0.098 0.000 1.293 34 I HN 0.754 9.047 8.210 0.139 0.000 0.449 35 N N 0.845 119.810 118.700 0.441 0.000 2.471 35 N HA 0.608 5.753 4.740 0.398 -0.167 0.288 35 N C 1.842 177.443 175.510 0.152 0.000 1.220 35 N CA -2.555 50.677 53.050 0.303 0.000 0.893 35 N CB 2.754 41.267 38.487 0.043 0.000 1.256 35 N HN 0.557 9.148 8.380 0.353 0.000 0.534 36 E N -0.772 119.483 120.200 0.092 0.000 2.368 36 E HA -0.418 3.960 4.350 0.048 0.000 0.222 36 E C 0.675 177.300 176.600 0.042 0.000 1.099 36 E CA 2.894 59.323 56.400 0.049 0.000 0.885 36 E CB -0.704 29.008 29.700 0.021 0.000 0.754 36 E HN 0.260 8.673 8.360 0.088 0.000 0.466 37 E N -2.382 117.846 120.200 0.046 0.000 2.496 37 E HA 0.079 4.445 4.350 0.027 0.000 0.202 37 E C -0.928 175.698 176.600 0.043 0.000 1.021 37 E CA -1.315 55.106 56.400 0.036 0.000 1.015 37 E CB -0.298 29.419 29.700 0.029 0.000 1.102 37 E HN -0.340 8.355 8.360 0.054 -0.303 0.452 38 N N -1.462 117.272 118.700 0.057 0.000 2.705 38 N HA -0.433 4.348 4.740 0.068 0.000 0.255 38 N C -1.652 173.883 175.510 0.043 0.000 1.008 38 N CA 1.934 55.014 53.050 0.050 0.000 0.742 38 N CB -1.459 37.042 38.487 0.024 0.000 0.906 38 N HN 0.321 8.574 8.380 0.068 0.168 0.541 39 E N -3.009 117.238 120.200 0.077 0.000 2.238 39 E HA 0.293 4.665 4.350 0.037 0.000 0.267 39 E C -1.443 175.232 176.600 0.125 0.000 0.887 39 E CA -1.635 54.810 56.400 0.075 0.000 0.769 39 E CB 4.608 34.357 29.700 0.082 0.000 1.187 39 E HN -1.012 7.415 8.360 0.112 0.000 0.416 40 G N 0.059 108.901 108.800 0.071 0.000 2.389 40 G HA2 0.415 4.608 3.960 0.072 0.000 0.317 40 G HA3 0.415 4.339 3.960 -0.060 0.000 0.317 40 G C -0.773 174.225 174.900 0.163 0.000 1.137 40 G CA -0.634 44.498 45.100 0.053 0.000 0.870 40 G HN 0.352 8.659 8.290 0.028 0.000 0.496 41 F N -0.817 119.140 119.950 0.011 0.000 2.640 41 F HA 0.394 4.946 4.527 0.041 0.000 0.285 41 F C -1.558 174.263 175.800 0.034 0.000 1.031 41 F CA -0.619 57.397 58.000 0.026 0.000 1.240 41 F CB 1.247 40.257 39.000 0.017 0.000 1.011 41 F HN -0.053 8.055 8.300 -0.321 0.000 0.656 42 c N -1.132 117.158 118.600 -0.517 0.000 3.028 42 c HA 0.663 5.247 4.570 -0.065 -0.052 0.338 42 c C -1.145 172.793 174.090 -0.253 0.000 1.366 42 c CA -0.884 55.269 56.329 -0.292 0.000 1.610 42 c CB 3.873 46.157 42.510 -0.376 0.000 2.063 42 c HN -0.758 6.774 8.230 -1.163 0.000 0.463 43 G N -1.171 107.560 108.800 -0.116 0.000 0.000 43 G HA2 0.813 4.853 3.960 -0.007 0.000 0.000 43 G HA3 0.813 4.811 3.960 0.063 0.000 0.000 43 G C -2.661 172.221 174.900 -0.030 0.000 0.000 43 G CA -1.541 43.550 45.100 -0.015 0.000 0.000 43 G HN 0.663 8.898 8.290 -0.092 0.000 0.000 44 G N -3.543 105.281 108.800 0.041 0.000 2.649 44 G HA2 0.769 4.978 3.960 0.038 0.000 0.290 44 G HA3 0.769 4.751 3.960 0.039 0.002 0.290 44 G C -2.703 172.269 174.900 0.119 0.000 1.426 44 G CA 0.009 45.141 45.100 0.055 0.000 0.794 44 G HN -0.002 8.272 8.290 0.086 0.068 0.483 45 T N 2.071 116.703 114.554 0.131 0.000 2.863 45 T HA 0.928 5.646 4.350 0.233 -0.228 0.285 45 T C -0.598 174.201 174.700 0.165 0.000 1.009 45 T CA -1.207 60.997 62.100 0.173 0.000 0.989 45 T CB 3.234 72.182 68.868 0.133 0.000 1.004 45 T HN 0.363 8.670 8.240 0.112 0.000 0.455 46 I N 4.277 124.962 120.570 0.191 0.000 2.365 46 I HA -0.047 4.224 4.170 0.168 0.000 0.291 46 I C -0.794 175.420 176.117 0.161 0.000 1.004 46 I CA 0.283 61.688 61.300 0.174 0.000 1.311 46 I CB 0.421 38.524 38.000 0.171 0.000 1.401 46 I HN 0.445 8.699 8.210 0.250 0.106 0.491 47 L N 4.712 126.045 121.223 0.182 0.000 2.547 47 L HA 0.323 4.728 4.340 0.109 0.000 0.218 47 L C 0.024 177.009 176.870 0.192 0.000 1.048 47 L CA 0.295 55.230 54.840 0.158 0.000 0.859 47 L CB 1.955 44.116 42.059 0.170 0.000 1.128 47 L HN 0.445 8.803 8.230 0.214 0.000 0.483 48 S N -2.873 112.998 115.700 0.285 0.000 2.843 48 S HA 0.167 4.885 4.470 0.413 0.000 0.301 48 S C -0.928 173.877 174.600 0.341 0.000 1.206 48 S CA -1.164 57.248 58.200 0.353 0.000 0.875 48 S CB 1.859 65.239 63.200 0.301 0.000 1.248 48 S HN -0.701 7.789 8.310 0.299 0.000 0.555 49 E N -2.292 117.935 120.200 0.044 0.000 2.427 49 E HA 0.008 4.120 4.350 -0.397 0.000 0.196 49 E C 0.270 176.628 176.600 -0.404 0.000 1.028 49 E CA 2.494 58.637 56.400 -0.428 0.000 0.864 49 E CB -0.084 29.113 29.700 -0.838 0.000 0.813 49 E HN 0.531 8.912 8.360 0.036 0.000 0.514 50 F N -2.033 117.956 119.950 0.064 0.000 2.680 50 F HA 0.117 4.551 4.527 -0.155 0.000 0.290 50 F C -0.992 174.644 175.800 -0.274 0.000 1.114 50 F CA 0.297 58.236 58.000 -0.103 0.000 1.333 50 F CB 1.949 40.880 39.000 -0.114 0.000 1.091 50 F HN -0.655 7.675 8.300 0.144 0.057 0.606 51 Y N -3.232 117.196 120.300 0.212 0.000 2.446 51 Y HA 0.875 5.734 4.550 0.141 -0.225 0.338 51 Y C -0.718 175.256 175.900 0.123 0.000 1.055 51 Y CA -1.713 56.477 58.100 0.150 0.000 1.101 51 Y CB 3.163 41.705 38.460 0.136 0.000 1.221 51 Y HN -0.229 8.391 8.280 0.566 0.000 0.460 52 I N -1.661 119.051 120.570 0.237 0.000 2.785 52 I HA 0.780 5.203 4.170 0.176 -0.148 0.302 52 I C -1.683 174.543 176.117 0.182 0.000 1.069 52 I CA -2.538 58.866 61.300 0.173 0.000 1.045 52 I CB 3.821 41.891 38.000 0.117 0.000 1.236 52 I HN 0.350 8.695 8.210 0.225 0.000 0.429 53 L N 3.732 125.044 121.223 0.149 0.000 2.362 53 L HA 0.777 5.346 4.340 0.156 -0.135 0.271 53 L C -1.853 175.062 176.870 0.074 0.000 1.002 53 L CA -1.349 53.572 54.840 0.135 0.000 0.818 53 L CB 4.190 46.337 42.059 0.146 0.000 1.298 53 L HN 0.605 8.917 8.230 0.137 0.000 0.420 54 T N 3.701 118.270 114.554 0.025 0.000 2.645 54 T HA 0.468 4.982 4.350 -0.037 -0.187 0.300 54 T C -2.382 172.242 174.700 -0.128 0.000 1.210 54 T CA -2.196 59.868 62.100 -0.060 0.000 1.034 54 T CB 2.640 71.444 68.868 -0.107 0.000 1.537 54 T HN 0.298 8.561 8.240 0.037 0.000 0.492 55 A N 1.107 123.779 122.820 -0.246 0.000 2.253 55 A HA 0.465 4.615 4.320 -0.284 0.000 0.316 55 A C 0.001 177.265 177.584 -0.535 0.000 1.327 55 A CA -2.280 49.521 52.037 -0.393 0.000 0.917 55 A CB 0.640 19.311 19.000 -0.548 0.000 1.162 55 A HN 0.443 8.435 8.150 -0.262 0.000 0.535 56 A N 8.245 130.768 122.820 -0.495 0.000 1.969 56 A HA -0.454 3.631 4.320 -0.391 0.000 0.223 56 A C 1.549 178.761 177.584 -0.620 0.000 1.218 56 A CA 3.316 54.990 52.037 -0.604 0.000 0.667 56 A CB -0.716 17.726 19.000 -0.931 0.000 0.826 56 A HN 0.921 8.875 8.150 -0.406 -0.048 0.472 57 H N -3.906 114.782 119.070 -0.636 0.000 2.387 57 H HA -0.358 4.199 4.556 0.001 0.000 0.299 57 H C 2.069 177.412 175.328 0.024 0.000 1.099 57 H CA 2.869 58.779 56.048 -0.230 0.000 1.315 57 H CB -1.196 28.339 29.762 -0.379 0.000 1.380 57 H HN -0.301 7.769 8.280 -0.820 -0.282 0.513 58 c N 0.370 118.854 118.600 -0.192 0.000 2.398 58 c HA -0.289 4.600 4.570 0.262 -0.161 0.282 58 c C 2.595 176.701 174.090 0.026 0.000 1.275 58 c CA 3.351 59.696 56.329 0.026 0.000 1.797 58 c CB -2.360 40.034 42.510 -0.193 0.000 1.991 58 c HN 0.393 8.142 8.230 -0.639 0.098 0.505 59 L N -1.999 119.133 121.223 -0.152 0.000 2.187 59 L HA -0.397 3.821 4.340 -0.202 0.000 0.213 59 L C 0.351 177.054 176.870 -0.279 0.000 1.100 59 L CA 2.565 57.246 54.840 -0.265 0.000 0.765 59 L CB -0.265 41.520 42.059 -0.457 0.000 0.904 59 L HN -0.540 7.417 8.230 -0.192 0.158 0.437 60 Y N -4.290 116.024 120.300 0.024 0.000 2.812 60 Y HA -0.020 4.547 4.550 0.028 0.000 0.354 60 Y C 0.317 176.203 175.900 -0.023 0.000 1.276 60 Y CA -1.453 56.664 58.100 0.029 0.000 1.639 60 Y CB -1.971 36.536 38.460 0.080 0.000 1.741 60 Y HN -0.325 7.891 8.280 0.170 0.165 0.479 61 A N 3.236 125.749 122.820 -0.511 0.000 2.695 61 A HA -0.267 3.855 4.320 -0.330 0.000 0.230 61 A C -0.206 