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 1uza_1_B DATA FIRST_RESID 2 DATA SEQUENCE STQGISEDLY NRLVEMATIS QAAYADLcNI PSTIIKGEKI YNAQTDINGW DATA SEQUENCE ILRDDTSKEI ITVFRGTGSD TNLQLDTNYT LTPFDTLPQC NDCEVHGGYY DATA SEQUENCE IGWISVQDQV ESLVKQQASQ YPDYALTVTG HSLGASMAAL TAAQLSATYD DATA SEQUENCE NVRLYTFGEP RSGNQAFASY MNDAFQVSSP ETTQYFRVTH SNDGIPNLPP DATA SEQUENCE AEQGYAHGGV EYWSVDPYSA QNTFVcTGDE VQcCEAQGGQ GVNDAHTTYF DATA SEQUENCE GMTSGAcTWV 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 2 S HA 0.000 4.470 4.470 -0.000 0.000 0.327 2 S C 0.000 174.709 174.600 0.182 0.000 1.055 2 S CA 0.000 58.285 58.200 0.141 0.000 1.107 2 S CB 0.000 63.307 63.200 0.179 0.000 0.593 3 T N 1.168 115.838 114.554 0.194 0.000 2.906 3 T HA 0.653 5.004 4.350 0.002 0.000 0.295 3 T C -0.845 173.864 174.700 0.015 0.000 1.061 3 T CA -0.687 61.483 62.100 0.117 0.000 1.000 3 T CB 1.857 70.753 68.868 0.047 0.000 1.103 3 T HN 0.796 9.036 8.240 -0.000 0.000 0.486 4 Q N 0.828 120.504 119.800 -0.207 0.000 2.278 4 Q HA 0.548 4.889 4.340 0.002 0.000 0.257 4 Q C 0.061 175.839 176.000 -0.371 0.000 0.928 4 Q CA 0.126 55.503 55.803 -0.710 0.000 0.932 4 Q CB 0.454 28.720 28.738 -0.786 0.000 1.221 4 Q HN 1.496 9.766 8.270 -0.000 0.000 0.434 5 G N 3.332 111.938 108.800 -0.322 0.000 2.906 5 G HA2 -0.034 3.927 3.960 0.002 0.000 0.686 5 G HA3 -0.034 3.927 3.960 0.002 0.000 0.686 5 G C -0.827 174.072 174.900 -0.002 0.000 1.170 5 G CA -0.317 44.695 45.100 -0.147 0.000 0.775 5 G HN 0.874 9.164 8.290 -0.000 0.000 0.630 6 I N -0.780 119.826 120.570 0.061 0.000 3.067 6 I HA 0.914 5.085 4.170 0.002 0.000 0.312 6 I C 0.701 176.863 176.117 0.074 0.000 1.073 6 I CA -0.733 60.645 61.300 0.129 0.000 1.016 6 I CB 2.154 40.303 38.000 0.248 0.000 1.227 6 I HN 1.046 9.256 8.210 -0.000 0.000 0.456 7 S N 0.834 116.583 115.700 0.082 0.000 2.584 7 S HA 0.072 4.543 4.470 0.002 0.000 0.270 7 S C 0.819 175.453 174.600 0.057 0.000 1.346 7 S CA 0.113 58.343 58.200 0.050 0.000 1.018 7 S CB 1.366 64.595 63.200 0.048 0.000 0.899 7 S HN 0.849 9.159 8.310 -0.000 0.000 0.542 8 E N 0.990 121.207 120.200 0.028 0.000 2.110 8 E HA -0.155 4.196 4.350 0.002 0.000 0.193 8 E C 1.123 177.762 176.600 0.065 0.000 0.988 8 E CA 1.821 58.250 56.400 0.048 0.000 0.804 8 E CB -0.331 29.375 29.700 0.010 0.000 0.745 8 E HN 0.742 9.102 8.360 -0.000 0.000 0.458 9 D N -0.373 120.042 120.400 0.026 0.000 2.117 9 D HA -0.133 4.508 4.640 0.002 0.000 0.198 9 D C 1.870 178.152 176.300 -0.030 0.000 0.982 9 D CA 0.758 54.755 54.000 -0.006 0.000 0.828 9 D CB -0.283 40.510 40.800 -0.010 0.000 0.967 9 D HN 0.217 8.587 8.370 -0.000 0.000 0.464 10 L N 0.018 121.238 121.223 -0.005 0.000 2.056 10 L HA -0.153 4.188 4.340 0.002 0.000 0.207 10 L C 2.211 179.032 176.870 -0.081 0.000 1.078 10 L CA 1.472 56.277 54.840 -0.057 0.000 0.749 10 L CB -0.948 41.110 42.059 -0.001 0.000 0.901 10 L HN 0.018 8.248 8.230 -0.000 0.000 0.433 11 Y N 0.813 121.043 120.300 -0.117 0.000 2.114 11 Y HA -0.343 4.208 4.550 0.002 0.000 0.282 11 Y C 2.322 178.063 175.900 -0.266 0.000 1.165 11 Y CA 2.463 60.461 58.100 -0.170 0.000 1.148 11 Y CB -0.593 37.805 38.460 -0.103 0.000 0.972 11 Y HN 0.438 8.718 8.280 -0.000 0.000 0.504 12 N N -0.536 118.053 118.700 -0.185 0.000 2.166 12 N HA -0.177 4.564 4.740 0.002 0.000 0.186 12 N C 1.840 177.132 175.510 -0.363 0.000 1.019 12 N CA 1.066 53.950 53.050 -0.278 0.000 0.856 12 N CB -0.170 38.242 38.487 -0.125 0.000 0.993 12 N HN 0.371 8.751 8.380 -0.000 0.000 0.426 13 R N 0.771 121.078 120.500 -0.321 0.000 2.075 13 R HA -0.021 4.320 4.340 0.002 0.000 0.232 13 R C 2.186 178.193 176.300 -0.489 0.000 1.126 13 R CA 0.848 56.714 56.100 -0.389 0.000 0.963 13 R CB -0.337 29.755 30.300 -0.346 0.000 0.858 13 R HN 0.242 8.512 8.270 -0.000 0.000 0.435 14 L N 0.157 121.115 121.223 -0.441 0.000 2.017 14 L HA -0.179 4.162 4.340 0.002 0.000 0.208 14 L C 2.425 179.026 176.870 -0.448 0.000 1.073 14 L CA 1.099 55.765 54.840 -0.289 0.000 0.745 14 L CB -0.670 41.286 42.059 -0.173 0.000 0.894 14 L HN 0.026 8.256 8.230 -0.000 0.000 0.432 15 V N 0.111 119.509 119.914 -0.859 0.000 2.332 15 V HA -0.320 3.801 4.120 0.002 0.000 0.248 15 V C 2.564 178.332 176.094 -0.543 0.000 1.055 15 V CA 2.124 63.918 62.300 -0.844 0.000 1.038 15 V CB -0.545 30.715 31.823 -0.938 0.000 0.651 15 V HN 0.535 8.725 8.190 -0.000 0.000 0.450 16 E N -0.358 119.563 120.200 -0.466 0.000 2.038 16 E HA -0.252 4.099 4.350 0.002 0.000 0.195 16 E C 2.295 178.656 176.600 -0.398 0.000 1.000 16 E CA 1.586 57.752 56.400 -0.391 0.000 0.803 16 E CB -0.092 29.407 29.700 -0.335 0.000 0.750 16 E HN 0.378 8.738 8.360 -0.000 0.000 0.448 17 M N 0.302 119.670 119.600 -0.387 0.000 2.229 17 M HA -0.080 4.401 4.480 0.002 0.000 0.264 17 M C 2.375 178.427 176.300 -0.412 0.000 1.063 17 M CA 1.309 56.447 55.300 -0.270 0.000 1.114 17 M CB -1.036 31.435 32.600 -0.216 0.000 1.387 17 M HN 0.224 8.514 8.290 -0.000 0.000 0.420 18 A N -0.105 122.242 122.820 -0.788 0.000 1.930 18 A HA -0.114 4.207 4.320 0.002 0.000 0.217 18 A C 2.325 179.430 177.584 -0.798 0.000 1.175 18 A CA 2.076 53.355 52.037 -1.263 0.000 0.627 18 A CB -1.010 17.413 19.000 -0.962 0.000 0.815 18 A HN 0.458 8.608 8.150 -0.000 0.000 0.443 19 T N 0.516 114.652 114.554 -0.697 0.000 2.674 19 T HA -0.126 4.225 4.350 0.002 0.000 0.265 19 T C 1.808 176.091 174.700 -0.696 0.000 1.039 19 T CA 1.634 63.219 62.100 -0.858 0.000 1.150 19 T CB -0.433 68.003 68.868 -0.720 0.000 0.864 19 T HN 0.426 8.666 8.240 -0.000 0.000 0.427 20 I N 1.083 121.384 120.570 -0.448 0.000 2.226 20 I HA -0.182 3.989 4.170 0.002 0.000 0.245 20 I C 2.730 178.724 176.117 -0.205 0.000 1.100 20 I CA 0.983 62.115 61.300 -0.281 0.000 1.374 20 I CB -0.380 37.498 38.000 -0.203 0.000 1.057 20 I HN 0.181 8.391 8.210 -0.000 0.000 0.413 21 S N 0.121 115.695 115.700 -0.211 0.000 2.368 21 S HA -0.190 4.281 4.470 0.002 0.000 0.225 21 S C 1.942 176.535 174.600 -0.012 0.000 1.030 21 S CA 1.145 59.303 58.200 -0.069 0.000 0.999 21 S CB -0.185 62.997 63.200 -0.031 0.000 0.844 21 S HN 0.439 8.749 8.310 -0.000 0.000 0.459 22 Q N 0.530 120.199 119.800 -0.219 0.000 2.245 22 Q HA 0.204 4.545 4.340 0.002 0.000 0.201 22 Q C 2.262 178.363 176.000 0.170 0.000 0.955 22 Q CA 0.936 56.681 55.803 -0.097 0.000 0.870 22 Q CB -0.453 28.011 28.738 -0.457 0.000 0.945 22 Q HN 0.570 8.840 8.270 -0.000 0.000 0.461 23 A N 0.866 123.704 122.820 0.031 0.000 2.066 23 A HA 0.106 4.427 4.320 0.002 0.000 0.218 23 A C 2.208 179.887 177.584 0.158 0.000 1.157 23 A CA 1.140 53.353 52.037 0.294 0.000 0.670 23 A CB -0.294 18.819 19.000 0.190 0.000 0.804 23 A HN 0.297 8.447 8.150 -0.000 0.000 0.453 24 A N -1.405 121.485 122.820 0.117 0.000 2.125 24 A HA -0.040 4.281 4.320 0.002 0.000 0.219 24 A C 1.758 179.485 177.584 0.238 0.000 1.156 24 A CA 1.095 53.220 52.037 0.148 0.000 0.671 24 A CB -0.732 18.367 19.000 0.165 0.000 0.794 24 A HN 0.601 8.751 8.150 -0.000 0.000 0.459 25 Y N -1.199 119.218 120.300 0.195 0.000 2.561 25 Y HA 0.285 4.836 4.550 0.002 0.000 0.291 25 Y C 1.567 177.568 175.900 0.167 0.000 1.141 25 Y CA 0.795 59.010 58.100 0.191 0.000 1.303 25 Y CB 0.197 38.751 38.460 0.156 0.000 1.015 25 Y HN 0.301 8.581 8.280 -0.000 0.000 0.547 26 A N -0.210 122.783 122.820 0.287 0.000 3.234 26 A HA 0.289 4.610 4.320 0.002 0.000 0.247 26 A C -0.287 177.359 177.584 0.103 0.000 0.938 26 A CA -0.404 51.739 52.037 0.175 0.000 1.039 26 A CB -0.280 18.793 19.000 0.122 0.000 1.197 26 A HN 0.356 8.506 8.150 -0.000 0.000 0.498 27 D N 0.701 121.178 120.400 0.129 0.000 2.723 27 D HA -0.194 4.447 4.640 0.002 0.000 0.236 27 D C 0.380 176.519 176.300 -0.268 0.000 1.138 27 D CA 1.240 55.243 54.000 0.006 0.000 0.676 27 D CB -1.276 39.579 40.800 0.092 0.000 1.069 27 D HN 0.893 9.263 8.370 -0.000 0.000 0.430 28 L N -2.914 118.094 121.223 -0.358 0.000 3.865 28 L HA -0.274 4.067 4.340 0.002 0.000 0.408 28 L C 1.316 178.118 176.870 -0.113 0.000 1.209 28 L CA 0.714 55.349 54.840 -0.343 0.000 0.940 28 L CB -2.613 39.052 42.059 -0.657 0.000 1.971 28 L HN 0.623 8.853 8.230 -0.000 0.000 0.899 29 c N -0.565 118.032 118.600 -0.005 0.000 2.523 29 c HA 0.205 4.776 4.570 0.002 0.000 0.406 29 c C 1.660 175.822 174.090 0.119 0.000 1.449 29 c CA 0.054 56.386 56.329 0.006 0.000 1.588 29 c CB 0.229 42.704 42.510 -0.058 0.000 2.514 29 c HN 0.780 9.010 8.230 -0.000 0.000 0.606 30 N N 0.328 119.054 118.700 0.043 0.000 2.741 30 N HA -0.197 4.544 4.740 0.002 0.000 0.250 30 N C -0.103 175.536 175.510 0.214 0.000 1.115 30 N CA 1.521 54.630 53.050 0.097 0.000 0.724 30 N CB -1.718 36.760 38.487 -0.016 0.000 1.090 30 N HN 1.039 9.419 8.380 -0.000 0.000 0.558 31 I N -2.519 118.106 120.570 0.092 0.000 2.945 31 I HA 0.477 4.648 4.170 0.002 0.000 0.292 31 I C -1.567 174.532 176.117 -0.030 0.000 1.093 31 I CA -1.742 59.557 61.300 -0.003 0.000 1.336 31 I CB 0.062 38.005 