177.295 177.584 -0.138 0.000 1.273 61 A CA 1.185 52.950 52.037 -0.452 0.000 1.081 61 A CB 0.536 19.051 19.000 -0.808 0.000 1.054 61 A HN -0.222 7.731 8.150 -0.327 0.000 0.515 62 K N -2.067 118.301 120.400 -0.054 0.000 2.348 62 K HA 0.060 4.391 4.320 0.018 0.000 0.194 62 K C 0.566 177.195 176.600 0.049 0.000 1.052 62 K CA 0.411 56.704 56.287 0.010 0.000 1.004 62 K CB 1.485 33.984 32.500 -0.001 0.000 0.873 62 K HN -0.133 8.504 8.250 -0.073 -0.431 0.523 63 R N 0.081 120.622 120.500 0.068 0.000 2.538 63 R HA 0.276 4.607 4.340 -0.015 0.000 0.292 63 R C -2.636 173.764 176.300 0.168 0.000 1.008 63 R CA -0.847 55.280 56.100 0.044 0.000 0.896 63 R CB 3.550 33.853 30.300 0.005 0.000 1.187 63 R HN -0.302 8.306 8.270 0.052 -0.307 0.440 64 F N 1.803 121.803 119.950 0.082 0.000 2.662 64 F HA 0.931 5.682 4.527 0.181 -0.115 0.312 64 F C -2.605 173.259 175.800 0.108 0.000 1.113 64 F CA -1.676 56.429 58.000 0.174 0.000 0.951 64 F CB 3.022 42.257 39.000 0.391 0.000 1.344 64 F HN 0.022 8.141 8.300 -0.302 0.000 0.462 65 K N -2.114 118.459 120.400 0.289 0.000 2.409 65 K HA 0.366 4.692 4.320 0.010 0.000 0.252 65 K C -1.931 174.817 176.600 0.248 0.000 1.036 65 K CA -1.651 54.720 56.287 0.140 0.000 0.871 65 K CB 4.468 37.014 32.500 0.076 0.000 1.374 65 K HN 0.365 8.862 8.250 0.412 0.000 0.459 66 V N -1.101 118.920 119.914 0.179 0.000 2.555 66 V HA 0.592 4.939 4.120 0.128 -0.151 0.302 66 V C -1.493 174.681 176.094 0.134 0.000 1.038 66 V CA -1.141 61.250 62.300 0.151 0.000 0.887 66 V CB 2.168 34.075 31.823 0.140 0.000 0.991 66 V HN -0.019 8.261 8.190 0.150 0.000 0.434 67 R N 5.294 125.847 120.500 0.090 0.000 2.670 67 R HA 0.997 5.600 4.340 0.136 -0.181 0.289 67 R C -1.883 174.470 176.300 0.088 0.000 0.965 67 R CA -1.804 54.347 56.100 0.086 0.000 0.899 67 R CB 3.642 33.951 30.300 0.014 0.000 1.173 67 R HN 0.826 9.131 8.270 0.059 0.000 0.456 68 V N -0.934 119.045 119.914 0.109 0.000 3.158 68 V HA 0.638 4.819 4.120 0.102 0.000 0.311 68 V C -0.311 175.836 176.094 0.089 0.000 1.181 68 V CA -2.874 59.486 62.300 0.099 0.000 1.054 68 V CB 3.488 35.367 31.823 0.093 0.000 1.085 68 V HN 0.544 8.814 8.190 0.132 0.000 0.446 69 G N -0.812 108.033 108.800 0.074 0.000 2.350 69 G HA2 -0.560 3.567 3.960 0.027 0.000 0.298 69 G HA3 -0.560 3.430 3.960 0.051 0.000 0.298 69 G C -2.238 172.699 174.900 0.060 0.000 1.037 69 G CA 1.218 46.349 45.100 0.052 0.000 1.074 69 G HN 0.584 8.913 8.290 0.066 0.000 0.511 70 D N -2.273 118.188 120.400 0.102 0.000 2.857 70 D HA 0.155 4.840 4.640 0.075 0.000 0.227 70 D C -1.211 175.242 176.300 0.255 0.000 1.192 70 D CA -1.409 52.662 54.000 0.120 0.000 0.857 70 D CB 2.802 43.628 40.800 0.043 0.000 1.645 70 D HN -0.462 7.987 8.370 0.133 0.000 0.482 71 R N 1.257 121.885 120.500 0.213 0.000 2.541 71 R HA 0.140 4.680 4.340 0.333 0.000 0.332 71 R C -1.223 175.260 176.300 0.305 0.000 0.951 71 R CA -0.295 55.955 56.100 0.250 0.000 1.136 71 R CB 1.070 31.410 30.300 0.067 0.000 1.449 71 R HN 0.363 8.712 8.270 0.133 0.000 0.531 72 N N -0.784 118.063 118.700 0.245 0.000 2.675 72 N HA 0.459 5.448 4.740 0.219 -0.118 0.254 72 N C 0.053 175.597 175.510 0.057 0.000 1.224 72 N CA -0.423 52.725 53.050 0.163 0.000 0.777 72 N CB 0.524 39.062 38.487 0.084 0.000 1.256 72 N HN -0.825 7.853 8.380 0.180 -0.191 0.531 73 T N 3.783 118.327 114.554 -0.017 0.000 2.771 73 T HA -0.481 3.792 4.350 -0.308 -0.107 0.262 73 T C 1.345 176.005 174.700 -0.066 0.000 1.027 73 T CA 3.810 65.812 62.100 -0.163 0.000 1.159 73 T CB -0.075 68.707 68.868 -0.144 0.000 0.844 73 T HN 0.590 8.897 8.240 0.111 0.000 0.478 74 E N -0.397 119.796 120.200 -0.011 0.000 2.405 74 E HA 0.104 4.446 4.350 -0.014 0.000 0.214 74 E C -0.851 175.750 176.600 0.002 0.000 1.101 74 E CA -0.301 56.097 56.400 -0.004 0.000 1.254 74 E CB -0.668 29.039 29.700 0.011 0.000 1.240 74 E HN 0.175 8.520 8.360 0.015 0.023 0.439 75 Q N -1.380 118.419 119.800 -0.002 0.000 2.630 75 Q HA 0.172 4.514 4.340 0.003 0.000 0.295 75 Q C -2.531 173.469 176.000 0.000 0.000 0.944 75 Q CA -0.839 54.967 55.803 0.004 0.000 0.766 75 Q CB 3.748 32.496 28.738 0.016 0.000 1.471 75 Q HN -0.310 7.876 8.270 -0.014 0.076 0.416 76 E N 0.448 120.650 120.200 0.003 0.000 2.224 76 E HA 0.297 4.648 4.350 0.002 0.000 0.265 76 E C -1.104 175.500 176.600 0.006 0.000 0.878 76 E CA -0.600 55.801 56.400 0.002 0.000 0.759 76 E CB 1.763 31.462 29.700 -0.002 0.000 1.164 76 E HN 0.349 8.711 8.360 0.004 0.000 0.414 77 E N 3.787 123.993 120.200 0.010 0.000 2.434 77 E HA 0.054 4.408 4.350 0.007 0.000 0.207 77 E C -0.190 176.414 176.600 0.006 0.000 0.929 77 E CA -0.118 56.288 56.400 0.009 0.000 1.001 77 E CB 0.853 30.561 29.700 0.013 0.000 1.016 77 E HN 0.509 8.876 8.360 0.012 0.000 0.502 78 G N -2.175 106.629 108.800 0.007 0.000 2.340 78 G HA2 -0.158 3.804 3.960 0.004 0.000 0.527 78 G HA3 -0.158 3.804 3.960 0.004 0.000 0.527 78 G C -0.330 174.576 174.900 0.011 0.000 1.381 78 G CA -0.880 44.224 45.100 0.006 0.000 1.001 78 G HN -0.414 7.881 8.290 0.009 0.000 0.626 79 G N 0.552 109.360 108.800 0.013 0.000 5.353 79 G HA2 -0.368 3.607 3.960 0.025 0.000 0.283 79 G HA3 -0.368 3.605 3.960 0.023 0.000 0.283 79 G C -0.771 174.148 174.900 0.031 0.000 1.457 79 G CA -0.252 44.862 45.100 0.023 0.000 0.951 79 G HN 0.104 8.400 8.290 0.009 0.000 0.731 80 E N 5.076 125.295 120.200 0.030 0.000 1.886 80 E HA -0.469 4.237 4.350 0.043 -0.331 0.334 80 E C -1.044 175.575 176.600 0.032 0.000 0.614 80 E CA 0.545 56.964 56.400 0.031 0.000 1.244 80 E CB -0.433 29.275 29.700 0.013 0.000 0.539 80 E HN -0.144 8.187 8.360 0.027 0.046 0.399 81 A N 5.846 128.706 122.820 0.066 0.000 2.337 81 A HA 0.427 4.742 4.320 -0.008 0.000 0.331 81 A C -2.232 175.403 177.584 0.084 0.000 1.137 81 A CA -1.095 50.975 52.037 0.055 0.000 0.807 81 A CB 2.812 21.901 19.000 0.148 0.000 1.250 81 A HN 0.152 8.356 8.150 0.091 0.000 0.468 82 V N 0.791 120.690 119.914 -0.024 0.000 2.656 82 V HA 0.677 5.050 4.120 0.123 -0.179 0.307 82 V C -0.453 175.569 176.094 -0.121 0.000 1.051 82 V CA -1.026 61.286 62.300 0.021 0.000 0.893 82 V CB 3.417 35.231 31.823 -0.015 0.000 0.999 82 V HN 0.193 8.300 8.190 -0.139 0.000 0.426 83 H N 4.735 123.811 119.070 0.011 0.000 2.834 83 H HA 0.456 5.010 4.556 -0.004 0.000 0.369 83 H C -1.352 173.971 175.328 -0.008 0.000 1.174 83 H CA -1.542 54.508 56.048 0.003 0.000 1.165 83 H CB 4.118 33.888 29.762 0.014 0.000 1.820 83 H HN 0.772 9.192 8.280 0.233 0.000 0.558 84 E N -0.573 119.672 120.200 0.075 0.000 2.243 84 E HA 0.326 4.662 4.350 -0.023 0.000 0.260 84 E C -1.771 174.821 176.600 -0.013 0.000 0.985 84 E CA -1.324 55.072 56.400 -0.006 0.000 0.858 84 E CB 2.992 32.667 29.700 -0.041 0.000 1.210 84 E HN 0.511 8.917 8.360 0.076 0.000 0.411 85 V N -1.059 118.798 119.914 -0.094 0.000 2.837 85 V HA 0.040 4.227 4.120 -0.047 -0.095 0.310 85 V C -0.708 175.330 176.094 -0.093 0.000 1.059 85 V CA 0.082 62.324 62.300 -0.096 0.000 1.004 85 V CB 1.059 32.772 31.823 -0.184 0.000 1.045 85 V HN 0.477 8.575 8.190 -0.154 0.000 0.465 86 E N 3.533 123.683 120.200 -0.084 0.000 2.520 86 E HA 0.281 4.585 4.350 -0.077 0.000 0.201 86 E C -0.253 176.301 176.600 -0.075 0.000 0.894 86 E CA 0.371 56.722 56.400 -0.082 0.000 1.161 86 E CB 3.033 32.676 29.700 -0.094 0.000 1.137 86 E HN 0.613 8.924 8.360 -0.082 0.000 0.510 87 V N -1.137 118.734 119.914 -0.073 0.000 2.888 87 V HA 0.233 4.333 4.120 -0.035 0.000 0.309 87 V C -2.939 173.150 176.094 -0.010 0.000 1.114 87 V CA -0.780 61.495 62.300 -0.041 0.000 0.940 87 V CB 4.455 36.250 31.823 -0.046 0.000 1.021 87 V HN -0.540 7.596 8.190 -0.089 0.000 