38.000 -0.095 0.000 1.435 31 I HN -0.235 7.975 8.210 -0.000 0.000 0.593 32 P HA 0.002 4.422 4.420 -0.000 0.000 0.265 32 P C 0.322 177.587 177.300 -0.060 0.000 1.187 32 P CA 0.196 63.258 63.100 -0.064 0.000 0.766 32 P CB 0.690 32.334 31.700 -0.093 0.000 0.820 33 S N 0.735 116.407 115.700 -0.046 0.000 2.507 33 S HA -0.084 4.387 4.470 0.002 0.000 0.235 33 S C 1.511 176.083 174.600 -0.047 0.000 0.988 33 S CA 1.398 59.572 58.200 -0.043 0.000 0.944 33 S CB -0.768 62.412 63.200 -0.033 0.000 0.762 33 S HN 0.684 8.994 8.310 -0.000 0.000 0.526 34 T N -0.443 114.078 114.554 -0.055 0.000 3.072 34 T HA 0.211 4.562 4.350 0.002 0.000 0.266 34 T C 0.590 175.254 174.700 -0.060 0.000 1.127 34 T CA 0.256 62.322 62.100 -0.056 0.000 1.107 34 T CB -0.397 68.431 68.868 -0.066 0.000 0.910 34 T HN 0.271 8.511 8.240 -0.000 0.000 0.513 35 I N 1.669 122.198 120.570 -0.067 0.000 2.342 35 I HA 0.360 4.531 4.170 0.002 0.000 0.291 35 I C -0.148 175.932 176.117 -0.062 0.000 1.010 35 I CA -1.066 60.190 61.300 -0.072 0.000 1.308 35 I CB 1.334 39.279 38.000 -0.092 0.000 1.400 35 I HN 0.078 8.288 8.210 -0.000 0.000 0.488 36 I N 7.208 127.746 120.570 -0.053 0.000 2.396 36 I HA 0.145 4.316 4.170 0.002 0.000 0.289 36 I C 0.276 176.369 176.117 -0.040 0.000 1.056 36 I CA -0.337 60.939 61.300 -0.041 0.000 1.365 36 I CB 0.250 38.229 38.000 -0.035 0.000 1.407 36 I HN 0.430 8.640 8.210 -0.000 0.000 0.509 37 K N 5.263 125.641 120.400 -0.037 0.000 2.297 37 K HA 0.418 4.740 4.320 0.002 0.000 0.286 37 K C 0.451 177.072 176.600 0.034 0.000 1.053 37 K CA -0.299 55.971 56.287 -0.028 0.000 0.940 37 K CB 1.427 33.889 32.500 -0.063 0.000 1.019 37 K HN 0.815 9.065 8.250 -0.000 0.000 0.475 38 G N 1.649 110.496 108.800 0.079 0.000 2.782 38 G HA2 0.095 4.056 3.960 0.002 0.000 0.201 38 G HA3 0.095 4.056 3.960 0.002 0.000 0.201 38 G C -0.677 174.325 174.900 0.171 0.000 1.374 38 G CA -0.253 44.907 45.100 0.101 0.000 1.039 38 G HN 0.527 8.817 8.290 -0.000 0.000 0.576 39 E N -0.198 120.074 120.200 0.120 0.000 2.392 39 E HA 0.295 4.646 4.350 0.002 0.000 0.264 39 E C 0.081 176.720 176.600 0.066 0.000 1.024 39 E CA -0.354 56.102 56.400 0.093 0.000 0.903 39 E CB 0.924 30.653 29.700 0.047 0.000 0.963 39 E HN 0.299 8.659 8.360 -0.000 0.000 0.432 40 K N 3.440 123.820 120.400 -0.033 0.000 2.368 40 K HA 0.208 4.529 4.320 0.002 0.000 0.282 40 K C -0.758 175.701 176.600 -0.233 0.000 1.035 40 K CA 0.136 56.213 56.287 -0.351 0.000 0.973 40 K CB 0.202 32.504 32.500 -0.331 0.000 0.957 40 K HN 0.518 8.768 8.250 -0.000 0.000 0.474 41 I N 5.143 125.530 120.570 -0.306 0.000 2.353 41 I HA 0.313 4.484 4.170 0.002 0.000 0.293 41 I C -0.947 175.139 176.117 -0.052 0.000 0.992 41 I CA -0.813 60.416 61.300 -0.119 0.000 1.268 41 I CB 0.896 38.853 38.000 -0.073 0.000 1.387 41 I HN 0.576 8.786 8.210 -0.000 0.000 0.478 42 Y N 7.009 127.233 120.300 -0.128 0.000 2.424 42 Y HA 0.351 4.902 4.550 0.002 0.000 0.323 42 Y C -1.585 174.279 175.900 -0.060 0.000 1.174 42 Y CA -1.051 56.985 58.100 -0.107 0.000 1.060 42 Y CB 1.415 39.794 38.460 -0.134 0.000 1.314 42 Y HN 0.603 8.883 8.280 -0.000 0.000 0.439 43 N N 3.934 122.190 118.700 -0.740 0.000 2.314 43 N HA 0.518 5.259 4.740 0.002 0.000 0.294 43 N C -0.155 174.735 175.510 -1.035 0.000 1.029 43 N CA 0.428 53.055 53.050 -0.704 0.000 0.845 43 N CB 2.424 40.712 38.487 -0.330 0.000 1.321 43 N HN 0.897 9.277 8.380 -0.000 0.000 0.481 44 A N 3.042 125.410 122.820 -0.752 0.000 2.067 44 A HA -0.075 4.246 4.320 0.002 0.000 0.217 44 A C 1.676 179.153 177.584 -0.177 0.000 1.156 44 A CA 1.174 52.975 52.037 -0.392 0.000 0.683 44 A CB -0.041 18.907 19.000 -0.086 0.000 0.808 44 A HN 0.755 8.905 8.150 -0.000 0.000 0.455 45 Q N -0.521 119.179 119.800 -0.167 0.000 2.137 45 Q HA -0.045 4.296 4.340 0.002 0.000 0.198 45 Q C 2.048 178.007 176.000 -0.067 0.000 0.960 45 Q CA 1.943 57.693 55.803 -0.089 0.000 0.847 45 Q CB -0.325 28.366 28.738 -0.079 0.000 0.915 45 Q HN 0.770 9.040 8.270 -0.000 0.000 0.448 46 T N -3.170 111.326 114.554 -0.096 0.000 3.060 46 T HA 0.090 4.442 4.350 0.002 0.000 0.249 46 T C 0.350 175.038 174.700 -0.019 0.000 1.079 46 T CA 0.386 62.462 62.100 -0.041 0.000 1.013 46 T CB 0.046 68.891 68.868 -0.038 0.000 0.975 46 T HN 0.216 8.456 8.240 -0.000 0.000 0.518 47 D N 0.686 121.045 120.400 -0.068 0.000 2.737 47 D HA -0.147 4.494 4.640 0.002 0.000 0.233 47 D C -0.602 175.732 176.300 0.058 0.000 1.155 47 D CA 0.193 54.209 54.000 0.027 0.000 0.667 47 D CB -1.608 39.261 40.800 0.114 0.000 1.060 47 D HN 0.441 8.811 8.370 -0.000 0.000 0.427 48 I N 1.129 121.693 120.570 -0.010 0.000 2.496 48 I HA 0.178 4.349 4.170 0.002 0.000 0.285 48 I C 0.839 177.018 176.117 0.104 0.000 1.080 48 I CA 0.294 61.628 61.300 0.056 0.000 1.404 48 I CB 0.611 38.636 38.000 0.042 0.000 1.403 48 I HN 0.166 8.376 8.210 -0.000 0.000 0.539 49 N N 4.351 123.125 118.700 0.123 0.000 2.296 49 N HA 0.717 5.458 4.740 0.002 0.000 0.294 49 N C -0.182 175.296 175.510 -0.053 0.000 1.033 49 N CA -0.342 52.710 53.050 0.004 0.000 0.839 49 N CB 3.013 41.478 38.487 -0.035 0.000 1.395 49 N HN 0.830 9.210 8.380 -0.000 0.000 0.479 50 G N 0.625 109.230 108.800 -0.325 0.000 2.619 50 G HA2 0.592 4.553 3.960 0.002 0.000 0.305 50 G HA3 0.592 4.553 3.960 0.002 0.000 0.305 50 G C -2.100 172.469 174.900 -0.552 0.000 1.330 50 G CA -0.529 44.380 45.100 -0.317 0.000 0.789 50 G HN 0.380 8.670 8.290 -0.000 0.000 0.487 51 W N -0.660 120.524 121.300 -0.194 0.000 3.213 51 W HA 0.517 5.178 4.660 0.002 0.000 0.318 51 W C -1.146 175.280 176.519 -0.155 0.000 1.248 51 W CA -0.766 56.504 57.345 -0.126 0.000 1.187 51 W CB 2.263 31.674 29.460 -0.082 0.000 1.403 51 W HN 0.508 8.688 8.180 -0.000 0.000 0.556 52 I N 2.908 123.559 120.570 0.135 0.000 2.385 52 I HA 0.496 4.667 4.170 0.002 0.000 0.294 52 I C -0.800 175.368 176.117 0.085 0.000 0.988 52 I CA -0.351 60.992 61.300 0.071 0.000 1.265 52 I CB 0.791 38.816 38.000 0.041 0.000 1.388 52 I HN 0.235 8.445 8.210 -0.000 0.000 0.480 53 L N 6.850 128.093 121.223 0.033 0.000 2.376 53 L HA 0.653 4.994 4.340 0.002 0.000 0.258 53 L C -0.630 176.228 176.870 -0.020 0.000 1.013 53 L CA -0.906 53.933 54.840 -0.002 0.000 0.822 53 L CB 2.114 44.154 42.059 -0.032 0.000 1.388 53 L HN 0.518 8.748 8.230 -0.000 0.000 0.413 54 R N 0.566 121.041 120.500 -0.042 0.000 2.574 54 R HA 0.339 4.680 4.340 0.002 0.000 0.288 54 R C -1.889 174.384 176.300 -0.044 0.000 1.004 54 R CA -0.582 55.486 56.100 -0.053 0.000 0.895 54 R CB 1.916 32.126 30.300 -0.150 0.000 1.191 54 R HN 0.606 8.876 8.270 -0.000 0.000 0.444 55 D N 2.714 123.099 120.400 -0.025 0.000 2.441 55 D HA 0.132 4.773 4.640 0.002 0.000 0.231 55 D C -0.162 176.102 176.300 -0.061 0.000 1.073 55 D CA -0.283 53.683 54.000 -0.056 0.000 0.850 55 D CB 1.434 42.182 40.800 -0.086 0.000 1.062 55 D HN 0.504 8.874 8.370 -0.000 0.000 0.524 56 D N 1.870 122.252 120.400 -0.030 0.000 2.224 56 D HA -0.089 4.552 4.640 0.002 0.000 0.205 56 D C 1.460 177.693 176.300 -0.111 0.000 0.965 56 D CA 0.877 54.870 54.000 -0.013 0.000 0.852 56 D CB 0.453 41.282 40.800 0.049 0.000 0.947 56 D HN 0.420 8.790 8.370 -0.000 0.000 0.494 57 T N 0.235 114.731 114.554 -0.098 0.000 2.777 57 T HA -0.114 4.237 4.350 0.002 0.000 0.266 57 T C 2.018 176.632 174.700 -0.143 0.000 1.040 57 T CA 1.641 63.681 62.100 -0.100 0.000 1.141 57 T CB -0.067 68.755 68.868 -0.078 0.000 0.868 57 T HN 0.198 8.438 8.240 -0.000 0.000 0.444 58 S N -0.001 115.596 115.700 -0.172 0.000 2.540 58 S HA 0.253 4.724 4.470 0.002 0.000 0.218 58 S C 0.448 174.881 174.600 -0.278 0.000 0.977 58 S CA -0.333 57.759 58.200 -0.181 0.000 0.918 58 S CB -0.274 62.840 63.200 -0.143 0.000 0.806 58 S HN 0.458 8.768 8.310 -0.000 0.000 0.496 59 K N 1.765 121.873 120.400 -0.487 0.000 3.244 59 K HA -0.168 4.153 4.320 0.002 0.000 0.270 59 K C -0.625 175.630 176.600 -0.576 0.000 1.016 59 K CA 1.119 56.781 56.287 -1.042 0.000 0.754 59 K CB -1.752 30.252 32.500 -0.827 0.000 1.326 59 K HN 0.928 9.178 8.250 -0.000 0.000 0.465 60 E N 0.236 120.292 120.200 -0.240 0.000 2.314 60 E HA 0.526 4.878 4.350 0.002 0.000 0.272 60 E C -0.692 175.987 176.600 0.132 0.000 0.884 60 E CA -1.101 55.314 56.400 0.025 0.000 0.753 60 E CB 1.658 31.353 29.700 -0.008 0.000 1.213 60 E HN 0.162 8.522 8.360 -0.000 0.000 0.432 61 I N 3.287 123.942 120.570 0.142 0.000 2.312 61 I HA 0.324 4.495 4.170 0.002 0.000 0.290 61 I C -0.408 175.737 176.117 0.046 0.000 1.008 61 I CA -0.641 60.700 61.300 0.068 0.000 1.226 61 I CB 0.823 38.849 38.000 0.043 0.000 1.371 61 I HN 0.434 8.644 8.210 -0.000 0.000 0.468 62 I N 5.695 126.278 120.570 0.022 0.000 2.362 62 I HA 0.302 4.473 4.170 0.002 0.000 0.289 62 I C -0.192 175.931 176.117 0.009 0.000 0.994 62 I CA -0.254 61.059 61.300 0.021 0.000 1.158 62 I CB 1.811 39.805 38.000 -0.009 0.000 1.315 62 I HN 0.451 8.661 8.210 -0.000 0.000 0.451 63 T N 5.947 120.506 114.554 0.009 0.000 2.756 63 T HA 0.410 4.761 4.350 0.002 0.000 0.290 63 T C -0.576 174.047 174.700 -0.128 0.000 0.985 63 T CA -0.382 61.673 62.100 -0.075 0.000 0.955 63 T CB 1.616 70.458 68.868 -0.044 0.000 0.930 63 T HN 0.291 8.531 8.240 -0.000 0.000 0.451 64 V N 5.026 124.826 119.914 -0.189 0.000 2.628 64 V HA 0.751 4.872 4.120 0.002 0.000 0.306 64 V C -1.597 174.314 176.094 -0.305 0.000 1.045 64 V CA -0.927 61.306 62.300 -0.112 0.000 0.905 64 V CB 1.149 32.992 31.823 0.033 0.000 0.997 64 V HN 0.791 8.981 8.190 -0.000 0.000 0.436 65 F N 5.330 125.358 119.950 0.129 0.000 2.458 65 F HA 0.603 5.131 4.527 0.002 0.000 0.336 65 F C 0.492 176.313 175.800 0.036 0.000 1.114 65 F CA -0.591 57.459 58.000 0.084 0.000 0.987 65 F CB 1.433 40.462 39.000 0.049 0.000 1.130 65 F HN 0.426 8.726 8.300 -0.000 0.000 0.458 66 R N 1.363 121.956 120.500 0.154 0.000 2.623 66 R HA 0.341 4.682 4.340 0.002 0.000 0.271 66 R C 0.662 176.868 176.300 -0.155 0.000 1.043 66 R CA 0.160 56.182 56.100 -0.130 0.000 1.083 66 R CB 0.443 30.669 30.300 -0.124 0.000 0.974 66 R HN 0.928 9.198 8.270 -0.000 0.000 0.436 67 G N 1.150 109.699 108.800 -0.418 0.000 2.504 67 G HA2 0.021 3.982 3.960 0.002 0.000 0.257 67 G HA3 0.021 3.982 3.960 0.002 0.000 0.257 67 G C -0.733 174.209 174.900 0.071 0.000 1.451 67 G CA -0.497 44.587 45.100 -0.026 0.000 1.059 67 G HN 0.579 8.869 8.290 -0.000 0.000 0.550 68 T N 0.129 114.868 114.554 0.309 0.000 2.817 68 T HA 0.435 4.786 4.350 0.002 0.000 0.295 68 T C 0.905 175.812 174.700 0.346 0.000 0.958 68 T CA 0.772 63.044 62.100 0.287 0.000 1.157 68 T CB 1.016 70.053 68.868 0.282 0.000 0.898 68 T HN 0.753 8.993 8.240 -0.000 0.000 0.536 69 G N 1.755 110.702 108.800 0.245 0.000 4.165 69 G HA2 0.460 4.421 3.960 0.002 0.000 0.287 69 G HA3 0.460 4.421 3.960 0.002 0.000 0.287 69 G C -0.002 175.005 174.900 0.178 0.000 1.019 69 G CA -0.070 45.178 45.100 0.248 0.000 0.806 69 G HN 0.891 9.181 8.290 -0.000 0.000 0.447 70 S N -1.450 114.344 115.700 0.157 0.000 2.595 70 S HA 0.324 4.795 4.470 0.002 0.000 0.270 70 S C -0.080 174.586 174.600 0.111 0.000 1.145 70 S CA 0.024 58.298 58.200 0.124 0.000 0.825 70 S CB 1.436 64.706 63.200 0.118 0.000 1.107 70 S HN -0.087 8.223 8.310 -0.000 0.000 0.461 71 D N 1.024 121.478 120.400 0.090 0.000 2.178 71 D HA -0.028 4.613 4.640 0.002 0.000 0.202 71 D C 1.650 177.994 176.300 0.074 0.000 0.974 71 D CA 2.321 56.367 54.000 0.076 0.000 0.841 71 D CB -0.191 40.644 40.800 0.059 0.000 0.953 71 D HN 0.597 8.966 8.370 -0.000 0.000 0.478 72 T N -0.509 114.089 114.554 0.074 0.000 2.708 72 T HA -0.137 4.214 4.350 0.002 0.000 0.266 72 T C 1.670 176.420 174.700 0.085 0.000 1.037 72 T CA 1.368 63.509 62.100 0.068 0.000 1.146 72 T CB -0.477 68.428 68.868 0.061 0.000 0.865 72 T HN 0.311 8.551 8.240 -0.000 0.000 0.435 73 N N 0.775 119.539 118.700 0.107 0.000 2.104 73 N HA -0.054 4.687 4.740 0.002 0.000 0.190 73 N C 1.857 177.456 175.510 0.147 0.000 1.024 73 N CA 0.915 54.047 53.050 0.137 0.000 0.853 73 N CB -0.314 38.265 38.487 0.153 0.000 1.008 73 N HN 0.264 8.644 8.380 -0.000 0.000 0.424 74 L N 1.270 122.570 121.223 0.128 0.000 2.079 74 L HA -0.236 4.105 4.340 0.002 0.000 0.210 74 L C 2.456 179.378 176.870 0.088 0.000 1.081 74 L CA 1.310 56.220 54.840 0.116 0.000 0.752 74 L CB -0.356 41.761 42.059 0.096 0.000 0.896 74 L HN 0.268 8.498 8.230 -0.000 0.000 0.433 75 Q N -0.348 119.494 119.800 0.069 0.000 2.084 75 Q HA -0.211 4.130 4.340 0.002 0.000 0.202 75 Q C 2.364 178.392 176.000 0.046 0.000 0.978 75 Q CA 1.360 57.187 55.803 0.040 0.000 0.844 75 Q CB -0.171 28.586 28.738 0.031 0.000 0.898 75 Q HN 0.518 8.788 8.270 -0.000 0.000 0.426 76 L N 0.787 122.060 121.223 0.083 0.000 2.042 76 L HA -0.241 4.100 4.340 0.002 0.000 0.210 76 L C 1.923 178.850 176.870 0.096 0.000 1.076 76 L CA 1.027 55.926 54.840 0.098 0.000 0.749 76 L CB -0.595 41.565 42.059 0.168 0.000 0.893 76 L HN 0.253 8.483 8.230 -0.000 0.000 0.432 77 D N -0.241 120.248 120.400 0.150 0.000 2.158 77 D HA -0.183 4.458 4.640 0.002 0.000 0.197 77 D C 2.106 178.541 176.300 0.225 0.000 0.995 77 D CA 2.142 56.254 54.000 0.187 0.000 0.846 77 D CB -0.120 40.820 40.800 0.233 0.000 0.941 77 D HN 0.434 8.804 8.370 -0.000 0.000 0.456 78 T N -1.869 112.720 114.554 0.058 0.000 3.100 78 T HA -0.049 4.303 4.350 0.002 0.000 0.253 78 T C 0.811 175.364 174.700 -0.246 0.000 1.118 78 T CA -0.294 61.711 62.100 -0.159 0.000 1.058 78 T CB -0.072 68.693 68.868 -0.171 0.000 0.953 78 T HN -0.188 8.052 8.240 -0.000 0.000 0.515 79 N N 1.253 119.881 118.700 -0.120 0.000 2.605 79 N HA 0.056 4.797 4.740 0.002 0.000 0.258 79 N C -0.488 174.819 175.510 -0.339 0.000 1.156 79 N CA -0.633 52.306 53.050 -0.184 0.000 1.008 79 N CB -0.223 38.186 38.487 -0.129 0.000 1.354 79 N HN 0.238 8.618 8.380 -0.000 0.000 0.509 80 Y N 0.620 120.681 120.300 -0.399 0.000 2.490 80 Y HA 0.136 4.687 4.550 0.002 0.000 0.281 80 Y C 0.741 176.556 175.900 -0.142 0.000 1.174 80 Y CA -0.313 57.563 58.100 -0.372 0.000 1.295 80 Y CB -0.802 37.529 38.460 -0.215 0.000 1.062 80 Y HN 0.184 8.464 8.280 -0.000 0.000 0.522 81 T N 2.732 117.277 114.554 -0.015 0.000 2.867 81 T HA 0.142 4.493 4.350 0.002 0.000 0.297 81 T C 0.466 175.153 174.700 -0.021 0.000 0.989 81 T CA -0.143 61.955 62.100 -0.003 0.000 1.159 81 T CB 0.331 69.182 68.868 -0.029 0.000 0.928 81 T HN 0.025 8.265 8.240 -0.000 0.000 0.538 82 L N 3.843 125.046 121.223 -0.033 0.000 2.410 82 L HA 0.265 4.606 4.340 0.002 0.000 0.273 82 L C 0.791 177.589 176.870 -0.120 0.000 1.152 82 L CA 0.039 54.806 54.840 -0.122 0.000 0.855 82 L CB 0.425 42.349 42.059 -0.225 0.000 1.129 82 L HN 0.634 8.864 8.230 -0.000 0.000 0.463 83 T N 4.056 118.513 114.554 -0.161 0.000 2.848 83 T HA 0.355 4.706 4.350 0.002 0.000 0.285 83 T C -2.502 172.018 174.700 -0.299 0.000 0.995 83 T CA -1.389 60.589 62.100 -0.203 0.000 0.970 83 T CB 1.990 70.737 68.868 -0.201 0.000 0.976 83 T HN 0.237 8.477 8.240 -0.000 0.000 0.441 84 P HA 0.068 4.488 4.420 -0.000 0.000 0.264 84 P C -0.620 176.502 177.300 -0.296 0.000 1.183 84 P CA -0.251 62.731 63.100 -0.196 0.000 0.763 84 P CB 0.210 31.837 31.700 -0.123 0.000 0.807 85 F N 3.987 123.721 119.950 -0.359 0.000 2.626 85 F HA 0.110 4.638 4.527 0.002 0.000 0.353 85 F C 0.796 176.548 175.800 -0.079 0.000 1.230 85 F CA -0.101 57.709 58.000 -0.316 0.000 1.298 85 F CB -0.591 38.242 39.000 -0.278 0.000 1.670 85 F HN 0.225 8.525 8.300 -0.000 0.000 0.633 86 D N 0.441 120.747 120.400 -0.156 0.000 2.310 86 D HA -0.142 4.499 4.640 0.002 0.000 0.212 86 D C 2.285 178.511 176.300 -0.124 0.000 0.965 86 D CA 1.458 55.408 54.000 -0.083 0.000 0.879 86 D CB -0.019 40.786 40.800 0.009 0.000 0.921 86 D HN 0.497 8.867 8.370 -0.000 0.000 0.510 87 T N -1.736 112.672 114.554 -0.244 0.000 3.035 87 T HA 0.001 4.352 4.350 0.002 0.000 0.268 87 T C 1.165 175.724 174.700 -0.235 0.000 1.109 87 T CA 0.249 62.243 62.100 -0.176 0.000 1.119 87 T CB 0.149 69.042 68.868 0.042 0.000 0.900 87 T HN 0.060 8.300 8.240 -0.000 0.000 0.503 88 L N 2.716 123.703 121.223 -0.393 0.000 2.387 88 L HA 0.320 4.661 4.340 0.002 0.000 0.259 88 L C -1.579 175.232 176.870 -0.099 0.000 1.050 88 L CA -2.211 52.529 54.840 -0.167 0.000 0.922 88 L CB 1.903 43.901 42.059 -0.102 0.000 1.280 88 L HN -0.034 8.196 8.230 -0.000 0.000 0.449 89 P HA -0.202 4.218 4.420 -0.000 0.000 0.222 89 P C 1.058 178.354 177.300 -0.005 0.000 1.147 89 P CA 0.910 63.993 63.100 -0.028 0.000 0.790 89 P CB 0.208 31.899 31.700 -0.015 0.000 0.780 90 Q N -0.757 119.049 119.800 0.010 0.000 2.435 90 Q HA -0.054 4.287 4.340 0.002 0.000 0.207 90 Q C 0.751 176.786 176.000 0.057 0.000 0.956 90 Q CA 0.509 56.347 55.803 0.059 0.000 0.917 90 Q CB -1.323 27.485 28.738 0.118 0.000 0.997 90 Q HN 0.136 8.406 8.270 -0.000 0.000 0.497 91 C N 3.580 122.826 119.300 -0.090 0.000 2.305 91 C HA 0.284 4.745 4.460 0.002 0.000 0.378 91 C C 0.318 175.307 174.990 -0.001 0.000 1.047 91 C CA -0.879 58.021 59.018 -0.196 0.000 1.385 91 C CB -2.271 25.232 27.740 -0.396 0.000 1.825 91 C HN 0.491 8.721 8.230 -0.000 0.000 0.508 92 N N 3.512 122.250 118.700 0.063 0.000 2.452 92 N HA 0.085 4.827 4.740 0.002 0.000 0.266 92 N C 0.531 176.069 175.510 0.047 0.000 1.209 92 N CA 0.768 53.849 53.050 0.052 0.000 0.929 92 N CB 0.337 38.860 38.487 0.060 0.000 1.063 92 N HN 0.674 9.054 8.380 -0.000 0.000 0.472 93 D N 1.232 121.646 120.400 0.024 0.000 3.059 93 D HA -0.200 4.441 4.640 0.002 0.000 0.220 93 D C -0.657 175.649 176.300 0.011 0.000 1.169 93 D CA 0.539 54.544 54.000 0.009 0.000 0.902 93 D CB -1.833 38.972 40.800 0.009 0.000 1.116 93 D HN 0.436 8.806 8.370 -0.000 0.000 0.417 94 C N 1.520 120.841 119.300 0.036 0.000 2.632 94 C HA 0.306 4.767 4.460 0.002 0.000 0.415 94 C C 0.974 175.944 174.990 -0.033 0.000 1.332 94 C CA -0.170 58.884 59.018 0.059 0.000 1.874 94 C CB 0.064 27.895 27.740 0.153 0.000 2.596 94 C HN 0.072 8.302 