0.426 88 V N 5.506 125.435 119.914 0.025 0.000 2.638 88 V HA 0.732 5.038 4.120 0.086 -0.134 0.306 88 V C -2.148 173.999 176.094 0.088 0.000 1.052 88 V CA -1.782 60.563 62.300 0.075 0.000 0.885 88 V CB 3.267 35.154 31.823 0.107 0.000 0.999 88 V HN 0.115 8.316 8.190 0.019 0.000 0.424 89 I N 9.032 129.677 120.570 0.124 0.000 2.377 89 I HA 0.289 4.534 4.170 0.125 0.000 0.293 89 I C -1.724 174.546 176.117 0.255 0.000 0.987 89 I CA -1.125 60.270 61.300 0.159 0.000 1.185 89 I CB 1.967 40.015 38.000 0.080 0.000 1.341 89 I HN 0.643 8.938 8.210 0.142 0.000 0.455 90 K N 6.216 126.760 120.400 0.240 0.000 2.316 90 K HA 0.284 4.686 4.320 0.137 0.000 0.251 90 K C -1.393 175.356 176.600 0.248 0.000 0.934 90 K CA -1.996 54.396 56.287 0.176 0.000 0.802 90 K CB 3.086 35.641 32.500 0.091 0.000 1.171 90 K HN 0.394 8.771 8.250 0.211 0.000 0.426 91 H N 5.871 124.952 119.070 0.018 0.000 2.929 91 H HA -0.059 4.607 4.556 0.183 0.000 0.317 91 H C 0.987 176.371 175.328 0.093 0.000 1.031 91 H CA 1.746 57.768 56.048 -0.042 0.000 1.466 91 H CB 1.265 30.806 29.762 -0.368 0.000 1.482 91 H HN 0.020 8.318 8.280 0.029 0.000 0.561 92 N N 5.536 124.289 118.700 0.089 0.000 2.575 92 N HA -0.115 4.722 4.740 0.162 0.000 0.192 92 N C 0.767 176.352 175.510 0.125 0.000 1.200 92 N CA 1.102 54.229 53.050 0.128 0.000 0.897 92 N CB 0.003 38.530 38.487 0.067 0.000 0.990 92 N HN 0.527 8.850 8.380 -0.094 0.000 0.449 93 R N -2.339 118.282 120.500 0.203 0.000 2.652 93 R HA 0.148 4.391 4.340 -0.160 0.000 0.372 93 R C -1.604 174.660 176.300 -0.060 0.000 1.104 93 R CA -1.525 54.442 56.100 -0.221 0.000 1.072 93 R CB -0.476 29.127 30.300 -1.162 0.000 1.367 93 R HN -0.542 7.990 8.270 0.601 0.098 0.577 94 F N 3.485 123.450 119.950 0.024 0.000 2.444 94 F HA 0.165 4.979 4.527 0.125 -0.212 0.360 94 F C -1.225 174.600 175.800 0.042 0.000 1.106 94 F CA -1.491 56.553 58.000 0.074 0.000 1.170 94 F CB 1.190 40.241 39.000 0.085 0.000 1.113 94 F HN -0.820 7.569 8.300 0.303 0.092 0.521 95 T N 6.124 120.312 114.554 -0.611 0.000 2.788 95 T HA 0.370 4.438 4.350 -0.470 0.000 0.296 95 T C 0.771 174.936 174.700 -0.891 0.000 1.009 95 T CA -2.215 59.544 62.100 -0.568 0.000 0.949 95 T CB 1.332 70.063 68.868 -0.228 0.000 0.946 95 T HN -0.078 7.945 8.240 -0.362 0.000 0.453 96 K N 6.299 126.146 120.400 -0.920 0.000 2.173 96 K HA -0.375 3.444 4.320 -0.834 0.000 0.207 96 K C 1.409 177.867 176.600 -0.237 0.000 1.046 96 K CA 3.005 58.917 56.287 -0.625 0.000 0.929 96 K CB -0.565 31.695 32.500 -0.400 0.000 0.720 96 K HN 0.743 8.553 8.250 -0.733 0.000 0.453 97 E N -3.154 116.891 120.200 -0.258 0.000 2.299 97 E HA -0.124 4.084 4.350 -0.236 0.000 0.193 97 E C 0.322 176.772 176.600 -0.251 0.000 0.998 97 E CA 1.975 58.242 56.400 -0.222 0.000 0.851 97 E CB 0.174 29.767 29.700 -0.178 0.000 0.795 97 E HN 0.085 8.220 8.360 -0.303 0.043 0.492 98 T N -1.285 113.159 114.554 -0.184 0.000 2.978 98 T HA 0.010 4.208 4.350 -0.253 0.000 0.248 98 T C -0.513 174.173 174.700 -0.023 0.000 1.018 98 T CA 0.591 62.602 62.100 -0.148 0.000 1.026 98 T CB 1.639 70.480 68.868 -0.044 0.000 1.032 98 T HN -0.312 7.685 8.240 -0.205 0.121 0.485 99 Y N -3.775 116.408 120.300 -0.195 0.000 3.689 99 Y HA -0.448 4.341 4.550 0.398 0.000 0.221 99 Y C -2.322 173.717 175.900 0.232 0.000 1.247 99 Y CA 1.068 59.239 58.100 0.119 0.000 1.671 99 Y CB -2.551 35.917 38.460 0.014 0.000 1.521 99 Y HN 0.202 8.488 8.280 0.010 0.000 0.632 100 D N -2.024 118.552 120.400 0.293 0.000 2.253 100 D HA 0.077 4.871 4.640 0.257 0.000 0.249 100 D C -0.073 176.469 176.300 0.404 0.000 1.049 100 D CA -1.338 52.836 54.000 0.290 0.000 0.929 100 D CB 1.738 42.699 40.800 0.268 0.000 1.176 100 D HN -0.992 7.454 8.370 0.154 0.017 0.437 101 F N -3.726 116.304 119.950 0.133 0.000 2.969 101 F HA -0.333 4.071 4.527 -0.203 0.000 0.273 101 F C -1.293 174.453 175.800 -0.089 0.000 0.986 101 F CA 1.305 59.237 58.000 -0.114 0.000 0.926 101 F CB -0.680 38.184 39.000 -0.227 0.000 0.887 101 F HN 0.779 9.059 8.300 -0.033 0.000 0.816 102 D N 0.136 120.560 120.400 0.039 0.000 2.524 102 D HA 0.116 4.694 4.640 -0.103 0.000 0.222 102 D C -1.956 174.183 176.300 -0.268 0.000 1.142 102 D CA -0.457 53.521 54.000 -0.036 0.000 0.973 102 D CB -0.384 40.515 40.800 0.166 0.000 1.025 102 D HN 0.134 8.530 8.370 0.043 0.000 0.519 103 I N 2.735 123.070 120.570 -0.392 0.000 2.842 103 I HA 0.580 4.746 4.170 -0.247 -0.144 0.297 103 I C -3.353 172.632 176.117 -0.219 0.000 1.380 103 I CA -1.248 59.836 61.300 -0.359 0.000 1.018 103 I CB 4.068 41.683 38.000 -0.642 0.000 1.311 103 I HN -0.597 7.392 8.210 -0.367 0.000 0.439 104 A N 5.372 128.166 122.820 -0.043 0.000 2.594 104 A HA 0.709 5.278 4.320 0.280 -0.081 0.295 104 A C -3.047 174.655 177.584 0.197 0.000 1.071 104 A CA -0.923 51.185 52.037 0.119 0.000 0.685 104 A CB 3.788 22.784 19.000 -0.007 0.000 1.285 104 A HN 0.037 8.166 8.150 -0.035 0.000 0.405 105 V N 0.063 120.138 119.914 0.269 0.000 2.769 105 V HA 0.783 5.182 4.120 0.219 -0.148 0.312 105 V C -1.382 174.837 176.094 0.207 0.000 1.061 105 V CA -1.558 60.891 62.300 0.248 0.000 0.931 105 V CB 3.595 35.582 31.823 0.272 0.000 1.010 105 V HN 0.442 8.713 8.190 0.302 0.101 0.433 106 L N 2.454 123.790 121.223 0.188 0.000 2.342 106 L HA 0.539 4.946 4.340 0.111 0.000 0.271 106 L C -1.527 175.341 176.870 -0.003 0.000 1.008 106 L CA -1.465 53.444 54.840 0.116 0.000 0.818 106 L CB 2.703 44.845 42.059 0.139 0.000 1.296 106 L HN 0.875 9.118 8.230 0.206 0.111 0.427 107 R N 1.368 121.794 120.500 -0.123 0.000 2.437 107 R HA 0.715 4.763 4.340 -0.781 -0.176 0.310 107 R C -1.517 174.660 176.300 -0.205 0.000 0.955 107 R CA -1.552 54.292 56.100 -0.426 0.000 0.851 107 R CB 3.062 33.119 30.300 -0.404 0.000 1.161 107 R HN 0.623 8.861 8.270 -0.053 0.000 0.446 108 L N 5.319 126.446 121.223 -0.160 0.000 2.448 108 L HA 0.361 4.798 4.340 -0.024 -0.111 0.258 108 L C -0.563 176.301 176.870 -0.009 0.000 1.104 108 L CA -0.480 54.345 54.840 -0.025 0.000 0.800 108 L CB 1.067 43.151 42.059 0.042 0.000 1.241 108 L HN 0.459 8.560 8.230 -0.215 0.000 0.472 109 K N -1.797 118.624 120.400 0.035 0.000 2.242 109 K HA 0.221 4.755 4.320 -0.026 -0.229 0.200 109 K C 0.028 176.683 176.600 0.092 0.000 1.050 109 K CA 1.046 57.345 56.287 0.021 0.000 0.981 109 K CB 1.716 34.215 32.500 -0.003 0.000 0.795 109 K HN -0.164 8.122 8.250 0.058 0.000 0.477 110 T N -2.494 112.154 114.554 0.156 0.000 2.824 110 T HA 0.495 4.941 4.350 0.160 0.000 0.282 110 T C -2.346 172.499 174.700 0.241 0.000 0.993 110 T CA -3.519 58.686 62.100 0.175 0.000 0.967 110 T CB 0.824 69.743 68.868 0.085 0.000 0.960 110 T HN -0.482 7.868 8.240 0.183 0.000 0.441 111 P HA 0.306 4.803 4.420 -0.176 -0.182 0.272 111 P C -0.865 176.383 177.300 -0.086 0.000 1.240 111 P CA -0.735 62.279 63.100 -0.144 0.000 0.791 111 P CB 1.038 32.492 31.700 -0.411 0.000 0.978 112 I N -0.162 120.234 120.570 -0.290 0.000 2.440 112 I HA 0.055 4.227 4.170 0.002 0.000 0.294 112 I C -0.228 175.671 176.117 -0.364 0.000 0.995 112 I CA -0.355 60.802 61.300 -0.239 0.000 1.306 112 I CB 0.985 38.833 38.000 -0.254 0.000 1.407 112 I HN 0.089 7.924 8.210 -0.432 0.115 0.501 113 T N 8.545 123.005 114.554 -0.157 0.000 2.910 113 T HA 0.146 4.333 4.350 -0.272 0.000 0.323 113 T C -0.893 173.787 174.700 -0.033 0.000 1.091 113 T CA -0.870 61.139 62.100 -0.152 0.000 0.960 113 T CB -0.242 68.601 68.868 -0.041 0.000 1.024 113 T HN 0.179 8.413 8.240 -0.010 0.000 0.509 114 F N 7.451 127.384 119.950 -0.028 0.000 2.553 114 F HA -0.162 4.421 4.527 -0.023 -0.070 0.356 114 F C 0.298 176.086 175.800 -0.019 0.000 1.142 114 F CA 0.687 58.672 58.000 -0.024 0.000 1.322 114 F CB 0.193 39.178 39.000 -0.024 0.000 1.126 114 F HN 0.183 8.166 8.300 -0.528 0.000 0.599 115 R N -0.355 120.256 120.500 0.185 0.000 3.061 115 R HA 0.120 4.508 4.340 0.081 0.000 0.265 115 R C -2.227 174.091 176.300 0.031 0.000 1.003 115 R CA -1.373 54.777 56.100 0.083 0.000 0.871 115 R CB 1.328 31.664 30.300 0.060 0.000 1.458 115 R HN 0.466 8.733 8.270 0.172 0.106 0.431 116 M N 1.375 120.979 119.600 0.008 0.000 2.290 116 M HA -0.289 4.168 4.480 -0.038 0.000 0.356 116 M C -0.709 175.570 176.300 -0.035 0.000 1.448 116 M CA 0.574 55.860 55.300 -0.023 0.000 0.993 116 M CB -1.007 31.581 32.600 -0.020 0.000 1.934 116 M HN 0.191 8.489 8.290 0.014 0.000 0.461 117 N N -1.182 117.471 118.700 -0.079 0.000 2.776 117 N HA -0.320 4.313 4.740 -0.178 0.000 0.250 117 N C -1.911 173.541 175.510 -0.097 0.000 1.112 117 N CA 1.727 54.709 53.050 -0.114 0.000 0.733 117 N CB -0.587 37.854 38.487 -0.078 0.000 1.097 117 N HN 0.355 8.678 8.380 -0.094 0.000 0.558 118 V N -3.402 116.469 119.914 -0.071 0.000 2.637 118 V HA 0.317 4.615 4.120 -0.047 -0.207 0.274 118 V C -1.982 174.077 176.094 -0.059 0.000 1.004 118 V CA -0.598 61.694 62.300 -0.014 0.000 0.894 118 V CB 1.611 33.492 31.823 0.097 0.000 1.046 118 V HN -0.073 8.048 8.190 -0.069 0.028 0.467 119 A N 6.447 129.155 122.820 -0.188 0.000 2.515 119 A HA 0.761 4.618 4.320 -0.771 0.000 0.296 119 A C -3.548 173.850 177.584 -0.311 0.000 1.094 119 A CA -3.060 48.734 52.037 -0.405 0.000 0.718 119 A CB 2.257 21.106 19.000 -0.252 0.000 1.307 119 A HN 0.437 8.336 8.150 -0.171 0.147 0.408 120 P HA 0.144 4.697 4.420 0.013 -0.126 0.277 120 P C -1.341 176.009 177.300 0.083 0.000 1.271 120 P CA -0.904 62.123 63.100 -0.121 0.000 0.795 120 P CB 1.535 33.111 31.700 -0.205 0.000 1.101 121 A N -2.137 120.696 122.820 0.022 0.000 2.337 121 A HA 0.294 4.433 4.320 -0.301 0.000 0.331 121 A C -0.882 176.604 177.584 -0.163 0.000 1.137 121 A CA -1.613 50.285 52.037 -0.233 0.000 0.807 121 A CB 2.853 21.563 19.000 -0.484 0.000 1.250 121 A HN -0.177 7.992 8.150 0.032 0.000 0.468 122 C N 0.415 119.567 119.300 -0.246 0.000 2.398 122 C HA 0.268 4.699 4.460 -0.048 0.000 0.364 122 C C -0.242 174.820 174.990 0.119 0.000 1.219 122 C CA 0.520 59.472 59.018 -0.111 0.000 2.312 122 C CB 0.808 28.354 27.740 -0.323 0.000 2.428 122 C HN -0.064 7.925 8.230 -0.401 0.000 0.564 123 L N -0.552 120.781 121.223 0.183 0.000 2.492 123 L HA 0.312 4.783 4.340 0.218 0.000 0.263 123 L C -1.020 176.024 176.870 0.290 0.000 1.062 123 L CA -0.405 54.564 54.840 0.214 0.000 0.817 123 L CB 1.302 43.444 42.059 0.138 0.000 1.441 123 L HN 0.188 8.498 8.230 0.133 0.000 0.493 124 E N 0.072 120.311 120.200 0.065 0.000 2.244 124 E HA 0.229 4.609 4.350 0.051 0.000 0.260 124 E C -0.349 176.288 176.600 0.062 0.000 0.884 124 E CA -1.278 55.152 56.400 0.049 0.000 0.777 124 E CB 2.221 31.927 29.700 0.009 0.000 1.197 124 E HN -0.139 8.270 8.360 0.082 0.000 0.416 125 R N 5.026 125.548 120.500 0.037 0.000 2.386 125 R HA -0.589 3.746 4.340 -0.009 0.000 0.194 125 R C 0.758 177.046 176.300 -0.020 0.000 1.052 125 R CA 4.188 60.290 56.100 0.003 0.000 0.564 125 R CB -0.263 30.039 30.300 0.003 0.000 0.826 125 R HN 0.468 8.764 8.270 0.043 0.000 0.304 126 D N -0.503 119.889 120.400 -0.013 0.000 2.204 126 D HA -0.399 4.200 4.640 -0.069 0.000 0.189 126 D C 1.947 178.215 176.300 -0.053 0.000 1.006 126 D CA 3.192 57.171 54.000 -0.034 0.000 0.855 126 D CB -0.844 39.951 40.800 -0.008 0.000 0.946 126 D HN 0.145 8.514 8.370 -0.002 0.000 0.448 127 W N 1.097 122.294 121.300 -0.171 0.000 2.321 127 W HA -0.396 4.130 4.660 -0.224 0.000 0.306 127 W C 1.414 177.758 176.519 -0.293 0.000 1.217 127 W CA 4.013 61.216 57.345 -0.237 0.000 1.257 127 W CB -0.378 28.926 29.460 -0.260 0.000 1.145 127 W HN -0.428 7.838 8.180 0.143 0.000 0.509 128 A N -2.087 120.646 122.820 -0.146 0.000 1.865 128 A HA -0.478 3.552 4.320 -0.482 0.000 0.217 128 A C 2.012 179.353 177.584 -0.405 0.000 1.191 128 A CA 3.082 54.932 52.037 -0.313 0.000 0.623 128 A CB -1.030 17.890 19.000 -0.135 0.000 0.826 128 A HN -0.489 7.592 8.150 0.038 0.091 0.444 129 E N -0.920 119.102 120.200 -0.296 0.000 2.033 129 E HA -0.305 3.859 4.350 -0.309 0.000 0.199 129 E C 2.499 178.889 176.600 -0.350 0.000 1.011 129 E CA 2.258 58.481 56.400 -0.294 0.000 0.815 129 E CB -0.287 29.290 29.700 -0.206 0.000 0.755 129 E HN 0.022 8.189 8.360 -0.211 0.066 0.451 130 S N -2.881 112.601 115.700 -0.364 0.000 3.009 130 S HA -0.019 4.273 4.470 -0.295 0.000 0.243 130 S C 0.845 175.150 174.600 -0.493 0.000 1.012 130 S CA 0.265 58.242 58.200 -0.372 0.000 1.113 130 S CB -0.661 62.357 63.200 -0.303 0.000 0.827 130 S HN -0.127 7.982 8.310 -0.334 0.000 0.495 131 M N -2.474 116.836 119.600 -0.484 0.000 2.808 131 M HA -0.477 3.304 4.480 -1.165 0.000 0.153 131 M C 0.257 176.160 176.300 -0.662 0.000 0.687 131 M CA 2.621 57.468 55.300 -0.755 0.000 0.572 131 M CB -2.783 29.429 32.600 -0.647 0.000 2.099 131 M HN 0.507 8.505 8.290 -0.487 0.000 0.295 132 T N -2.490 111.821 114.554 -0.404 0.000 3.176 132 T HA 0.196 4.380 4.350 -0.278 0.000 0.263 132 T C -0.874 173.750 174.700 -0.128 0.000 1.021 132 T CA -0.568 61.374 62.100 -0.265 0.000 0.905 132 T CB -0.281 68.447 68.868 -0.234 0.000 1.057 132 T HN -0.014 7.994 8.240 -0.386 0.000 0.558 133 Q N 0.868 120.637 119.800 -0.051 0.000 2.414 133 Q HA -0.069 4.283 4.340 0.019 0.000 0.206 133 Q C 0.085 176.181 176.000 0.161 0.000 1.058 133 Q CA 0.157 56.004 55.803 0.074 0.000 1.025 133 Q CB 1.338 30.159 28.738 0.138 0.000 1.196 133 Q HN -0.743 7.261 8.270 -0.118 0.195 0.586 134 K N -0.576 119.881 120.400 0.096 0.000 2.323 134 K HA -0.026 4.354 4.320 0.100 0.000 0.197 134 K C -0.433 176.180 176.600 0.021 0.000 1.043 134 K CA 1.224 57.555 56.287 0.073 0.000 0.997 134 K CB 0.583 33.094 32.500 0.018 0.000 0.807 134 K HN 0.366 8.649 8.250 0.056 0.000 0.497 135 T N -4.977 109.539 114.554 -0.064 0.000 2.816 135 T HA 0.178 4.354 4.350 -0.402 -0.068 0.299 135 T C -1.672 172.788 174.700 -0.400 0.000 1.230 135 T CA -1.272 60.668 62.100 -0.266 0.000 1.007 135 T CB 2.589 71.381 68.868 -0.127 0.000 1.289 135 T HN -0.746 7.489 8.240 -0.008 0.000 0.508 136 G N 0.013 108.532 108.800 -0.469 0.000 2.730 136 G HA2 0.918 4.678 3.960 -0.334 0.000 0.289 136 G HA3 0.918 4.591 3.960 -0.478 0.000 0.289 136 G C -2.823 171.883 174.900 -0.324 0.000 1.341 136 G CA -1.368 43.469 45.100 -0.437 0.000 0.932 136 G HN 0.522 8.573 8.290 -0.399 0.000 0.481 137 I N -2.152 118.184 120.570 -0.391 0.000 2.647 137 I HA 0.634 4.886 4.170 -0.089 -0.136 0.295 137 I C -2.326 173.698 176.117 -0.155 0.000 1.078 137 I CA -0.988 60.225 61.300 -0.146 0.000 1.048 137 I CB 4.587 42.598 38.000 0.019 0.000 1.239 137 I HN 0.553 8.304 8.210 -0.590 0.105 0.421 138 V N 5.106 125.019 119.914 -0.002 0.000 3.074 138 V HA 0.922 5.257 4.120 0.080 -0.167 0.314 138 V C -2.320 173.829 176.094 0.092 0.000 1.117 138 V CA -3.393 58.963 62.300 0.094 0.000 1.014 138 V CB 4.337 36.292 31.823 0.219 0.000 1.057 138 V HN 0.796 8.998 8.190 0.020 0.000 0.438 139 S N 1.453 117.215 115.700 0.103 0.000 2.671 139 S HA 0.791 5.366 4.470 -0.001 -0.105 0.277 139 S C -1.461 173.142 174.600 0.006 0.000 1.165 139 S CA -1.823 56.393 58.200 0.026 0.000 0.822 139 S CB 3.410 66.619 63.200 0.014 0.000 1.150 139 S HN -0.102 8.293 8.310 0.142 0.000 0.479 140 G N -2.280 106.457 108.800 -0.104 0.000 2.316 140 G HA2 0.220 4.303 3.960 -0.047 0.000 0.296 140 G HA3 0.220 4.320 3.960 0.017 -0.130 0.296 140 G C -2.498 172.288 174.900 -0.190 0.000 1.399 140 G CA 0.749 