8.230 -0.000 0.000 0.590 95 E N 1.288 121.414 120.200 -0.122 0.000 2.317 95 E HA 0.667 5.018 4.350 0.002 0.000 0.270 95 E C -0.967 175.406 176.600 -0.378 0.000 0.885 95 E CA -0.587 55.675 56.400 -0.230 0.000 0.760 95 E CB 2.142 31.716 29.700 -0.210 0.000 1.227 95 E HN 0.571 8.931 8.360 -0.000 0.000 0.434 96 V N -1.638 118.037 119.914 -0.398 0.000 3.074 96 V HA 0.405 4.526 4.120 0.002 0.000 0.314 96 V C 0.065 176.119 176.094 -0.068 0.000 1.117 96 V CA -1.040 61.031 62.300 -0.383 0.000 1.014 96 V CB 1.723 33.195 31.823 -0.585 0.000 1.057 96 V HN 0.790 8.980 8.190 -0.000 0.000 0.438 97 H N 1.149 120.238 119.070 0.033 0.000 3.125 97 H HA 0.065 4.622 4.556 0.002 0.000 0.310 97 H C 1.291 176.650 175.328 0.051 0.000 0.980 97 H CA 1.251 57.375 56.048 0.127 0.000 1.422 97 H CB 1.429 31.258 29.762 0.111 0.000 1.432 97 H HN 1.033 9.313 8.280 -0.000 0.000 0.577 98 G N 3.822 112.544 108.800 -0.129 0.000 2.402 98 G HA2 -0.213 3.748 3.960 0.002 0.000 0.216 98 G HA3 -0.213 3.748 3.960 0.002 0.000 0.216 98 G C 1.689 176.641 174.900 0.087 0.000 1.162 98 G CA 0.467 45.571 45.100 0.006 0.000 0.777 98 G HN 0.716 9.006 8.290 -0.000 0.000 0.539 99 G N 0.180 108.956 108.800 -0.040 0.000 2.446 99 G HA2 -0.215 3.746 3.960 0.002 0.000 0.217 99 G HA3 -0.215 3.746 3.960 0.002 0.000 0.217 99 G C 1.614 176.657 174.900 0.237 0.000 1.168 99 G CA 1.026 46.175 45.100 0.082 0.000 0.771 99 G HN 0.393 8.683 8.290 -0.000 0.000 0.551 100 Y N -0.781 119.807 120.300 0.480 0.000 2.352 100 Y HA -0.016 4.535 4.550 0.002 0.000 0.292 100 Y C 2.364 178.418 175.900 0.258 0.000 1.136 100 Y CA -0.048 58.180 58.100 0.213 0.000 1.227 100 Y CB -1.038 37.436 38.460 0.023 0.000 0.991 100 Y HN 0.329 8.609 8.280 -0.000 0.000 0.545 101 Y N 0.280 120.761 120.300 0.302 0.000 2.200 101 Y HA -0.175 4.376 4.550 0.002 0.000 0.290 101 Y C 2.147 178.198 175.900 0.251 0.000 1.137 101 Y CA 0.983 59.266 58.100 0.305 0.000 1.163 101 Y CB -0.601 37.997 38.460 0.230 0.000 0.988 101 Y HN 0.051 8.331 8.280 -0.000 0.000 0.518 102 I N -0.418 120.246 120.570 0.156 0.000 2.226 102 I HA -0.281 3.890 4.170 0.002 0.000 0.245 102 I C 2.663 178.777 176.117 -0.005 0.000 1.100 102 I CA 1.385 62.694 61.300 0.015 0.000 1.374 102 I CB -1.053 36.977 38.000 0.049 0.000 1.057 102 I HN 0.334 8.544 8.210 -0.000 0.000 0.413 103 G N 0.810 109.669 108.800 0.098 0.000 2.459 103 G HA2 -0.297 3.664 3.960 0.002 0.000 0.217 103 G HA3 -0.297 3.664 3.960 0.002 0.000 0.217 103 G C 1.518 176.450 174.900 0.054 0.000 1.183 103 G CA 0.677 45.825 45.100 0.080 0.000 0.776 103 G HN 0.625 8.915 8.290 -0.000 0.000 0.552 104 W N 1.005 122.250 121.300 -0.091 0.000 2.333 104 W HA -0.166 4.496 4.660 0.002 0.000 0.316 104 W C 2.054 178.485 176.519 -0.148 0.000 1.215 104 W CA 1.085 58.362 57.345 -0.113 0.000 1.278 104 W CB -0.275 29.173 29.460 -0.020 0.000 1.154 104 W HN 0.121 8.301 8.180 -0.000 0.000 0.486 105 I N 2.292 122.520 120.570 -0.570 0.000 2.264 105 I HA -0.298 3.873 4.170 0.002 0.000 0.248 105 I C 2.818 178.653 176.117 -0.470 0.000 1.111 105 I CA 2.101 62.972 61.300 -0.716 0.000 1.382 105 I CB -1.831 35.827 38.000 -0.570 0.000 1.060 105 I HN 0.131 8.341 8.210 -0.000 0.000 0.418 106 S N 0.938 116.459 115.700 -0.299 0.000 2.442 106 S HA -0.086 4.385 4.470 0.002 0.000 0.236 106 S C 1.612 176.086 174.600 -0.208 0.000 1.007 106 S CA 1.271 59.342 58.200 -0.215 0.000 0.965 106 S CB -0.645 62.464 63.200 -0.153 0.000 0.773 106 S HN 0.389 8.699 8.310 -0.000 0.000 0.504 107 V N -1.733 118.049 119.914 -0.220 0.000 3.477 107 V HA 0.318 4.439 4.120 0.002 0.000 0.297 107 V C 2.130 178.087 176.094 -0.228 0.000 1.433 107 V CA 0.419 62.633 62.300 -0.143 0.000 1.052 107 V CB -0.575 31.271 31.823 0.039 0.000 0.895 107 V HN 0.480 8.670 8.190 -0.000 0.000 0.438 108 Q N 1.288 120.750 119.800 -0.562 0.000 2.112 108 Q HA -0.293 4.048 4.340 0.002 0.000 0.206 108 Q C 1.663 177.477 176.000 -0.310 0.000 0.987 108 Q CA 2.743 58.066 55.803 -0.799 0.000 0.858 108 Q CB -0.144 27.837 28.738 -1.262 0.000 0.905 108 Q HN 0.672 8.942 8.270 -0.000 0.000 0.420 109 D N 0.149 120.407 120.400 -0.236 0.000 2.144 109 D HA -0.141 4.500 4.640 0.002 0.000 0.200 109 D C 1.982 178.254 176.300 -0.046 0.000 0.978 109 D CA 1.191 55.120 54.000 -0.117 0.000 0.833 109 D CB -0.172 40.565 40.800 -0.105 0.000 0.961 109 D HN 0.444 8.814 8.370 -0.000 0.000 0.470 110 Q N 0.176 119.948 119.800 -0.046 0.000 2.046 110 Q HA -0.078 4.264 4.340 0.002 0.000 0.200 110 Q C 2.387 178.413 176.000 0.045 0.000 0.975 110 Q CA 0.899 56.702 55.803 -0.001 0.000 0.836 110 Q CB -0.033 28.703 28.738 -0.004 0.000 0.896 110 Q HN 0.136 8.406 8.270 -0.000 0.000 0.428 111 V N 1.388 121.353 119.914 0.084 0.000 2.295 111 V HA -0.271 3.850 4.120 0.002 0.000 0.246 111 V C 1.909 178.106 176.094 0.173 0.000 1.049 111 V CA 2.060 64.465 62.300 0.175 0.000 1.024 111 V CB -0.518 31.523 31.823 0.363 0.000 0.648 111 V HN 0.358 8.548 8.190 -0.000 0.000 0.447 112 E N 0.591 120.888 120.200 0.162 0.000 2.106 112 E HA -0.164 4.187 4.350 0.002 0.000 0.192 112 E C 2.372 179.057 176.600 0.142 0.000 0.984 112 E CA 1.529 58.042 56.400 0.188 0.000 0.806 112 E CB -0.198 29.604 29.700 0.169 0.000 0.750 112 E HN 0.779 9.139 8.360 -0.000 0.000 0.458 113 S N 0.891 116.644 115.700 0.088 0.000 2.371 113 S HA -0.089 4.382 4.470 0.002 0.000 0.224 113 S C 2.098 176.740 174.600 0.070 0.000 1.029 113 S CA 0.558 58.801 58.200 0.071 0.000 0.978 113 S CB -0.458 62.767 63.200 0.041 0.000 0.833 113 S HN 0.133 8.443 8.310 -0.000 0.000 0.466 114 L N 1.112 122.374 121.223 0.064 0.000 2.056 114 L HA -0.025 4.316 4.340 0.002 0.000 0.207 114 L C 2.722 179.622 176.870 0.049 0.000 1.078 114 L CA 0.887 55.759 54.840 0.053 0.000 0.749 114 L CB -0.643 41.444 42.059 0.047 0.000 0.901 114 L HN 0.234 8.464 8.230 -0.000 0.000 0.433 115 V N 0.003 119.949 119.914 0.053 0.000 2.358 115 V HA -0.292 3.829 4.120 0.002 0.000 0.246 115 V C 2.553 178.633 176.094 -0.023 0.000 1.047 115 V CA 1.759 64.052 62.300 -0.010 0.000 1.035 115 V CB -0.511 31.297 31.823 -0.025 0.000 0.658 115 V HN 0.431 8.621 8.190 -0.000 0.000 0.452 116 K N -0.058 120.400 120.400 0.097 0.000 2.063 116 K HA -0.285 4.037 4.320 0.002 0.000 0.208 116 K C 2.303 178.960 176.600 0.096 0.000 1.048 116 K CA 2.073 58.465 56.287 0.176 0.000 0.928 116 K CB -0.139 32.476 32.500 0.191 0.000 0.713 116 K HN 0.553 8.803 8.250 -0.000 0.000 0.442 117 Q N -0.106 119.734 119.800 0.066 0.000 2.050 117 Q HA -0.203 4.138 4.340 0.002 0.000 0.202 117 Q C 2.132 178.157 176.000 0.041 0.000 0.980 117 Q CA 1.468 57.298 55.803 0.045 0.000 0.840 117 Q CB 0.115 28.879 28.738 0.044 0.000 0.898 117 Q HN 0.330 8.600 8.270 -0.000 0.000 0.424 118 Q N -0.179 119.655 119.800 0.056 0.000 2.049 118 Q HA -0.085 4.257 4.340 0.002 0.000 0.198 118 Q C 2.090 178.146 176.000 0.093 0.000 0.971 118 Q CA 1.398 57.269 55.803 0.114 0.000 0.833 118 Q CB -0.458 28.324 28.738 0.072 0.000 0.896 118 Q HN 0.493 8.763 8.270 -0.000 0.000 0.434 119 A N 0.879 123.701 122.820 0.004 0.000 1.908 119 A HA -0.175 4.146 4.320 0.002 0.000 0.218 119 A C 2.463 180.074 177.584 0.045 0.000 1.181 119 A CA 1.938 53.969 52.037 -0.009 0.000 0.627 119 A CB -0.542 18.356 19.000 -0.169 0.000 0.818 119 A HN 0.337 8.487 8.150 -0.000 0.000 0.445 120 S N -0.746 114.982 115.700 0.047 0.000 2.368 120 S HA -0.183 4.288 4.470 0.002 0.000 0.225 120 S C 2.117 176.669 174.600 -0.080 0.000 1.030 120 S CA 1.631 59.844 58.200 0.020 0.000 0.999 120 S CB -0.257 62.958 63.200 0.024 0.000 0.844 120 S HN 0.680 8.990 8.310 -0.000 0.000 0.459 121 Q N 0.331 120.020 119.800 -0.184 0.000 2.137 121 Q HA 0.035 4.376 4.340 0.002 0.000 0.198 121 Q C -0.340 175.274 176.000 -0.643 0.000 0.960 121 Q CA 1.222 56.751 55.803 -0.457 0.000 0.847 121 Q CB -0.036 28.298 28.738 -0.672 0.000 0.915 121 Q HN 0.614 8.884 8.270 -0.000 0.000 0.448 122 Y N 0.399 120.577 120.300 -0.204 0.000 2.553 122 Y HA 0.339 4.890 4.550 0.002 0.000 0.369 122 Y C -1.836 173.980 175.900 -0.139 0.000 0.964 122 Y CA -2.298 55.579 58.100 -0.371 0.000 1.156 122 Y CB 1.148 39.037 38.460 -0.951 0.000 1.218 122 Y HN 0.195 8.475 8.280 -0.000 0.000 0.630 123 P HA -0.116 4.304 4.420 -0.000 0.000 0.229 123 P C 0.563 177.961 177.300 0.164 0.000 1.160 123 P CA 1.259 64.423 63.100 0.106 0.000 0.777 123 P CB 0.417 32.160 31.700 0.072 0.000 0.814 124 D N -2.082 118.452 120.400 0.224 0.000 2.349 124 D HA -0.085 4.557 4.640 0.002 0.000 0.224 124 D C 0.161 176.669 176.300 0.346 0.000 1.029 124 D CA -0.087 54.063 54.000 0.250 0.000 0.879 124 D CB -0.760 40.171 40.800 0.219 0.000 0.906 124 D HN 0.105 8.475 8.370 -0.000 0.000 0.528 125 Y N 1.336 121.690 120.300 0.091 0.000 2.320 125 Y HA 0.529 5.080 4.550 0.002 0.000 0.324 125 Y C 0.947 176.878 175.900 0.052 0.000 1.190 125 Y CA -2.067 56.069 58.100 0.060 0.000 1.215 125 Y CB 0.992 39.481 38.460 0.048 0.000 