45.802 45.100 -0.078 0.000 0.833 140 G HN 0.111 8.290 8.290 -0.185 0.000 0.565 141 F N -0.873 119.086 119.950 0.016 0.000 2.661 141 F HA 0.623 5.302 4.527 0.013 -0.144 0.306 141 F C -0.209 175.603 175.800 0.019 0.000 1.094 141 F CA -1.012 56.996 58.000 0.014 0.000 1.254 141 F CB 1.943 40.949 39.000 0.010 0.000 1.040 141 F HN 0.016 8.473 8.300 0.262 0.000 0.562 142 G N -1.108 107.796 108.800 0.172 0.000 2.547 142 G HA2 0.220 4.261 3.960 0.134 0.000 0.291 142 G HA3 0.220 4.350 3.960 0.098 -0.111 0.291 142 G C -0.980 173.951 174.900 0.051 0.000 1.211 142 G CA -0.856 44.312 45.100 0.114 0.000 0.950 142 G HN -0.364 8.198 8.290 0.140 -0.189 0.504 143 R N -1.200 119.320 120.500 0.033 0.000 3.972 143 R HA -0.411 3.969 4.340 0.067 0.000 0.133 143 R C -0.220 175.980 176.300 -0.167 0.000 0.492 143 R CA 1.492 57.562 56.100 -0.050 0.000 0.819 143 R CB -0.421 29.798 30.300 -0.135 0.000 1.090 143 R HN -0.198 8.112 8.270 0.066 0.000 0.252 144 T N 3.167 117.701 114.554 -0.033 0.000 3.336 144 T HA 0.392 5.021 4.350 -0.036 -0.300 0.384 144 T C 0.047 174.851 174.700 0.174 0.000 1.704 144 T CA -1.719 60.395 62.100 0.023 0.000 1.334 144 T CB -0.081 68.825 68.868 0.064 0.000 1.131 144 T HN 0.345 8.633 8.240 0.081 0.000 0.684 145 H N 5.953 125.044 119.070 0.036 0.000 2.680 145 H HA 0.249 4.823 4.556 0.029 0.000 0.224 145 H C -0.670 174.674 175.328 0.026 0.000 1.866 145 H CA -0.909 55.157 56.048 0.030 0.000 1.302 145 H CB -1.784 27.995 29.762 0.029 0.000 1.709 145 H HN 0.506 8.680 8.280 -0.176 0.000 0.537 146 E N 1.537 121.815 120.200 0.130 0.000 4.124 146 E HA 0.144 4.541 4.350 0.078 0.000 0.177 146 E C -1.214 175.419 176.600 0.055 0.000 1.238 146 E CA -0.106 56.341 56.400 0.078 0.000 0.753 146 E CB 1.749 31.484 29.700 0.059 0.000 2.870 146 E HN -0.426 7.969 8.360 0.129 0.042 0.580 147 K N 2.836 123.262 120.400 0.043 0.000 3.350 147 K HA 0.218 4.558 4.320 0.034 0.000 0.167 147 K C -1.403 175.214 176.600 0.029 0.000 1.058 147 K CA 0.033 56.340 56.287 0.033 0.000 0.783 147 K CB -0.046 32.470 32.500 0.027 0.000 0.872 147 K HN 0.079 8.354 8.250 0.041 0.000 0.561 151 Q N -0.041 119.781 119.800 0.036 0.000 0.452 151 Q HA -0.037 4.326 4.340 0.039 0.000 0.208 151 Q C -1.158 174.875 176.000 0.055 0.000 1.098 151 Q CA 0.055 55.883 55.803 0.042 0.000 0.234 151 Q CB -0.040 28.722 28.738 0.041 0.000 5.606 151 Q HN 0.160 8.452 8.270 0.036 0.000 0.290 152 S N -1.560 114.178 115.700 0.063 0.000 2.733 152 S HA 0.282 4.801 4.470 0.081 0.000 0.247 152 S C 0.192 174.853 174.600 0.101 0.000 1.043 152 S CA 0.108 58.356 58.200 0.079 0.000 1.066 152 S CB 0.573 63.819 63.200 0.076 0.000 1.045 152 S HN 0.439 8.785 8.310 0.059 0.000 0.586 153 T N -2.324 112.293 114.554 0.104 0.000 3.174 153 T HA 0.139 4.592 4.350 0.172 0.000 0.269 153 T C -1.211 173.630 174.700 0.236 0.000 1.017 153 T CA -0.719 61.469 62.100 0.148 0.000 0.899 153 T CB 0.625 69.543 68.868 0.084 0.000 1.077 153 T HN -0.157 8.135 8.240 0.085 0.000 0.552 154 R N 0.738 121.341 120.500 0.172 0.000 2.577 154 R HA 0.555 5.219 4.340 0.179 -0.217 0.269 154 R C -0.971 175.364 176.300 0.059 0.000 1.084 154 R CA -1.212 54.970 56.100 0.138 0.000 1.163 154 R CB 1.464 31.795 30.300 0.053 0.000 1.100 154 R HN -0.570 7.712 8.270 0.124 0.062 0.547 155 L N 0.657 121.799 121.223 -0.135 0.000 2.292 155 L HA 0.247 4.039 4.340 -0.912 0.000 0.284 155 L C -1.328 175.366 176.870 -0.294 0.000 1.065 155 L CA -0.556 53.941 54.840 -0.572 0.000 0.806 155 L CB 1.672 43.306 42.059 -0.708 0.000 1.175 155 L HN -0.267 7.935 8.230 -0.046 0.000 0.431 156 K N 4.392 124.629 120.400 -0.272 0.000 2.352 156 K HA 0.754 5.126 4.320 -0.118 -0.123 0.240 156 K C -1.692 174.836 176.600 -0.119 0.000 1.017 156 K CA -2.000 54.203 56.287 -0.139 0.000 0.851 156 K CB 4.131 36.586 32.500 -0.075 0.000 1.261 156 K HN 0.573 8.610 8.250 -0.355 0.000 0.451 157 M N -0.120 119.441 119.600 -0.065 0.000 2.550 157 M HA 0.839 5.481 4.480 -0.017 -0.172 0.292 157 M C -2.698 173.600 176.300 -0.002 0.000 1.221 157 M CA -0.976 54.308 55.300 -0.027 0.000 0.873 157 M CB 4.855 37.435 32.600 -0.032 0.000 1.727 157 M HN 0.373 8.631 8.290 -0.054 0.000 0.459 158 L N 1.337 122.571 121.223 0.018 0.000 2.505 158 L HA 0.521 4.871 4.340 0.016 0.000 0.259 158 L C -3.061 173.822 176.870 0.022 0.000 0.952 158 L CA -0.552 54.302 54.840 0.023 0.000 0.840 158 L CB 4.325 46.405 42.059 0.035 0.000 1.358 158 L HN 0.531 8.777 8.230 0.027 0.000 0.409 159 E N 5.135 125.341 120.200 0.011 0.000 2.156 159 E HA 0.339 4.788 4.350 -0.026 -0.115 0.279 159 E C -1.424 175.168 176.600 -0.013 0.000 0.965 159 E CA -1.308 55.085 56.400 -0.012 0.000 0.789 159 E CB 1.585 31.279 29.700 -0.011 0.000 1.098 159 E HN 0.350 8.719 8.360 0.013 0.000 0.397 160 V N 2.168 122.060 119.914 -0.038 0.000 2.448 160 V HA 0.584 4.704 4.120 -0.000 0.000 0.295 160 V C -2.312 173.713 176.094 -0.115 0.000 1.025 160 V CA -4.400 57.882 62.300 -0.031 0.000 0.859 160 V CB 1.744 33.575 31.823 0.013 0.000 0.988 160 V HN 0.272 8.423 8.190 -0.066 0.000 0.431 161 P HA 0.161 4.602 4.420 -0.182 -0.131 0.272 161 P C -0.853 176.364 177.300 -0.139 0.000 1.230 161 P CA -0.963 62.060 63.100 -0.128 0.000 0.788 161 P CB 0.785 32.453 31.700 -0.054 0.000 0.949 162 Y N -1.390 118.891 120.300 -0.032 0.000 2.301 162 Y HA 0.037 4.591 4.550 0.007 0.000 0.328 162 Y C 0.763 176.596 175.900 -0.112 0.000 1.242 162 Y CA 1.303 59.376 58.100 -0.045 0.000 1.323 162 Y CB 1.263 39.671 38.460 -0.086 0.000 1.266 162 Y HN -0.476 7.782 8.280 -0.036 0.000 0.527 163 V N 1.782 121.722 119.914 0.043 0.000 2.881 163 V HA 0.100 4.117 4.120 -0.171 0.000 0.316 163 V C -0.967 175.093 176.094 -0.057 0.000 1.070 163 V CA -1.667 60.541 62.300 -0.152 0.000 0.976 163 V CB 3.142 34.692 31.823 -0.455 0.000 1.038 163 V HN -0.137 8.148 8.190 0.159 0.000 0.446 164 D N 2.373 122.732 120.400 -0.068 0.000 2.225 164 D HA 0.079 4.691 4.640 -0.047 0.000 0.248 164 D C 0.951 177.242 176.300 -0.015 0.000 1.096 164 D CA -0.816 53.160 54.000 -0.040 0.000 0.863 164 D CB 1.583 42.362 40.800 -0.036 0.000 1.156 164 D HN -0.017 8.297 8.370 -0.092 0.000 0.450 165 R N 2.403 122.899 120.500 -0.006 0.000 2.208 165 R HA -0.594 3.768 4.340 0.037 0.000 0.262 165 R C 1.452 177.769 176.300 0.027 0.000 1.166 165 R CA 4.211 60.322 56.100 0.017 0.000 0.987 165 R CB -0.085 30.218 30.300 0.006 0.000 0.887 165 R HN 0.626 8.882 8.270 -0.023 0.000 0.459 166 N N -1.868 116.842 118.700 0.017 0.000 2.058 166 N HA -0.244 4.512 4.740 0.026 0.000 0.191 166 N C 2.201 177.739 175.510 0.045 0.000 1.037 166 N CA 3.405 56.470 53.050 0.025 0.000 0.848 166 N CB -0.555 37.941 38.487 0.015 0.000 1.021 166 N HN 0.099 8.459 8.380 0.003 0.021 0.422 167 S N 1.464 117.194 115.700 0.050 0.000 2.474 167 S HA -0.226 4.300 4.470 0.093 0.000 0.235 167 S C 1.609 176.305 174.600 0.161 0.000 0.997 167 S CA 3.067 61.325 58.200 0.097 0.000 0.949 167 S CB -0.179 63.075 63.200 0.089 0.000 0.766 167 S HN -0.491 8.083 8.310 0.029 -0.247 0.517 168 c N 4.183 122.852 118.600 0.116 0.000 2.631 168 c HA 0.039 4.773 4.570 0.275 0.000 0.283 168 c C 1.952 176.117 174.090 0.125 0.000 1.295 168 c CA 1.811 58.233 56.329 0.155 0.000 1.697 168 c CB -1.293 41.272 42.510 0.091 0.000 2.128 168 c HN -0.225 7.860 8.230 0.070 0.188 0.503 169 K N -0.509 119.945 120.400 0.091 0.000 2.127 169 K HA -0.342 4.035 4.320 0.095 0.000 0.208 169 K C 1.547 178.186 176.600 0.066 0.000 1.047 169 K CA 3.090 59.424 56.287 0.079 0.000 0.927 169 K CB -0.187 32.349 32.500 0.060 0.000 0.716 169 K HN 0.120 8.313 8.250 0.078 0.104 0.450 170 L N -3.352 117.909 121.223 