1.221 125 Y HN -0.040 8.240 8.280 -0.000 0.000 0.486 126 A N 3.355 126.273 122.820 0.163 0.000 2.386 126 A HA 0.475 4.796 4.320 0.002 0.000 0.248 126 A C -0.627 177.035 177.584 0.129 0.000 1.082 126 A CA -0.474 51.639 52.037 0.128 0.000 0.789 126 A CB -0.082 18.980 19.000 0.104 0.000 1.025 126 A HN 0.757 8.907 8.150 -0.000 0.000 0.490 127 L N 2.422 123.710 121.223 0.108 0.000 2.277 127 L HA 0.317 4.658 4.340 0.002 0.000 0.284 127 L C -0.156 176.792 176.870 0.129 0.000 1.028 127 L CA -0.186 54.703 54.840 0.081 0.000 0.835 127 L CB 1.069 43.136 42.059 0.013 0.000 1.215 127 L HN 0.680 8.910 8.230 -0.000 0.000 0.425 128 T N 2.563 117.200 114.554 0.137 0.000 2.829 128 T HA 0.568 4.919 4.350 0.002 0.000 0.282 128 T C -0.083 174.719 174.700 0.170 0.000 0.990 128 T CA -0.387 61.830 62.100 0.195 0.000 1.028 128 T CB 2.130 71.120 68.868 0.204 0.000 0.951 128 T HN 0.173 8.413 8.240 -0.000 0.000 0.460 129 V N 2.559 122.595 119.914 0.203 0.000 2.588 129 V HA 0.794 4.915 4.120 0.002 0.000 0.304 129 V C 0.104 176.328 176.094 0.217 0.000 1.042 129 V CA -0.688 61.724 62.300 0.186 0.000 0.877 129 V CB 1.857 33.791 31.823 0.185 0.000 0.996 129 V HN 0.951 9.141 8.190 -0.000 0.000 0.425 130 T N 2.203 116.888 114.554 0.219 0.000 2.868 130 T HA 0.897 5.248 4.350 0.002 0.000 0.306 130 T C -0.406 174.458 174.700 0.273 0.000 1.224 130 T CA 0.263 62.519 62.100 0.261 0.000 1.012 130 T CB 1.983 71.017 68.868 0.277 0.000 1.221 130 T HN 1.438 9.678 8.240 -0.000 0.000 0.499 131 G N 1.420 110.408 108.800 0.314 0.000 2.356 131 G HA2 0.402 4.363 3.960 0.002 0.000 0.294 131 G HA3 0.402 4.363 3.960 0.002 0.000 0.294 131 G C -2.076 173.040 174.900 0.361 0.000 1.423 131 G CA -0.681 44.599 45.100 0.301 0.000 0.806 131 G HN 0.922 9.212 8.290 -0.000 0.000 0.527 132 H N 0.407 119.596 119.070 0.199 0.000 2.495 132 H HA 0.666 5.223 4.556 0.002 0.000 0.348 132 H C 0.811 176.245 175.328 0.177 0.000 1.113 132 H CA 0.655 56.811 56.048 0.179 0.000 1.195 132 H CB 1.861 31.730 29.762 0.178 0.000 1.521 132 H HN 1.065 9.345 8.280 -0.000 0.000 0.509 133 S N 2.667 118.175 115.700 -0.321 0.000 4.114 133 S HA -0.333 4.138 4.470 0.002 0.000 0.618 133 S C 1.710 176.236 174.600 -0.122 0.000 1.937 133 S CA 1.475 59.589 58.200 -0.143 0.000 4.228 133 S CB -1.402 61.772 63.200 -0.042 0.000 0.216 133 S HN 0.753 9.063 8.310 -0.000 0.000 0.528 134 L N 1.751 122.929 121.223 -0.074 0.000 2.081 134 L HA 0.030 4.371 4.340 0.002 0.000 0.212 134 L C 2.270 178.969 176.870 -0.286 0.000 1.080 134 L CA 2.500 57.176 54.840 -0.274 0.000 0.754 134 L CB -1.006 41.054 42.059 0.002 0.000 0.893 134 L HN 0.687 8.917 8.230 -0.000 0.000 0.433 135 G N -1.196 107.558 108.800 -0.076 0.000 2.443 135 G HA2 -0.172 3.789 3.960 0.002 0.000 0.219 135 G HA3 -0.172 3.789 3.960 0.002 0.000 0.219 135 G C 1.590 176.504 174.900 0.024 0.000 1.131 135 G CA 0.592 45.706 45.100 0.023 0.000 0.775 135 G HN 0.597 8.887 8.290 -0.000 0.000 0.547 136 A N 0.848 123.653 122.820 -0.025 0.000 1.873 136 A HA 0.044 4.365 4.320 0.002 0.000 0.215 136 A C 2.686 180.186 177.584 -0.139 0.000 1.186 136 A CA 2.163 54.182 52.037 -0.030 0.000 0.616 136 A CB -0.591 18.395 19.000 -0.022 0.000 0.823 136 A HN 0.282 8.432 8.150 -0.000 0.000 0.442 137 S N -0.504 115.008 115.700 -0.313 0.000 2.383 137 S HA -0.111 4.360 4.470 0.002 0.000 0.227 137 S C 2.051 176.439 174.600 -0.354 0.000 1.026 137 S CA 1.471 59.437 58.200 -0.391 0.000 0.981 137 S CB -0.310 62.400 63.200 -0.817 0.000 0.818 137 S HN 0.450 8.760 8.310 -0.000 0.000 0.472 138 M N 1.415 120.759 119.600 -0.425 0.000 2.108 138 M HA -0.088 4.393 4.480 0.002 0.000 0.261 138 M C 2.457 178.475 176.300 -0.470 0.000 1.066 138 M CA 1.530 56.511 55.300 -0.532 0.000 1.107 138 M CB -1.659 30.412 32.600 -0.881 0.000 1.356 138 M HN 0.382 8.672 8.290 -0.000 0.000 0.406 139 A N 0.043 122.766 122.820 -0.161 0.000 1.902 139 A HA 0.003 4.324 4.320 0.002 0.000 0.217 139 A C 2.445 179.980 177.584 -0.082 0.000 1.181 139 A CA 2.143 54.233 52.037 0.088 0.000 0.623 139 A CB -0.913 18.189 19.000 0.170 0.000 0.818 139 A HN 0.484 8.634 8.150 -0.000 0.000 0.443 140 A N -0.533 122.187 122.820 -0.167 0.000 1.877 140 A HA -0.029 4.292 4.320 0.002 0.000 0.216 140 A C 2.020 179.504 177.584 -0.166 0.000 1.186 140 A CA 1.757 53.657 52.037 -0.228 0.000 0.620 140 A CB -0.611 18.306 19.000 -0.138 0.000 0.822 140 A HN 0.396 8.546 8.150 -0.000 0.000 0.443 141 L N -0.269 120.818 121.223 -0.227 0.000 2.046 141 L HA -0.133 4.208 4.340 0.002 0.000 0.208 141 L C 2.740 179.282 176.870 -0.546 0.000 1.077 141 L CA 2.353 56.953 54.840 -0.401 0.000 0.747 141 L CB -1.206 40.566 42.059 -0.479 0.000 0.896 141 L HN 0.365 8.595 8.230 -0.000 0.000 0.432 142 T N -0.666 113.604 114.554 -0.473 0.000 2.737 142 T HA -0.163 4.188 4.350 0.002 0.000 0.265 142 T C 1.976 176.647 174.700 -0.050 0.000 1.038 142 T CA 1.321 63.219 62.100 -0.336 0.000 1.144 142 T CB -0.376 68.590 68.868 0.163 0.000 0.866 142 T HN 0.411 8.651 8.240 -0.000 0.000 0.434 143 A N 1.442 124.267 122.820 0.009 0.000 1.933 143 A HA 0.128 4.449 4.320 0.002 0.000 0.218 143 A C 2.627 180.375 177.584 0.273 0.000 1.175 143 A CA 1.869 53.988 52.037 0.136 0.000 0.628 143 A CB -1.099 17.896 19.000 -0.007 0.000 0.814 143 A HN 0.504 8.654 8.150 -0.000 0.000 0.444 144 A N -1.034 121.888 122.820 0.170 0.000 1.865 144 A HA -0.260 4.062 4.320 0.002 0.000 0.217 144 A C 2.222 180.015 177.584 0.349 0.000 1.191 144 A CA 1.928 54.166 52.037 0.334 0.000 0.623 144 A CB -0.602 18.599 19.000 0.335 0.000 0.826 144 A HN 0.520 8.670 8.150 -0.000 0.000 0.444 145 Q N -0.113 119.832 119.800 0.241 0.000 2.061 145 Q HA -0.140 4.201 4.340 0.002 0.000 0.204 145 Q C 2.117 178.282 176.000 0.274 0.000 0.984 145 Q CA 1.807 57.756 55.803 0.242 0.000 0.846 145 Q CB -0.351 28.523 28.738 0.227 0.000 0.902 145 Q HN 0.718 8.988 8.270 -0.000 0.000 0.421 146 L N 0.774 122.173 121.223 0.294 0.000 2.093 146 L HA -0.155 4.186 4.340 0.002 0.000 0.208 146 L C 2.628 179.693 176.870 0.326 0.000 1.085 146 L CA 1.374 56.444 54.840 0.384 0.000 0.755 146 L CB -0.660 41.603 42.059 0.342 0.000 0.904 146 L HN 0.248 8.478 8.230 -0.000 0.000 0.435 147 S N 0.168 116.013 115.700 0.241 0.000 2.442 147 S HA -0.121 4.350 4.470 0.002 0.000 0.236 147 S C 1.993 176.641 174.600 0.080 0.000 1.007 147 S CA 0.812 59.062 58.200 0.083 0.000 0.965 147 S CB -0.272 62.876 63.200 -0.086 0.000 0.773 147 S HN 0.351 8.661 8.310 -0.000 0.000 0.504 148 A N 0.583 123.496 122.820 0.154 0.000 2.123 148 A HA 0.208 4.529 4.320 0.002 0.000 0.214 148 A C 2.143 179.748 177.584 0.034 0.000 1.152 148 A CA 1.280 53.391 52.037 0.123 0.000 0.728 148 A CB -0.557 18.550 19.000 0.178 0.000 0.814 148 A HN 0.549 8.699 8.150 -0.000 0.000 0.464 149 T N -2.158 112.390 114.554 -0.010 0.000 3.026 149 T HA 0.283 4.634 4.350 0.002 0.000 0.245 149 T C -0.189 174.326 174.700 -0.309 0.000 1.004 149 T CA 0.338 62.308 62.100 -0.217 0.000 1.069 149 T CB -0.025 68.608 68.868 -0.392 0.000 1.005 149 T HN 0.317 8.557 8.240 -0.000 0.000 0.472 150 Y N 2.428 122.760 120.300 0.053 0.000 2.528 150 Y HA 0.449 5.000 4.550 0.001 0.000 0.335 150 Y C 0.260 176.172 175.900 0.021 0.000 1.093 150 Y CA -2.142 55.986 58.100 0.048 0.000 1.134 150 Y CB 0.803 39.305 38.460 0.071 0.000 1.253 150 Y HN 0.113 8.393 8.280 -0.000 0.000 0.478 151 D N 0.182 120.704 120.400 0.204 0.000 2.340 151 D HA 0.101 4.742 4.640 0.002 0.000 0.251 151 D C -0.240 176.126 176.300 0.111 0.000 1.080 151 D CA -0.432 53.631 54.000 0.105 0.000 0.971 151 D CB 1.013 41.861 40.800 0.081 0.000 1.137 151 D HN 0.582 8.952 8.370 -0.000 0.000 0.475 152 N N -0.485 118.251 118.700 0.058 0.000 2.756 152 N HA -0.144 4.597 4.740 0.002 0.000 0.248 152 N C -1.356 174.207 175.510 0.088 0.000 1.062 152 N CA 0.298 53.388 53.050 0.068 0.000 0.696 152 N CB -1.291 37.249 38.487 0.089 0.000 0.946 152 N HN 0.349 8.729 8.380 -0.000 0.000 0.548 153 V N 1.347 121.297 119.914 0.059 0.000 2.465 153 V HA 0.435 4.557 4.120 0.002 0.000 0.279 153 V C 0.915 177.140 176.094 0.219 0.000 1.045 153 V CA -0.225 62.154 62.300 0.130 0.000 0.938 153 V CB 1.527 33.428 31.823 0.130 0.000 0.986 153 V HN 0.149 8.339 8.190 -0.000 0.000 0.467 154 R N 3.972 124.630 120.500 0.264 0.000 2.740 154 R HA 0.773 5.114 4.340 0.002 0.000 0.282 154 R C -1.518 174.885 176.300 0.172 0.000 0.969 154 R CA -0.923 55.330 56.100 0.255 0.000 0.918 154 R CB 2.274 32.712 30.300 0.231 0.000 1.175 154 R HN 0.516 8.786 8.270 -0.000 0.000 0.464 155 L N 2.543 123.753 121.223 -0.023 0.000 2.406 155 L HA 0.457 4.798 4.340 0.002 0.000 0.272 155 L C -1.867 174.910 176.870 -0.155 0.000 0.980 155 L CA -0.552 54.194 54.840 -0.157 0.000 0.831 155 L CB 1.264 42.953 42.059 -0.617 0.000 1.253 155 L HN 0.528 8.758 8.230 -0.000 0.000 0.406 156 Y N 2.907 123.250 120.300 0.072 0.000 2.326 156 Y HA 0.670 5.221 4.550 0.002 0.000 0.331 156 Y