0.063 0.000 2.627 170 L HA 0.051 4.409 4.340 0.029 0.000 0.232 170 L C 0.671 177.567 176.870 0.042 0.000 1.150 170 L CA 0.838 55.704 54.840 0.044 0.000 0.917 170 L CB -0.244 41.840 42.059 0.041 0.000 1.104 170 L HN -0.297 7.956 8.230 0.072 0.021 0.445 171 S N -1.880 113.854 115.700 0.057 0.000 2.830 171 S HA 0.027 4.491 4.470 -0.010 0.000 0.249 171 S C 0.325 174.928 174.600 0.005 0.000 1.084 171 S CA 0.685 58.894 58.200 0.016 0.000 0.852 171 S CB 1.757 64.961 63.200 0.006 0.000 0.802 171 S HN 0.261 8.437 8.310 0.080 0.182 0.481 172 S N 2.370 118.104 115.700 0.056 0.000 2.563 172 S HA -0.285 4.347 4.470 0.113 -0.094 0.284 172 S C 0.258 174.870 174.600 0.020 0.000 1.331 172 S CA 1.525 59.790 58.200 0.108 0.000 1.047 172 S CB 0.589 63.910 63.200 0.202 0.000 0.859 172 S HN -0.598 7.761 8.310 0.083 0.000 0.514 173 S N 5.602 121.262 115.700 -0.067 0.000 2.458 173 S HA 0.034 4.327 4.470 -0.294 0.000 0.223 173 S C 0.158 174.333 174.600 -0.707 0.000 1.019 173 S CA 1.393 59.318 58.200 -0.459 0.000 0.937 173 S CB 0.626 63.370 63.200 -0.759 0.000 0.788 173 S HN 0.151 8.983 8.310 0.097 -0.464 0.511 174 F N -1.277 118.740 119.950 0.112 0.000 2.572 174 F HA 0.189 4.721 4.527 0.008 0.000 0.342 174 F C 0.008 175.890 175.800 0.137 0.000 1.064 174 F CA -1.475 56.560 58.000 0.058 0.000 1.008 174 F CB 0.878 39.826 39.000 -0.087 0.000 1.303 174 F HN -0.815 7.564 8.300 0.184 0.031 0.492 175 I N 0.350 121.098 120.570 0.295 0.000 2.993 175 I HA -0.133 4.140 4.170 0.171 0.000 0.286 175 I C -1.137 175.157 176.117 0.296 0.000 1.215 175 I CA 0.211 61.644 61.300 0.221 0.000 1.393 175 I CB 0.682 38.771 38.000 0.148 0.000 1.371 175 I HN -0.126 8.258 8.210 0.290 0.000 0.602 176 I N 5.777 126.474 120.570 0.212 0.000 2.468 176 I HA 0.275 4.596 4.170 0.251 0.000 0.284 176 I C -0.844 175.353 176.117 0.133 0.000 1.038 176 I CA -2.578 58.838 61.300 0.193 0.000 1.083 176 I CB 0.262 38.350 38.000 0.147 0.000 1.223 176 I HN 0.141 8.446 8.210 0.159 0.000 0.443 177 T N 2.795 117.426 114.554 0.128 0.000 2.880 177 T HA 0.345 4.738 4.350 0.072 0.000 0.279 177 T C 0.507 175.230 174.700 0.040 0.000 0.990 177 T CA -2.051 60.095 62.100 0.078 0.000 0.938 177 T CB 1.780 70.700 68.868 0.087 0.000 1.206 177 T HN -0.313 8.024 8.240 0.161 0.000 0.573 178 Q N -3.288 116.508 119.800 -0.007 0.000 2.373 178 Q HA -0.115 4.222 4.340 -0.006 0.000 0.206 178 Q C -0.357 175.597 176.000 -0.076 0.000 0.942 178 Q CA 1.163 56.944 55.803 -0.036 0.000 0.953 178 Q CB -0.563 28.138 28.738 -0.061 0.000 1.022 178 Q HN 0.398 8.661 8.270 -0.011 0.000 0.502 179 N N -1.389 117.269 118.700 -0.070 0.000 2.275 179 N HA 0.196 4.845 4.740 -0.151 0.000 0.236 179 N C -1.662 173.908 175.510 0.100 0.000 1.154 179 N CA -0.447 52.558 53.050 -0.075 0.000 0.866 179 N CB 1.157 39.541 38.487 -0.172 0.000 1.093 179 N HN -0.428 7.817 8.380 -0.034 0.115 0.515 180 M N -1.884 117.784 119.600 0.112 0.000 2.658 180 M HA 0.689 5.448 4.480 0.096 -0.222 0.295 180 M C -1.816 174.578 176.300 0.157 0.000 1.248 180 M CA -0.238 55.130 55.300 0.113 0.000 0.843 180 M CB 4.642 37.314 32.600 0.119 0.000 1.749 180 M HN -0.823 7.449 8.290 0.086 0.070 0.464 181 F N -5.620 114.355 119.950 0.042 0.000 2.995 181 F HA 0.422 4.943 4.527 -0.009 0.000 0.382 181 F C -1.216 174.593 175.800 0.016 0.000 1.019 181 F CA -1.664 56.342 58.000 0.009 0.000 1.078 181 F CB 1.962 40.946 39.000 -0.028 0.000 1.192 181 F HN -0.329 7.831 8.300 -0.233 0.000 0.553 182 c N 0.255 118.835 118.600 -0.033 0.000 0.168 182 c HA -0.333 4.478 4.570 -0.022 -0.254 0.017 182 c C -1.501 172.660 174.090 0.119 0.000 0.171 182 c CA 0.636 56.984 56.329 0.032 0.000 0.500 182 c CB -1.373 41.158 42.510 0.035 0.000 3.212 182 c HN -0.072 8.015 8.230 -0.238 0.000 1.118 183 A N 2.728 125.621 122.820 0.121 0.000 2.605 183 A HA 0.910 5.340 4.320 -0.003 -0.111 0.294 183 A C -2.013 175.651 177.584 0.134 0.000 1.062 183 A CA -0.407 51.669 52.037 0.065 0.000 0.682 183 A CB 3.883 22.825 19.000 -0.096 0.000 1.278 183 A HN 0.405 8.662 8.150 0.178 0.000 0.410 184 G N 0.571 109.414 108.800 0.071 0.000 2.247 184 G HA2 -0.166 3.872 3.960 0.130 0.000 0.229 184 G HA3 -0.166 3.943 3.960 0.250 0.000 0.229 184 G C -0.464 174.544 174.900 0.179 0.000 1.345 184 G CA 0.718 45.918 45.100 0.167 0.000 1.100 184 G HN 0.174 8.457 8.290 -0.012 0.000 0.473 185 T N -1.020 113.564 114.554 0.050 0.000 2.824 185 T HA -0.586 3.766 4.350 0.003 0.000 0.259 185 T C 1.456 176.174 174.700 0.029 0.000 1.024 185 T CA 2.116 64.230 62.100 0.023 0.000 1.164 185 T CB -0.295 68.587 68.868 0.024 0.000 0.836 185 T HN 0.190 8.476 8.240 0.077 0.000 0.485 186 K N 1.374 121.799 120.400 0.043 0.000 2.469 186 K HA -0.161 4.179 4.320 0.033 0.000 0.274 186 K C -0.069 176.555 176.600 0.040 0.000 0.983 186 K CA 0.647 56.958 56.287 0.040 0.000 0.974 186 K CB 0.435 32.963 32.500 0.045 0.000 0.913 186 K HN -0.392 7.891 8.250 0.054 0.000 0.493 187 Q N 3.561 123.384 119.800 0.037 0.000 2.834 187 Q HA 0.131 4.493 4.340 0.037 0.000 0.271 187 Q C -1.912 174.113 176.000 0.040 0.000 1.196 187 Q CA -0.470 55.356 55.803 0.038 0.000 1.063 187 Q CB -0.336 28.425 28.738 0.039 0.000 1.265 187 Q HN 0.440 8.731 8.270 0.034 0.000 0.526 188 E N 0.453 120.679 120.200 0.044 0.000 2.246 188 E HA 0.184 4.593 4.350 0.034 -0.039 0.266 188 E C -2.377 174.253 176.600 0.050 0.000 0.880 188 E CA -0.923 55.502 56.400 0.041 0.000 0.762 188 E CB 2.767 32.491 29.700 0.041 0.000 1.180 188 E HN -0.563 7.783 8.360 0.050 0.044 0.416 189 D N 1.498 121.923 120.400 0.041 0.000 2.738 189 D HA 0.192 4.885 4.640 0.087 0.000 0.308 189 D C -2.513 173.813 176.300 0.043 0.000 1.311 189 D CA -0.616 53.418 54.000 0.056 0.000 0.799 189 D CB 3.385 44.212 40.800 0.045 0.000 1.332 189 D HN -0.290 8.095 8.370 0.026 0.000 0.441 190 A N -0.714 122.140 122.820 0.057 0.000 2.363 190 A HA 0.285 4.750 4.320 0.051 -0.114 0.270 190 A C -1.702 175.877 177.584 -0.009 0.000 1.121 190 A CA -0.419 51.641 52.037 0.039 0.000 0.800 190 A CB 0.927 19.946 19.000 0.030 0.000 1.052 190 A HN 0.340 8.534 8.150 0.074 0.000 0.493 191 c N 1.437 120.028 118.600 -0.014 0.000 3.119 191 c HA 0.357 4.911 4.570 -0.027 0.000 0.359 191 c C -1.193 172.901 174.090 0.007 0.000 1.486 191 c CA -1.741 54.567 56.329 -0.035 0.000 1.556 191 c CB 3.491 45.925 42.510 -0.126 0.000 2.063 191 c HN 0.549 9.167 8.230 -0.000 -0.388 0.454 192 Q N 1.455 121.265 119.800 0.017 0.000 2.286 192 Q HA -0.373 4.020 4.340 0.087 0.000 0.290 192 Q C 0.707 176.753 176.000 0.076 0.000 1.049 192 Q CA 1.945 57.788 55.803 0.066 0.000 0.923 192 Q CB 0.651 29.435 28.738 0.077 0.000 1.183 192 Q HN -0.015 8.251 8.270 -0.007 0.000 0.383 193 G N 5.460 114.325 108.800 0.109 0.000 2.176 193 G HA2 -0.352 3.909 3.960 0.130 0.000 0.232 193 G HA3 -0.352 3.677 3.960 0.115 0.000 0.232 193 G C -0.206 174.759 174.900 0.108 0.000 0.986 193 G CA 0.542 45.712 45.100 0.116 0.000 0.643 193 G HN 0.379 8.746 8.290 0.129 0.000 0.522 194 D N -0.061 120.395 120.400 0.093 0.000 2.449 194 D HA 0.206 4.905 4.640 0.097 0.000 0.210 194 D C 0.043 176.396 176.300 0.089 0.000 1.094 194 D CA -0.059 53.993 54.000 0.087 0.000 0.846 194 D CB 1.077 41.920 40.800 0.071 0.000 1.003 194 D HN -0.253 8.100 8.370 0.088 0.069 0.504 195 S N -0.061 115.705 115.700 0.110 0.000 2.561 195 S HA -0.510 4.039 4.470 0.132 0.000 0.294 195 S C 0.659 175.283 174.600 0.041 0.000 1.294 195 S CA 2.401 60.689 58.200 0.147 0.000 1.055 195 S CB -0.074 63.329 63.200 0.340 0.000 0.819 195 S HN -0.410 7.929 8.310 0.122 0.045 0.503 196 G N 4.495 113.290 108.800 -0.007 0.000 2.417 196 G HA2 -0.446 3.528 3.960 -0.107 0.000 0.233 196 G HA3 -0.446 3.551 3.960 -0.126 -0.112 0.233 196 G C 0.234 175.147 174.900 0.022 0.000 1.103 196 G CA 0.127 45.185 45.100 -0.069 0.000 0.647 196 G HN 0.633 8.939 8.290 0.028 0.000 0.512 197 G N 2.151 110.986 108.800 0.059 0.000 2.720 197 G HA2 -0.025 4.073 3.960 0.102 0.000 0.237 197 G HA3 -0.025 4.086 3.960 0.116 -0.081 0.237 197 G C -2.400 172.597 174.900 0.162 0.000 1.239 197 G CA -1.036 44.130 45.100 0.110 0.000 0.847 197 G HN -0.271 7.813 8.290 0.052 0.238 0.593 198 P HA 0.042 4.568 4.420 0.178 0.000 0.278 198 P C -2.112 175.314 177.300 0.210 0.000 1.238 198 P CA -0.220 62.991 63.100 0.184 0.000 0.794 198 P CB 1.749 33.557 31.700 0.179 0.000 0.955 199 H N 2.482 121.620 119.070 0.115 0.000 2.970 199 H HA 0.528 5.281 4.556 0.024 -0.182 0.315 199 H C -2.253 173.103 175.328 0.047 0.000 0.992 199 H CA -1.174 54.901 56.048 0.046 0.000 1.363 199 H CB 2.470 32.207 29.762 -0.042 0.000 1.532 199 H HN -0.225 8.189 8.280 0.223 0.000 0.514 200 V N 8.855 128.542 119.914 -0.378 0.000 2.680 200 V HA 0.506 4.658 4.120 -0.119 -0.103 0.309 200 V C -2.189 173.775 176.094 -0.216 0.000 1.052 200 V CA -2.392 59.773 62.300 -0.226 0.000 0.908 200 V CB 4.620 36.287 31.823 -0.259 0.000 1.001 200 V HN 1.028 8.987 8.190 -0.385 0.000 0.431 201 T N 9.622 124.141 114.554 -0.059 0.000 2.823 201 T HA 0.384 4.670 4.350 -0.107 0.000 0.279 201 T C -1.828 172.852 174.700 -0.033 0.000 0.998 201 T CA -0.631 61.454 62.100 -0.025 0.000 0.994 201 T CB 1.753 70.679 68.868 0.097 0.000 0.960 201 T HN 0.707 8.965 8.240 0.029 0.000 0.448 202 R N 6.938 127.318 120.500 -0.199 0.000 2.294 202 R HA 0.611 4.826 4.340 -0.549 -0.204 0.319 202 R C -1.402 174.882 176.300 -0.026 0.000 0.984 202 R CA -0.765 55.074 56.100 -0.434 0.000 0.861 202 R CB 2.065 31.845 30.300 -0.868 0.000 1.104 202 R HN 0.368 8.539 8.270 -0.164 0.000 0.451 203 F N 8.232 128.184 119.950 0.003 0.000 2.540 203 F HA 0.270 4.814 4.527 0.027 0.000 0.317 203 F C -1.317 174.551 175.800 0.113 0.000 1.104 203 F CA -1.606 56.465 58.000 0.117 0.000 0.913 203 F CB 4.067 43.262 39.000 0.325 0.000 1.170 203 F HN 0.731 9.169 8.300 0.230 0.000 0.450 204 K N 7.358 127.373 120.400 -0.643 0.000 4.971 204 K HA -0.455 3.660 4.320 -0.341 0.000 0.296 204 K C -0.953 175.587 176.600 -0.099 0.000 0.724 204 K CA 1.204 57.269 56.287 -0.369 0.000 0.844 204 K CB -0.984 31.276 32.500 -0.400 0.000 1.993 204 K HN 0.491 8.080 8.250 -1.102 0.000 0.384 205 D N -5.629 114.718 120.400 -0.088 0.000 2.978 205 D HA -0.381 4.277 4.640 0.029 0.000 0.226 205 D C -0.585 175.771 176.300 0.092 0.000 1.189 205 D CA 1.867 55.876 54.000 0.014 0.000 0.810 205 D CB -1.169 39.650 40.800 0.031 0.000 1.096 205 D HN 0.505 8.793 8.370 -0.136 0.000 0.414 206 T N -0.107 114.477 114.554 0.049 0.000 2.887 206 T HA 0.225 4.655 4.350 0.134 0.000 0.288 206 T C -1.847 172.806 174.700 -0.077 0.000 1.021 206 T CA -0.169 61.956 62.100 0.042 0.000 1.000 206 T CB 3.028 71.890 68.868 -0.010 0.000 1.034 206 T HN 0.058 8.126 8.240 0.024 0.187 0.467 207 Y N 2.504 122.626 120.300 -0.296 0.000 2.341 207 Y HA 0.392 5.071 4.550 -0.062 -0.167 0.338 207 Y C -1.046 174.500 175.900 -0.590 0.000 0.965 207 Y CA -1.338 56.567 58.100 -0.325 0.000 1.108 207 Y CB 2.077 40.259 38.460 -0.463 0.000 1.180 207 Y HN 0.406 8.722 8.280 0.060 0.000 0.458 208 F N 0.874 120.798 119.950 -0.043 0.000 2.538 208 F HA 0.647 5.368 4.527 -0.072 -0.238 0.325 208 F C -0.756 174.993 175.800 -0.085 0.000 1.066 208 F CA -2.137 55.838 58.000 -0.042 0.000 0.946 208 F CB 4.042 43.079 39.000 0.062 0.000 1.199 208 F HN 0.717 9.221 8.300 0.340 0.000 0.473 209 V N -2.990 116.990 119.914 0.111 0.000 2.498 209 V HA 0.209 4.439 4.120 0.007 -0.105 0.279 209 V C 0.043 176.248 176.094 0.184 0.000 1.048 209 V CA -0.651 61.696 62.300 0.078 0.000 0.967 209 V CB -0.396 31.466 31.823 0.065 0.000 0.988 209 V HN 0.305 8.572 8.190 0.129 0.000 0.473 210 T N 0.501 115.210 114.554 0.259 0.000 2.971 210 T HA 0.237 4.707 4.350 0.200 0.000 0.252 210 T C 0.088 175.080 174.700 0.487 0.000 1.022 210 T CA -0.275 62.017 62.100 0.319 0.000 0.980 210 T CB 1.734 70.809 68.868 0.346 0.000 1.044 210 T HN 0.534 8.932 8.240 0.263 0.000 0.501 211 G N 0.447 109.559 108.800 0.520 0.000 2.645 211 G HA2 0.565 4.931 3.960 0.458 0.000 0.292 211 G HA3 0.565 4.791 3.960 0.443 0.000 0.292 211 G C -3.421 171.690 174.900 0.350 0.000 1.415 211 G CA 0.206 45.584 45.100 0.464 0.000 0.785 211 G HN -0.353 8.213 8.290 0.460 0.000 0.483 212 I N -1.716 119.031 120.570 0.294 0.000 2.533 212 I HA 0.458 4.923 4.170 0.226 -0.159 0.290 212 I C -0.568 175.682 176.117 0.222 0.000 1.056 212 I CA -1.291 60.138 61.300 0.216 0.000 1.057 212 I CB 4.120 42.188 38.000 0.114 0.000 1.240 212 I HN -0.442 8.012 8.210 0.269 -0.082 0.423 213 V N 6.520 126.559 119.914 0.208 0.000 2.599 213 V HA -0.215 3.649 4.120 -0.426 0.000 0.300 213 V C -1.081 175.002 176.094 -0.019 0.000 1.034 213 V CA 2.144 64.417 62.300 -0.045 0.000 1.115 213 V CB -0.571 31.278 31.823 0.044 0.000 0.934 213 V HN 0.043 8.365 8.190 0.220 0.000 0.485 214 S N 6.570 122.205 115.700 -0.107 0.000 3.200 214 S HA 0.475 5.218 4.470 0.455 0.000 0.209 214 S C -1.295 173.531 174.600 0.377 0.000 0.869 214 S CA 1.057 59.421 58.200 0.272 0.000 0.820 214 S CB 2.059 65.419 63.200 0.265 0.000 0.834 214 S HN 0.092 8.130 8.310 -0.454 0.000 0.622 215 W N -4.190 117.087 121.300 -0.039 0.000 3.018 215 W HA 0.402 5.021 4.660 -0.067 0.000 0.382 215 W C -2.630 173.807 176.519 -0.136 0.000 1.161 215 W CA -1.037 56.254 57.345 -0.090 0.000 1.144 215 W CB 1.669 31.020 29.460 -0.182 0.000 1.499 215 W HN -0.394 7.535 8.180 -0.418 0.000 0.596 216 G N -2.753 106.147 108.800 0.167 0.000 2.600 216 G HA2 0.230 3.998 3.960 -0.320 0.000 0.293 216 G HA3 0.230 4.148 3.960 -0.070 0.000 0.293 216 G C -1.869 173.174 174.900 0.237 0.000 1.408 216 G CA -0.028 45.057 45.100 -0.025 0.000 0.782 216 G HN -0.035 8.502 8.290 0.411 0.000 0.482 217 E N 0.427 120.721 120.200 0.157 0.000 3.170 217 E HA 0.113 4.591 4.350 0.213 0.000 0.212 217 E C -0.736 175.920 176.600 0.093 0.000 1.143 217 E CA -1.150 55.365 56.400 0.191 0.000 1.139 217 E CB -0.167 29.675 29.700 0.237 0.000 1.346 217 E HN 0.420 8.812 8.360 0.054 0.000 0.432 221 A N 1.954 124.785 122.820 0.018 0.000 2.203 221 A HA -0.383 3.948 4.320 0.018 0.000 0.279 221 A C -1.521 176.074 177.584 0.018 0.000 1.396 221 A CA 0.906 52.957 52.037 0.023 0.000 0.747 221 A CB -0.475 18.546 19.000 0.035 0.000 1.151 221 A HN 0.571 8.911 8.150 0.011 -0.184 0.345 222 R N 0.928 121.427 120.500 -0.002 0.000 1.888 222 R HA -0.079 4.264 4.340 0.004 0.000 0.123 222 R C 1.340 177.614 176.300 -0.043 0.000 1.949 222 R CA -0.030 56.064 56.100 -0.011 0.000 1.713 222 R CB 1.167 31.463 30.300 -0.007 0.000 1.367 222 R HN -0.272 7.989 8.270 -0.014 0.000 0.489 223 G N -0.822 107.868 108.800 -0.184 0.000 2.335 223 G HA2 -0.376 3.611 3.960 -0.261 0.083 0.264 223 G HA3 -0.376 3.483 3.960 -0.167 0.000 0.264 223 G C -0.938 173.702 174.900 -0.434 0.000 0.990 223 G CA 1.682 46.627 45.100 -0.258 0.000 0.647 223 G HN 0.182 8.354 8.290 -0.197 0.000 0.561 224 K N 0.494 120.656 120.400 -0.397 0.000 2.267 224 K HA 0.377 4.442 4.320 -0.426 0.000 0.246 224 K C -1.372 174.957 176.600 -0.451 0.000 0.954 224 K CA -1.800 54.257 56.287 -0.383 0.000 0.824 224 K CB 1.663 34.073 32.500 -0.149 0.000 1.167 224 K HN -0.609 7.474 8.250 -0.278 0.000 0.431 225 Y N -1.626 118.648 120.300 -0.044 0.000 2.686 225 Y HA 0.110 4.651 4.550 -0.017 0.000 0.330 225 Y C -0.125 175.699 175.900 -0.126 0.000 1.082 