C 0.436 176.222 175.900 -0.189 0.000 0.962 156 Y CA -0.568 57.525 58.100 -0.012 0.000 1.167 156 Y CB 2.087 40.551 38.460 0.005 0.000 1.148 156 Y HN 0.669 8.949 8.280 -0.000 0.000 0.463 157 T N -0.193 114.226 114.554 -0.226 0.000 2.908 157 T HA 0.794 5.145 4.350 0.002 0.000 0.290 157 T C -1.108 173.153 174.700 -0.731 0.000 1.034 157 T CA -0.789 61.139 62.100 -0.286 0.000 1.010 157 T CB 1.189 70.037 68.868 -0.034 0.000 1.068 157 T HN 0.229 8.469 8.240 -0.000 0.000 0.481 158 F N 0.476 120.414 119.950 -0.020 0.000 2.507 158 F HA 0.638 5.166 4.527 0.002 0.000 0.328 158 F C 1.165 176.776 175.800 -0.315 0.000 1.136 158 F CA -0.499 57.328 58.000 -0.287 0.000 0.930 158 F CB 1.808 40.532 39.000 -0.461 0.000 1.166 158 F HN 1.103 9.403 8.300 -0.000 0.000 0.436 159 G N 1.672 110.427 108.800 -0.077 0.000 2.273 159 G HA2 -0.299 3.662 3.960 0.002 0.000 0.280 159 G HA3 -0.299 3.662 3.960 0.002 0.000 0.280 159 G C -0.009 174.964 174.900 0.122 0.000 1.047 159 G CA 0.038 45.256 45.100 0.196 0.000 0.869 159 G HN 0.724 9.014 8.290 -0.000 0.000 0.502 160 E N 0.682 120.922 120.200 0.068 0.000 2.324 160 E HA 0.310 4.661 4.350 0.002 0.000 0.271 160 E C -1.708 174.978 176.600 0.142 0.000 1.028 160 E CA -1.909 54.527 56.400 0.059 0.000 0.890 160 E CB 0.916 30.660 29.700 0.074 0.000 1.004 160 E HN 0.214 8.574 8.360 -0.000 0.000 0.431 161 P HA -0.048 4.372 4.420 -0.000 0.000 0.271 161 P C -0.829 176.536 177.300 0.108 0.000 1.238 161 P CA 0.229 63.368 63.100 0.064 0.000 0.794 161 P CB 0.417 32.128 31.700 0.019 0.000 0.959 162 R N 0.847 121.270 120.500 -0.129 0.000 2.404 162 R HA 0.112 4.453 4.340 0.002 0.000 0.315 162 R C 0.926 177.273 176.300 0.079 0.000 1.032 162 R CA 0.222 56.171 56.100 -0.252 0.000 0.992 162 R CB -0.287 29.802 30.300 -0.352 0.000 0.959 162 R HN 0.458 8.728 8.270 -0.000 0.000 0.428 163 S N 1.140 116.948 115.700 0.180 0.000 2.496 163 S HA 0.101 4.572 4.470 0.002 0.000 0.224 163 S C 0.833 175.538 174.600 0.175 0.000 0.996 163 S CA 0.644 58.964 58.200 0.200 0.000 0.927 163 S CB 0.588 63.893 63.200 0.175 0.000 0.774 163 S HN 0.884 9.194 8.310 -0.000 0.000 0.524 164 G N 1.447 110.375 108.800 0.213 0.000 2.494 164 G HA2 0.348 4.309 3.960 0.002 0.000 0.308 164 G HA3 0.348 4.309 3.960 0.002 0.000 0.308 164 G C -1.494 173.354 174.900 -0.087 0.000 1.263 164 G CA -0.769 44.299 45.100 -0.054 0.000 0.840 164 G HN 0.254 8.544 8.290 -0.000 0.000 0.479 165 N N -0.892 117.716 118.700 -0.152 0.000 2.418 165 N HA 0.290 5.031 4.740 0.002 0.000 0.283 165 N C 1.048 176.561 175.510 0.006 0.000 1.267 165 N CA -0.288 52.670 53.050 -0.154 0.000 0.975 165 N CB 0.898 39.265 38.487 -0.201 0.000 1.167 165 N HN 0.497 8.877 8.380 -0.000 0.000 0.581 166 Q N -0.530 119.263 119.800 -0.012 0.000 2.172 166 Q HA 0.134 4.475 4.340 0.002 0.000 0.200 166 Q C 1.718 177.746 176.000 0.048 0.000 0.964 166 Q CA 1.838 57.653 55.803 0.020 0.000 0.855 166 Q CB -0.695 28.044 28.738 0.002 0.000 0.918 166 Q HN 0.723 8.993 8.270 -0.000 0.000 0.444 167 A N -0.246 122.605 122.820 0.053 0.000 1.902 167 A HA -0.160 4.161 4.320 0.002 0.000 0.217 167 A C 1.931 179.607 177.584 0.155 0.000 1.181 167 A CA 1.411 53.499 52.037 0.086 0.000 0.623 167 A CB -0.980 18.060 19.000 0.066 0.000 0.818 167 A HN 0.556 8.706 8.150 -0.000 0.000 0.443 168 F N 0.994 120.939 119.950 -0.009 0.000 2.134 168 F HA -0.054 4.474 4.527 0.003 0.000 0.299 168 F C 2.528 178.371 175.800 0.070 0.000 1.097 168 F CA 0.916 58.910 58.000 -0.011 0.000 1.264 168 F CB -0.627 38.298 39.000 -0.125 0.000 1.001 168 F HN 0.250 8.550 8.300 -0.000 0.000 0.479 169 A N -0.705 122.124 122.820 0.015 0.000 1.877 169 A HA -0.174 4.148 4.320 0.002 0.000 0.216 169 A C 2.409 179.972 177.584 -0.036 0.000 1.186 169 A CA 2.093 54.102 52.037 -0.046 0.000 0.620 169 A CB -1.285 17.731 19.000 0.027 0.000 0.822 169 A HN 0.408 8.558 8.150 -0.000 0.000 0.443 170 S N -1.923 113.787 115.700 0.015 0.000 2.382 170 S HA -0.142 4.329 4.470 0.002 0.000 0.228 170 S C 1.805 176.423 174.600 0.030 0.000 1.027 170 S CA 1.390 59.602 58.200 0.020 0.000 0.991 170 S CB -0.523 62.699 63.200 0.038 0.000 0.823 170 S HN 0.687 8.997 8.310 -0.000 0.000 0.469 171 Y N 2.112 122.375 120.300 -0.062 0.000 2.145 171 Y HA -0.108 4.444 4.550 0.003 0.000 0.286 171 Y C 2.235 178.098 175.900 -0.062 0.000 1.145 171 Y CA 1.561 59.632 58.100 -0.048 0.000 1.148 171 Y CB -0.304 38.145 38.460 -0.018 0.000 0.981 171 Y HN 0.149 8.429 8.280 -0.000 0.000 0.507 172 M N -0.048 119.549 119.600 -0.004 0.000 2.159 172 M HA -0.238 4.243 4.480 0.002 0.000 0.263 172 M C 1.663 178.032 176.300 0.114 0.000 1.063 172 M CA 1.519 56.830 55.300 0.018 0.000 1.110 172 M CB -0.658 31.805 32.600 -0.228 0.000 1.374 172 M HN 0.329 8.619 8.290 -0.000 0.000 0.411 173 N N 0.977 119.689 118.700 0.020 0.000 2.120 173 N HA -0.146 4.595 4.740 0.002 0.000 0.188 173 N C 1.220 176.720 175.510 -0.016 0.000 1.024 173 N CA 1.343 54.402 53.050 0.014 0.000 0.852 173 N CB -0.491 37.980 38.487 -0.027 0.000 1.003 173 N HN 0.304 8.684 8.380 -0.000 0.000 0.424 174 D N 0.389 120.737 120.400 -0.088 0.000 2.117 174 D HA 0.001 4.642 4.640 0.002 0.000 0.198 174 D C 1.717 177.905 176.300 -0.187 0.000 0.982 174 D CA 1.032 54.947 54.000 -0.142 0.000 0.828 174 D CB -0.294 40.388 40.800 -0.197 0.000 0.967 174 D HN 0.237 8.607 8.370 -0.000 0.000 0.464 175 A N -0.572 122.096 122.820 -0.254 0.000 2.014 175 A HA -0.044 4.277 4.320 0.002 0.000 0.218 175 A C 1.287 178.593 177.584 -0.463 0.000 1.163 175 A CA 0.710 52.530 52.037 -0.363 0.000 0.652 175 A CB -0.396 18.363 19.000 -0.402 0.000 0.808 175 A HN 0.176 8.326 8.150 -0.000 0.000 0.449 176 F N -0.660 119.221 119.950 -0.114 0.000 2.668 176 F HA 0.249 4.777 4.527 0.001 0.000 0.301 176 F C 0.547 176.297 175.800 -0.084 0.000 1.106 176 F CA -0.099 57.855 58.000 -0.077 0.000 1.289 176 F CB 0.025 39.002 39.000 -0.038 0.000 1.006 176 F HN 0.231 8.531 8.300 -0.000 0.000 0.535 177 Q N -0.514 119.282 119.800 -0.008 0.000 2.468 177 Q HA -0.193 4.148 4.340 0.002 0.000 0.289 177 Q C 1.139 177.125 176.000 -0.023 0.000 1.299 177 Q CA 0.315 56.100 55.803 -0.029 0.000 0.838 177 Q CB -1.853 26.863 28.738 -0.037 0.000 1.195 177 Q HN 0.324 8.594 8.270 -0.000 0.000 0.456 178 V N -0.255 119.650 119.914 -0.015 0.000 2.913 178 V HA -0.223 3.898 4.120 0.002 0.000 0.260 178 V C 2.184 178.242 176.094 -0.060 0.000 1.098 178 V CA 2.027 64.296 62.300 -0.052 0.000 1.121 178 V CB -0.200 31.586 31.823 -0.062 0.000 0.714 178 V HN 0.696 8.886 8.190 -0.000 0.000 0.487 179 S N -1.038 114.636 115.700 -0.044 0.000 2.469 179 S HA -0.049 4.422 4.470 0.002 0.000 0.238 179 S C 1.052 175.632 174.600 -0.034 0.000 0.998 179 S CA 0.923 59.099 58.200 -0.040 0.000 0.957 179 S CB -0.102 63.078 63.200 -0.033 0.000 0.764 179 S HN 0.481 8.791 8.310 -0.000 0.000 0.514 180 S N 0.920 116.603 115.700 -0.029 0.000 2.557 180 S HA 0.576 5.047 4.470 0.002 0.000 0.291 180 S C -2.582 172.013 174.600 -0.008 0.000 1.116 180 S CA -1.607 56.584 58.200 -0.014 0.000 0.992 180 S CB 1.715 64.914 63.200 -0.002 0.000 1.028 180 S HN -0.071 8.239 8.310 -0.000 0.000 0.484 181 P HA -0.046 4.374 4.420 -0.000 0.000 0.221 181 P C 0.535 177.894 177.300 0.099 0.000 1.145 181 P CA 1.017 64.152 63.100 0.057 0.000 0.795 181 P CB 0.144 31.884 31.700 0.065 0.000 0.775 182 E N -1.397 118.844 120.200 0.069 0.000 2.285 182 E HA -0.074 4.277 4.350 0.002 0.000 0.194 182 E C 1.504 178.145 176.600 0.068 0.000 0.997 182 E CA 1.521 57.967 56.400 0.077 0.000 0.845 182 E CB -0.335 29.397 29.700 0.053 0.000 0.782 182 E HN 0.400 8.760 8.360 -0.000 0.000 0.491 183 T N -2.942 111.635 114.554 0.039 0.000 2.971 183 T HA 0.039 4.390 4.350 0.002 0.000 0.252 183 T C 1.079 175.778 174.700 -0.002 0.000 1.022 183 T CA -0.196 61.919 62.100 0.024 0.000 0.980 183 T CB 0.290 69.160 68.868 0.004 0.000 1.044 183 T HN -0.104 8.136 8.240 -0.000 0.000 0.501 184 T N 2.128 116.652 114.554 -0.050 0.000 2.940 184 T HA 0.081 4.432 4.350 0.002 0.000 0.309 184 T C 0.657 175.192 174.700 -0.275 0.000 1.056 184 T CA -0.005 61.995 62.100 -0.166 0.000 1.137 184 T CB 0.527 69.235 68.868 -0.266 0.000 0.976 184 T HN 0.178 8.418 8.240 -0.000 0.000 0.547 185 Q N 2.635 122.344 119.800 -0.151 0.000 2.194 185 Q HA 0.113 4.454 4.340 0.002 0.000 0.214 185 Q C -0.930 175.026 176.000 -0.073 0.000 0.838 185 Q CA -0.012 55.776 55.803 -0.024 0.000 0.972 185 Q CB 0.583 29.428 28.738 0.178 0.000 1.131 185 Q HN 0.743 9.013 8.270 -0.000 0.000 0.498 186 Y N 0.629 120.639 120.300 -0.483 0.000 2.345 186 Y HA 0.395 4.946 4.550 0.002 0.000 0.331 186 Y C -1.526 174.013 175.900 -0.602 0.000 0.959 186 Y CA -2.409 55.393 58.100 -0.496 0.000 1.204 186 Y CB -0.003 38.178 38.460 -0.465 0.000 1.135 186 Y HN -0.182 8.098 8.280 -0.000 0.000 0.477 187 F N 5.934 125.909 119.950 0.040 0.000 2.308 187 F HA 0.464 4.992 4.527 0.001 0.000 0.370 187 F C 0.555 176.374 175.800 0.032 0.000 1.100 187 F CA -0.637 57.356 58.000 -0.011 0.000 1.108 187 F CB 0.972 39.784 39.000 -0.312 0.000 1.293 187 F HN 0.348 8.648 8.300 -0.000 0.000 0.478 188 R N 3.529 124.096 120.500 0.111 0.000 2.287 188 R HA 0.523 4.864 4.340 0.002 0.000 0.327 188 R C -1.338 175.027 176.300 0.108 0.000 1.109 188 R CA -0.279 55.810 56.100 -0.019 0.000 1.013 188 R CB 0.386 30.492 30.300 -0.323 0.000 1.126 188 R HN 0.482 8.752 8.270 -0.000 0.000 0.503 189 V N 4.205 124.157 119.914 0.064 0.000 2.465 189 V HA 0.332 4.453 4.120 0.002 0.000 0.279 189 V C 0.541 176.862 176.094 0.377 0.000 1.045 189 V CA -0.409 62.053 62.300 0.271 0.000 0.938 189 V CB 1.402 33.366 31.823 0.235 0.000 0.986 189 V HN 0.886 9.076 8.190 -0.000 0.000 0.467 190 T N 0.658 115.521 114.554 0.515 0.000 2.907 190 T HA 0.573 4.925 4.350 0.002 0.000 0.290 190 T C -0.863 174.198 174.700 0.601 0.000 1.066 190 T CA -0.699 61.756 62.100 0.590 0.000 1.012 190 T CB 2.021 71.110 68.868 0.368 0.000 1.184 190 T HN 0.816 9.056 8.240 -0.000 0.000 0.522 191 H N 0.155 119.382 119.070 0.261 0.000 3.018 191 H HA 0.447 5.004 4.556 0.002 0.000 0.334 191 H C 0.131 175.521 175.328 0.103 0.000 0.983 191 H CA -0.298 55.682 56.048 -0.114 0.000 1.363 191 H CB 1.368 30.612 29.762 -0.864 0.000 1.668 191 H HN 0.925 9.205 8.280 -0.000 0.000 0.513 192 S N 3.196 118.873 115.700 -0.038 0.000 4.110 192 S HA -0.356 4.115 4.470 0.002 0.000 0.573 192 S C 0.898 175.641 174.600 0.238 0.000 1.936 192 S CA 1.761 59.929 58.200 -0.054 0.000 4.227 192 S CB -1.058 61.819 63.200 -0.539 0.000 0.327 192 S HN 0.987 9.297 8.310 -0.000 0.000 0.532 193 N N 2.380 121.099 118.700 0.032 0.000 2.453 193 N HA 0.210 4.951 4.740 0.002 0.000 0.270 193 N C -0.799 174.745 175.510 0.057 0.000 1.195 193 N CA -0.015 53.075 53.050 0.065 0.000 0.902 193 N CB -0.362 38.147 38.487 0.037 0.000 1.186 193 N HN 0.547 8.927 8.380 -0.000 0.000 0.510 194 D N 0.466 120.921 120.400 0.092 0.000 2.586 194 D HA -0.013 4.628 4.640 0.002 0.000 0.234 194 D C 1.231 177.602 176.300 0.118 0.000 1.132 194 D CA 0.505 54.609 54.000 0.175 0.000 0.860 194 D CB 0.757 41.757 40.800 0.333 0.000 1.159 194 D HN 0.458 8.828 8.370 -0.000 0.000 0.490 195 G N 3.906 112.753 108.800 0.077 0.000 2.623 195 G HA2 -0.113 3.848 3.960 0.002 0.000 0.214 195 G HA3 -0.113 3.848 3.960 0.002 0.000 0.214 195 G C 1.583 176.474 174.900 -0.015 0.000 1.138 195 G CA -0.062 45.053 45.100 0.024 0.000 0.794 195 G HN 0.559 8.849 8.290 -0.000 0.000 0.535 196 I N 1.690 122.211 120.570 -0.082 0.000 2.315 196 I HA -0.029 4.142 4.170 0.002 0.000 0.248 196 I C -0.508 175.612 176.117 0.004 0.000 1.117 196 I CA 0.462 61.678 61.300 -0.139 0.000 1.404 196 I CB -1.754 35.967 38.000 -0.464 0.000 1.071 196 I HN 0.051 8.261 8.210 -0.000 0.000 0.419 197 P HA -0.070 4.350 4.420 -0.000 0.000 0.231 197 P C 0.840 178.259 177.300 0.199 0.000 1.158 197 P CA 1.043 64.268 63.100 0.209 0.000 0.763 197 P CB -0.132 31.651 31.700 0.137 0.000 0.805 198 N N -0.917 117.819 118.700 0.060 0.000 2.322 198 N HA 0.116 4.857 4.740 0.002 0.000 0.194 198 N C 0.174 175.650 175.510 -0.057 0.000 1.126 198 N CA 0.405 53.460 53.050 0.008 0.000 0.845 198 N CB 0.428 38.915 38.487 -0.000 0.000 0.976 198 N HN 0.254 8.634 8.380 -0.000 0.000 0.475 199 L N 0.597 121.762 121.223 -0.097 0.000 2.388 199 L HA 0.496 4.837 4.340 0.002 0.000 0.264 199 L C -2.504 174.136 176.870 -0.383 0.000 0.998 199 L CA -2.072 52.645 54.840 -0.204 0.000 0.817 199 L CB 2.733 44.739 42.059 -0.089 0.000 1.338 199 L HN -0.291 7.939 8.230 -0.000 0.000 0.414 200 P HA 0.127 4.547 4.420 -0.000 0.000 0.271 200 P C -2.564 174.481 177.300 -0.425 0.000 1.233 200 P CA -1.103 61.449 63.100 -0.914 0.000 0.789 200 P CB -0.250 30.431 31.700 -1.699 0.000 0.951 201 P HA -0.075 4.345 4.420 -0.000 0.000 0.264 201 P C 0.533 177.812 177.300 -0.036 0.000 1.183 201 P CA 0.620 63.675 63.100 -0.075 0.000 0.763 201 P CB 0.168 31.863 31.700 -0.009 0.000 0.807 202 A N 4.750 127.558 122.820 -0.019 0.000 1.940 202 A HA -0.217 4.104 4.320 0.002 0.000 0.219 202 A C 1.725 179.337 177.584 0.047 0.000 1.176 202 A CA 1.572 53.620 52.037 0.018 0.000 0.631 202 A CB -0.932 18.064 19.000 -0.006 0.000 0.814 202 A HN 0.669 8.819 8.150 -0.000 0.000 0.446 203 E N 0.292 120.510 120.200 0.031 0.000 2.472 203 E HA -0.193 4.158 4.350 0.002 0.000 0.200 203 E C 1.085 177.715 176.600 0.051 0.000 1.046 203 E CA 0.959 57.377 56.400 0.030 0.000 0.871 203 E CB -0.472 29.239 29.700 0.019 0.000 0.806 203 E HN 0.797 9.157 8.360 -0.000 0.000 0.533 204 Q N 0.244 120.101 119.800 0.095 0.000 2.322 204 Q HA 0.171 4.512 4.340 0.002 0.000 0.203 204 Q C 0.354 176.435 176.000 0.134 0.000 0.923 204 Q CA 0.360 56.245 55.803 0.137 0.000 0.949 204 Q CB 0.413 29.268 28.738 0.194 0.000 1.039 204 Q HN 0.535 8.805 8.270 -0.000 0.000 0.496 205 G N 0.174 109.013 108.800 0.066 0.000 2.140 205 G HA2 -0.256 3.706 3.960 0.002 0.000 0.211 205 G HA3 -0.256 3.706 3.960 0.002 0.000 0.211 205 G C -0.681 174.098 174.900 -0.201 0.000 1.013 205 G CA -0.508 44.551 45.100 -0.068 0.000 0.705 205 G HN 0.260 8.550 8.290 -0.000 0.000 0.508 206 Y N 0.059 120.314 120.300 -0.075 0.000 2.487 206 Y HA 0.761 5.312 4.550 0.002 0.000 0.337 206 Y C 0.535 176.371 175.900 -0.105 0.000 1.076 206 Y CA 0.088 58.129 58.100 -0.098 0.000 1.115 206 Y CB 2.267 40.636 38.460 -0.151 0.000 1.235 206 Y HN 0.661 8.941 8.280 -0.000 0.000 0.468 207 A N 1.311 124.150 122.820 0.031 0.000 2.594 207 A HA 0.680 5.002 4.320 0.002 0.000 0.291 207 A C -1.761 175.804 177.584 -0.031 0.000 1.105 207 A CA -0.759 51.270 52.037 -0.014 0.000 0.694 207 A CB 1.374 20.383 19.000 0.014 0.000 1.291 207 A HN 0.766 8.916 8.150 -0.000 0.000 0.410 208 H N -0.318 118.771 119.070 0.032 0.000 2.499 208 H HA 0.624 5.181 4.556 0.002 0.000 0.340 208 H C 0.549 175.852 175.328 -0.042 0.000 1.148 208 H CA 0.381 56.434 56.048 0.008 0.000 1.215 208 H CB 1.937 31.674 29.762 -0.042 0.000 1.529 208 H HN 0.963 9.243 8.280 -0.000 0.000 0.510 209 G N -0.271 108.579 108.800 0.084 0.000 2.795 209 G HA2 0.538 4.499 3.960 0.002 0.000 0.267 209 G HA3 0.538 4.499 3.960 0.002 0.000 0.267 209 G C -0.083 174.565 174.900 -0.419 0.000 1.362 209 G CA -0.274 44.782 45.100 -0.073 0.000 1.048 209 G HN 0.860 9.150 8.290 -0.000 0.000 0.547 210 G N -2.706 105.731 108.800 -0.606 0.000 2.756 210 G HA2 0.165 4.126 3.960 0.002 0.000 0.678 210 G HA3 0.165 4.126 3.960 0.002 0.000 0.678 210 G C -0.649 173.934 174.900 -0.528 0.000 1.349 210 G CA -0.280 44.178 45.100 -1.070 0.000 0.847 210 G HN 1.355 9.645 8.290 -0.000 0.000 0.548 211 V N 0.994 120.651 119.914 -0.429 0.000 2.407 211 V HA 0.478 4.599 4.120 0.002 0.000 0.278 211 V C 0.830 176.746 176.094 -0.295 0.000 1.037 211 V CA 0.059 62.175 62.300 -0.306 0.000 0.900 211 V CB 1.503 33.184 31.823 -0.237 0.000 0.983 211 V HN 0.861 9.051 8.190 -0.000 0.000 0.459 212 E N 3.873 123.890 120.200 -0.306 0.000 2.289 212 E HA 0.243 4.594 4.350 0.002 0.000 0.278 212 E C -1.634 174.819 176.600 -0.245 0.000 1.032 212 E CA -0.420 55.871 56.400 -0.182 0.000 0.854 212 E CB 0.626 30.228 29.700 -0.163 0.000 1.046 212 E HN 0.621 8.981 8.360 -0.000 0.000 0.409 213 Y N 4.219 124.632 120.300 0.189 0.000 2.402 213 Y HA 0.218 4.768 4.550 0.001 0.000 0.332 213 Y C -0.799 175.358 175.900 0.429 0.000 0.960 213 Y CA -0.804 57.488 58.100 0.321 0.000 1.228 213 Y CB 0.665 39.334 38.460 0.349 0.000 1.120 213 Y HN 0.537 8.817 8.280 -0.000 0.000 0.491 214 W N 4.838 126.315 121.300 0.295 0.000 2.283 214 W HA 0.481 5.142 4.660 0.001 0.000 0.317 214 W C -0.278 176.441 176.519 0.332 0.000 1.042 214 W CA -1.397 56.094 57.345 0.243 0.000 1.348 214 W CB 1.343 30.872 29.460 0.115 0.000 1.216 214 W HN 0.338 8.518 8.180 -0.000 0.000 0.404 215 S N 5.589 121.421 115.700 0.220 0.000 2.430 215 S HA 0.418 4.889 4.470 0.002 0.000 0.282 215 S C -0.572 173.905 174.600 -0.205 0.000 1.186 215 S CA -0.388 57.861 58.200 0.082 0.000 1.060 215 S CB -0.082 63.107 63.200 -0.018 0.000 0.966 215 S HN 0.268 8.578 8.310 -0.000 0.000 0.501 216 V N 5.365 125.113 119.914 -0.277 0.000 2.539 216 V HA 0.325 4.446 4.120 0.002 0.000 0.292 216 V C 0.066 176.132 176.094 -0.048 0.000 1.045 216 V CA -0.903 61.172 62.300 -0.376 0.000 0.945 216 V CB 1.668 33.157 31.823 -0.557 0.000 0.993 216 V HN 0.776 8.966 8.190 -0.000 0.000 0.464 217 D N 4.894 125.274 120.400 -0.033 0.000 2.345 217 D HA 0.323 4.964 4.640 0.002 0.000 0.247 217 D C -2.083 174.212 176.300 -0.007 0.000 1.108 217 D CA -0.822 53.208 54.000 0.051 0.000 0.894 217 D CB 0.989 41.826 40.800 0.062 0.000 1.203 217 D HN 0.385 8.755 8.370 -0.000 0.000 0.430 218 P HA 0.120 4.540 4.420 -0.000 0.000 0.281 218 P C -0.603 176.649 177.300 -0.081 0.000 1.252 218 P CA -0.497 62.559 63.100 -0.073 0.000 0.778 218 P CB 0.068 31.685 31.700 -0.139 0.000 0.895 219 Y N 0.991 121.333 120.300 0.069 0.000 2.597 219 Y HA 