225 Y CA -1.197 56.876 58.100 -0.045 0.000 1.158 225 Y CB 3.115 41.563 38.460 -0.021 0.000 1.333 225 Y HN -0.015 8.151 8.280 -0.190 0.000 0.519 226 G N -1.574 107.257 108.800 0.052 0.000 2.410 226 G HA2 0.649 4.424 3.960 -0.308 0.000 0.330 226 G HA3 0.649 4.463 3.960 -0.242 0.000 0.330 226 G C -2.484 172.183 174.900 -0.388 0.000 1.142 226 G CA -1.782 43.176 45.100 -0.236 0.000 0.902 226 G HN 0.293 8.696 8.290 0.188 0.000 0.491 227 I N -1.967 118.153 120.570 -0.750 0.000 2.603 227 I HA 0.501 4.525 4.170 -0.363 -0.071 0.300 227 I C -2.172 173.475 176.117 -0.783 0.000 1.017 227 I CA -1.636 59.269 61.300 -0.659 0.000 1.098 227 I CB 3.360 40.857 38.000 -0.838 0.000 1.279 227 I HN 0.546 8.220 8.210 -0.893 0.000 0.437 228 Y N 1.524 121.450 120.300 -0.623 0.000 2.630 228 Y HA 0.620 5.188 4.550 -0.262 -0.175 0.337 228 Y C 0.515 176.218 175.900 -0.330 0.000 1.051 228 Y CA -2.059 55.736 58.100 -0.508 0.000 1.121 228 Y CB 2.983 40.965 38.460 -0.798 0.000 1.299 228 Y HN 0.025 8.015 8.280 -0.483 0.000 0.498 229 T N 2.584 117.174 114.554 0.061 0.000 2.899 229 T HA 0.076 4.671 4.350 0.176 -0.140 0.295 229 T C 0.154 175.036 174.700 0.303 0.000 1.033 229 T CA 1.146 63.353 62.100 0.179 0.000 1.084 229 T CB 0.692 69.651 68.868 0.152 0.000 0.979 229 T HN 0.541 8.734 8.240 0.101 0.108 0.532 230 K N 5.681 126.304 120.400 0.373 0.000 2.150 230 K HA 0.108 4.786 4.320 0.596 0.000 0.261 230 K C 0.778 177.576 176.600 0.330 0.000 1.127 230 K CA -1.651 54.857 56.287 0.369 0.000 0.989 230 K CB -1.292 31.299 32.500 0.153 0.000 1.475 230 K HN 0.101 8.499 8.250 0.367 0.072 0.391 231 V N 7.718 127.850 119.914 0.363 0.000 2.392 231 V HA -0.460 3.949 4.120 0.481 0.000 0.249 231 V C 1.473 177.692 176.094 0.210 0.000 1.059 231 V CA 4.028 66.532 62.300 0.340 0.000 1.051 231 V CB -0.044 31.949 31.823 0.282 0.000 0.658 231 V HN 0.118 8.555 8.190 0.412 0.000 0.455 232 T N 0.714 115.327 114.554 0.097 0.000 2.918 232 T HA -0.369 4.003 4.350 0.038 0.000 0.271 232 T C 0.167 174.826 174.700 -0.068 0.000 1.104 232 T CA 4.052 66.153 62.100 0.003 0.000 1.114 232 T CB -0.395 68.429 68.868 -0.074 0.000 0.855 232 T HN 0.150 8.447 8.240 0.103 0.005 0.518 233 A N -1.857 120.852 122.820 -0.184 0.000 2.275 233 A HA 0.008 4.151 4.320 -0.296 0.000 0.212 233 A C -0.372 176.790 177.584 -0.703 0.000 1.201 233 A CA 0.653 52.411 52.037 -0.465 0.000 0.843 233 A CB 0.213 18.804 19.000 -0.682 0.000 0.873 233 A HN -0.211 7.684 8.150 -0.120 0.183 0.492 234 F N -5.609 114.391 119.950 0.082 0.000 2.767 234 F HA 0.237 4.895 4.527 0.217 0.000 0.323 234 F C 0.280 176.246 175.800 0.276 0.000 1.091 234 F CA -0.719 57.393 58.000 0.187 0.000 1.192 234 F CB 1.570 40.654 39.000 0.140 0.000 1.056 234 F HN -0.261 7.838 8.300 0.005 0.204 0.571 235 L N 1.735 123.132 121.223 0.289 0.000 2.011 235 L HA -0.550 3.934 4.340 0.240 0.000 0.225 235 L C 1.244 178.248 176.870 0.222 0.000 1.084 235 L CA 4.666 59.642 54.840 0.225 0.000 0.791 235 L CB -0.752 41.384 42.059 0.129 0.000 0.898 235 L HN -0.229 8.114 8.230 0.187 0.000 0.440 236 K N -2.373 118.150 120.400 0.205 0.000 2.148 236 K HA -0.353 4.034 4.320 0.112 0.000 0.204 236 K C 2.123 178.853 176.600 0.217 0.000 1.050 236 K CA 3.177 59.565 56.287 0.167 0.000 0.942 236 K CB -0.456 32.127 32.500 0.139 0.000 0.724 236 K HN -0.084 8.277 8.250 0.184 0.000 0.446 237 W N 0.311 121.715 121.300 0.174 0.000 2.352 237 W HA -0.354 4.400 4.660 0.157 0.000 0.322 237 W C 1.741 178.345 176.519 0.142 0.000 1.208 237 W CA 4.090 61.557 57.345 0.203 0.000 1.286 237 W CB -0.010 29.680 29.460 0.385 0.000 1.167 237 W HN -0.877 7.517 8.180 0.519 0.098 0.469 238 I N -2.053 118.790 120.570 0.454 0.000 2.121 238 I HA -0.815 3.432 4.170 0.129 0.000 0.243 238 I C 1.917 177.999 176.117 -0.059 0.000 1.047 238 I CA 4.143 65.556 61.300 0.187 0.000 1.308 238 I CB -0.714 37.450 38.000 0.273 0.000 1.015 238 I HN 0.361 9.025 8.210 0.756 0.000 0.410 239 D N -0.921 119.479 120.400 -0.001 0.000 2.106 239 D HA -0.350 4.246 4.640 -0.072 0.000 0.191 239 D C 2.026 178.243 176.300 -0.139 0.000 0.997 239 D CA 3.205 57.170 54.000 -0.059 0.000 0.834 239 D CB -0.098 40.700 40.800 -0.003 0.000 0.956 239 D HN -0.282 8.144 8.370 0.093 0.000 0.448 240 R N -2.382 118.023 120.500 -0.159 0.000 2.081 240 R HA -0.297 3.958 4.340 -0.141 0.000 0.235 240 R C 2.611 178.740 176.300 -0.285 0.000 1.131 240 R CA 3.083 59.063 56.100 -0.198 0.000 0.960 240 R CB 0.176 30.360 30.300 -0.193 0.000 0.856 240 R HN -0.329 7.870 8.270 -0.119 0.000 0.436 241 S N 1.052 116.486 115.700 -0.443 0.000 2.400 241 S HA -0.324 3.892 4.470 -0.423 0.000 0.232 241 S C 1.866 176.288 174.600 -0.297 0.000 1.025 241 S CA 3.578 61.503 58.200 -0.458 0.000 0.993 241 S CB -0.255 62.507 63.200 -0.731 0.000 0.808 241 S HN 0.218 8.158 8.310 -0.514 0.062 0.478 242 M N -3.576 115.789 119.600 -0.392 0.000 2.659 242 M HA -0.155 3.482 4.480 -1.404 0.000 0.243 242 M C 0.216 176.254 176.300 -0.438 0.000 1.111 242 M CA 1.846 56.688 55.300 -0.764 0.000 1.070 242 M CB -0.063 32.132 32.600 -0.675 0.000 1.525 242 M HN -0.285 7.667 8.290 -0.331 0.139 0.517 243 K N -3.733 116.534 120.400 -0.222 0.000 2.365 243 K HA 0.178 4.448 4.320 -0.083 0.000 0.195 243 K C 0.666 177.232 176.600 -0.057 0.000 1.079 243 K CA 0.478 56.701 56.287 -0.107 0.000 0.979 243 K CB 1.793 34.239 32.500 -0.091 0.000 0.929 243 K HN -0.133 7.751 8.250 -0.229 0.229 0.523 244 T N 1.261 115.772 114.554 -0.072 0.000 2.867 244 T HA 0.175 4.503 4.350 -0.036 0.000 0.286 244 T C -1.582 173.122 174.700 0.008 0.000 1.022 244 T CA -1.180 60.894 62.100 -0.044 0.000 0.933 244 T CB 1.148 69.968 68.868 -0.080 0.000 1.280 244 T HN -0.270 7.898 8.240 -0.120 0.000 0.566 245 R N -1.120 119.376 120.500 -0.006 0.000 2.672 245 R HA 0.238 4.594 4.340 0.027 0.000 0.228 245 R C -1.377 174.915 176.300 -0.014 0.000 1.501 245 R CA -0.463 55.636 56.100 -0.000 0.000 1.514 245 R CB -0.072 30.212 30.300 -0.027 0.000 1.489 245 R HN 0.144 8.401 8.270 -0.023 0.000 0.747 246 G N 0.132 108.925 108.800 -0.012 0.000 3.251 246 G HA2 0.396 4.351 3.960 -0.008 0.000 0.248 246 G HA3 0.396 4.348 3.960 -0.014 0.000 0.248 246 G C -2.553 172.352 174.900 0.007 0.000 1.320 246 G CA -0.760 44.334 45.100 -0.009 0.000 0.982 246 G HN -0.235 8.046 8.290 -0.014 0.000 0.575 247 L N -1.876 119.357 121.223 0.017 0.000 2.267 247 L HA 0.669 5.207 4.340 0.050 -0.168 0.264 247 L C -0.730 176.177 176.870 0.061 0.000 1.021 247 L CA -2.752 52.113 54.840 0.042 0.000 0.861 247 L CB 0.841 42.922 42.059 0.036 0.000 1.443 247 L HN -0.131 8.106 8.230 0.012 0.000 0.475 248 P HA -0.275 4.561 4.420 0.191 -0.301 0.230 248 P C -1.036 176.370 177.300 0.176 0.000 1.124 248 P CA 1.502 64.688 63.100 0.143 0.000 0.985 248 P CB -0.014 31.758 31.700 0.120 0.000 0.774 249 K N -7.893 112.567 120.400 0.100 0.000 0.975 249 K HA -0.416 3.940 4.320 0.059 0.000 0.771 249 K C -2.573 174.113 176.600 0.144 0.000 2.087 249 K CA 1.311 57.651 56.287 0.088 0.000 1.461 249 K CB -0.706 31.794 32.500 -0.000 0.000 2.591 249 K HN -0.534 7.761 8.250 0.074 0.000 0.353 250 A N -1.095 121.831 122.820 0.176 0.000 2.525 250 A HA 0.162 4.326 4.320 -0.258 0.000 0.291 250 A C -1.876 175.977 177.584 0.447 0.000 1.268 250 A CA -0.376 51.753 52.037 0.154 0.000 0.712 250 A CB 1.919 20.990 19.000 0.118 0.000 1.320 250 A HN 0.073 8.311 8.150 0.146 0.000 0.456 251 K N 0.000 120.695 120.400 0.491 0.000 2.780 251 K HA 0.000 4.562 4.320 0.404 0.000 0.191 251 K CA 0.000 56.593 56.287 0.510 0.000 0.838 251 K CB 0.000 32.709 32.500 0.348 0.000 1.064 251 K HN 0.000 8.523 8.250 0.455 0.000 0.543