0.444 4.994 4.550 0.001 0.000 0.336 219 Y C 0.466 176.448 175.900 0.136 0.000 1.216 219 Y CA -0.513 57.672 58.100 0.141 0.000 1.463 219 Y CB 0.108 38.687 38.460 0.199 0.000 1.303 219 Y HN 0.599 8.879 8.280 -0.000 0.000 0.576 220 S N 1.078 116.908 115.700 0.215 0.000 2.643 220 S HA 0.625 5.096 4.470 0.002 0.000 0.266 220 S C 0.305 174.654 174.600 -0.417 0.000 1.130 220 S CA -0.701 57.365 58.200 -0.224 0.000 0.817 220 S CB 0.781 63.850 63.200 -0.218 0.000 1.107 220 S HN 1.264 9.574 8.310 -0.000 0.000 0.471 221 A N 0.773 123.072 122.820 -0.869 0.000 1.883 221 A HA -0.080 4.241 4.320 0.002 0.000 0.217 221 A C 2.058 179.554 177.584 -0.147 0.000 1.186 221 A CA 2.006 53.788 52.037 -0.424 0.000 0.624 221 A CB -1.296 17.495 19.000 -0.348 0.000 0.822 221 A HN 0.827 8.977 8.150 -0.000 0.000 0.444 222 Q N -0.662 119.035 119.800 -0.171 0.000 2.226 222 Q HA -0.099 4.242 4.340 0.002 0.000 0.204 222 Q C 0.624 176.526 176.000 -0.162 0.000 0.975 222 Q CA 1.160 56.876 55.803 -0.145 0.000 0.866 222 Q CB -0.066 28.596 28.738 -0.127 0.000 0.915 222 Q HN 0.547 8.817 8.270 -0.000 0.000 0.440 223 N N 0.019 118.675 118.700 -0.072 0.000 2.276 223 N HA 0.041 4.782 4.740 0.002 0.000 0.212 223 N C -0.940 174.665 175.510 0.158 0.000 1.127 223 N CA 0.290 53.357 53.050 0.030 0.000 0.834 223 N CB 0.926 39.452 38.487 0.064 0.000 1.014 223 N HN -0.029 8.351 8.380 -0.000 0.000 0.491 224 T N 0.936 115.572 114.554 0.136 0.000 2.756 224 T HA 0.386 4.737 4.350 0.002 0.000 0.290 224 T C -0.202 174.648 174.700 0.251 0.000 0.985 224 T CA -0.352 61.944 62.100 0.326 0.000 0.955 224 T CB 0.444 69.591 68.868 0.464 0.000 0.930 224 T HN -0.103 8.137 8.240 -0.000 0.000 0.451 225 F N 1.912 121.987 119.950 0.207 0.000 2.397 225 F HA 0.501 5.030 4.527 0.002 0.000 0.331 225 F C 0.339 176.227 175.800 0.148 0.000 1.090 225 F CA -1.039 57.079 58.000 0.196 0.000 1.065 225 F CB 1.137 40.303 39.000 0.276 0.000 1.184 225 F HN 0.170 8.470 8.300 -0.000 0.000 0.499 226 V N 2.644 122.667 119.914 0.182 0.000 2.350 226 V HA 0.282 4.403 4.120 0.002 0.000 0.276 226 V C -0.683 175.393 176.094 -0.030 0.000 1.028 226 V CA -0.679 61.564 62.300 -0.096 0.000 0.860 226 V CB 0.852 32.623 31.823 -0.087 0.000 0.990 226 V HN 0.805 8.995 8.190 -0.000 0.000 0.453 227 c N 4.399 122.932 118.600 -0.113 0.000 2.301 227 c HA 0.723 5.294 4.570 0.002 0.000 0.323 227 c C 0.743 174.750 174.090 -0.137 0.000 1.265 227 c CA -0.692 55.596 56.329 -0.069 0.000 1.503 227 c CB 0.730 43.207 42.510 -0.054 0.000 2.195 227 c HN 0.951 9.181 8.230 -0.000 0.000 0.477 228 T N 0.391 114.886 114.554 -0.099 0.000 2.940 228 T HA 0.868 5.219 4.350 0.002 0.000 0.288 228 T C 0.436 175.086 174.700 -0.083 0.000 1.033 228 T CA 0.520 62.559 62.100 -0.102 0.000 1.033 228 T CB 1.558 70.381 68.868 -0.075 0.000 1.079 228 T HN 1.938 10.178 8.240 -0.000 0.000 0.496 229 G N 1.002 109.752 108.800 -0.082 0.000 2.645 229 G HA2 -0.146 3.815 3.960 0.002 0.000 0.239 229 G HA3 -0.146 3.815 3.960 0.002 0.000 0.239 229 G C -0.369 174.492 174.900 -0.064 0.000 1.331 229 G CA 0.202 45.264 45.100 -0.063 0.000 0.890 229 G HN 0.836 9.126 8.290 -0.000 0.000 0.572 230 D N 0.725 121.096 120.400 -0.048 0.000 2.562 230 D HA 0.099 4.740 4.640 0.002 0.000 0.246 230 D C 1.000 177.279 176.300 -0.035 0.000 1.347 230 D CA 0.374 54.352 54.000 -0.038 0.000 0.800 230 D CB 0.400 41.186 40.800 -0.023 0.000 1.111 230 D HN 0.704 9.074 8.370 -0.000 0.000 0.508 231 E N 0.972 121.147 120.200 -0.042 0.000 2.438 231 E HA -0.003 4.348 4.350 0.002 0.000 0.261 231 E C 0.213 176.776 176.600 -0.061 0.000 1.103 231 E CA -0.064 56.309 56.400 -0.045 0.000 0.959 231 E CB 1.268 30.942 29.700 -0.043 0.000 0.958 231 E HN -0.251 8.109 8.360 -0.000 0.000 0.447 232 V N 3.071 122.948 119.914 -0.061 0.000 2.450 232 V HA 0.036 4.157 4.120 0.002 0.000 0.281 232 V C 0.606 176.629 176.094 -0.118 0.000 1.019 232 V CA 0.620 62.871 62.300 -0.082 0.000 1.062 232 V CB -0.763 31.020 31.823 -0.066 0.000 0.979 232 V HN 0.752 8.942 8.190 -0.000 0.000 0.477 233 Q N 3.486 123.177 119.800 -0.180 0.000 2.687 233 Q HA 0.472 4.813 4.340 0.002 0.000 0.295 233 Q C -0.047 175.675 176.000 -0.463 0.000 0.920 233 Q CA -0.522 55.130 55.803 -0.251 0.000 0.766 233 Q CB 1.285 29.915 28.738 -0.181 0.000 1.467 233 Q HN 0.535 8.805 8.270 -0.000 0.000 0.415 234 c N -0.973 117.196 118.600 -0.718 0.000 0.168 234 c HA -0.376 4.195 4.570 0.002 0.000 0.017 234 c C 2.377 175.411 174.090 -1.760 0.000 0.171 234 c CA 0.923 56.291 56.329 -1.602 0.000 0.499 234 c CB -1.939 39.998 42.510 -0.955 0.000 3.212 234 c HN 1.180 9.410 8.230 -0.000 0.000 1.118 235 C N 1.579 119.944 119.300 -1.558 0.000 2.429 235 C HA -0.074 4.387 4.460 0.002 0.000 0.277 235 C C 2.384 177.160 174.990 -0.358 0.000 1.262 235 C CA 2.400 60.983 59.018 -0.725 0.000 1.733 235 C CB -1.868 25.708 27.740 -0.273 0.000 2.010 235 C HN 0.820 9.050 8.230 -0.000 0.000 0.483 236 E N 0.848 120.859 120.200 -0.315 0.000 2.347 236 E HA 0.069 4.420 4.350 0.002 0.000 0.196 236 E C 2.057 178.561 176.600 -0.160 0.000 1.008 236 E CA 1.103 57.409 56.400 -0.158 0.000 0.852 236 E CB -0.278 29.364 29.700 -0.096 0.000 0.783 236 E HN 0.744 9.104 8.360 -0.000 0.000 0.505 237 A N 0.403 123.077 122.820 -0.243 0.000 2.238 237 A HA -0.044 4.277 4.320 0.002 0.000 0.208 237 A C 1.447 178.953 177.584 -0.129 0.000 1.177 237 A CA 0.432 52.361 52.037 -0.181 0.000 0.804 237 A CB 0.096 18.964 19.000 -0.219 0.000 0.823 237 A HN 0.011 8.161 8.150 -0.000 0.000 0.482 238 Q N -1.256 118.473 119.800 -0.119 0.000 2.384 238 Q HA 0.153 4.494 4.340 0.002 0.000 0.207 238 Q C 1.166 177.154 176.000 -0.019 0.000 0.904 238 Q CA 0.679 56.458 55.803 -0.040 0.000 0.933 238 Q CB -0.047 28.701 28.738 0.017 0.000 1.077 238 Q HN 0.899 9.169 8.270 -0.000 0.000 0.522 239 G N 1.195 109.978 108.800 -0.029 0.000 2.221 239 G HA2 -0.241 3.720 3.960 0.002 0.000 0.265 239 G HA3 -0.241 3.720 3.960 0.002 0.000 0.265 239 G C 0.508 175.409 174.900 0.000 0.000 1.041 239 G CA 0.119 45.210 45.100 -0.015 0.000 0.807 239 G HN 0.522 8.812 8.290 -0.000 0.000 0.502 240 G N -1.207 107.598 108.800 0.008 0.000 2.594 240 G HA2 0.474 4.435 3.960 0.002 0.000 0.243 240 G HA3 0.474 4.435 3.960 0.002 0.000 0.243 240 G C 0.003 174.914 174.900 0.018 0.000 1.229 240 G CA -0.181 44.931 45.100 0.020 0.000 0.843 240 G HN 0.398 8.688 8.290 -0.000 0.000 0.578 241 Q N 0.677 120.491 119.800 0.023 0.000 2.363 241 Q HA 0.464 4.805 4.340 0.002 0.000 0.265 241 Q C 0.681 176.696 176.000 0.025 0.000 1.032 241 Q CA 0.224 56.040 55.803 0.021 0.000 0.746 241 Q CB 1.502 30.253 28.738 0.021 0.000 1.237 241 Q HN 1.207 9.477 8.270 -0.000 0.000 0.475 242 G N 1.294 110.103 108.800 0.014 0.000 2.578 242 G HA2 -0.299 3.662 3.960 0.002 0.000 0.275 242 G HA3 -0.299 3.662 3.960 0.002 0.000 0.275 242 G C -0.229 174.669 174.900 -0.004 0.000 1.271 242 G CA -0.392 44.712 45.100 0.007 0.000 0.941 242 G HN 0.457 8.747 8.290 -0.000 0.000 0.564 243 V N 2.980 122.907 119.914 0.022 0.000 2.403 243 V HA 0.409 4.530 4.120 0.002 0.000 0.265 243 V C 0.571 176.744 176.094 0.131 0.000 1.034 243 V CA 0.531 62.887 62.300 0.094 0.000 1.036 243 V CB -0.167 31.749 31.823 0.155 0.000 1.032 243 V HN 1.052 9.242 8.190 -0.000 0.000 0.478 244 N N 2.722 121.524 118.700 0.170 0.000 2.701 244 N HA 0.275 5.017 4.740 0.002 0.000 0.290 244 N C 0.576 176.184 175.510 0.165 0.000 1.338 244 N CA -0.971 52.161 53.050 0.135 0.000 0.799 244 N CB 0.808 39.350 38.487 0.092 0.000 1.491 244 N HN 0.197 8.577 8.380 -0.000 0.000 0.540 245 D N -0.210 120.256 120.400 0.110 0.000 2.149 245 D HA -0.082 4.559 4.640 0.002 0.000 0.198 245 D C 1.656 178.030 176.300 0.124 0.000 0.990 245 D CA 1.897 55.958 54.000 0.102 0.000 0.839 245 D CB -0.328 40.512 40.800 0.067 0.000 0.948 245 D HN 0.653 9.023 8.370 -0.000 0.000 0.460 246 A N -0.717 122.154 122.820 0.086 0.000 1.972 246 A HA -0.211 4.110 4.320 0.002 0.000 0.219 246 A C 2.097 179.830 177.584 0.249 0.000 1.169 246 A CA 1.960 54.012 52.037 0.026 0.000 0.635 246 A CB -0.931 17.962 19.000 -0.178 0.000 0.810 246 A HN 0.448 8.598 8.150 -0.000 0.000 0.446 247 H N 0.633 119.830 119.070 0.212 0.000 2.389 247 H HA -0.090 4.467 4.556 0.002 0.000 0.299 247 H C 2.218 177.861 175.328 0.525 0.000 1.081 247 H CA 2.378 58.654 56.048 0.380 0.000 1.345 247 H CB -0.253 29.671 29.762 0.269 0.000 1.393 247 H HN 0.505 8.785 8.280 -0.000 0.000 0.520 248 T N -3.322 111.350 114.554 0.197 0.000 3.088 248 T HA 0.070 4.421 4.350 0.002 0.000 0.259 248 T C 0.426 175.118 174.700 -0.013 0.000 1.122 248 T CA 0.534 62.660 62.100 0.044 0.000 1.095 248 T CB -0.141 68.756 68.868 0.048 0.000 0.930 248 T HN 0.188 8.428 8.240 -0.000 0.000 0.508 249 T N 1.993 116.575 114.554 0.047 0.000 2.892 249 T HA 0.479 4.830 4.350 0.002 0.000 0.311 249 T C -1.726 172.778 174.700 -0.327 0.000 1.033 249 T CA -0.500 61.554 62.100 -0.078 0.000 0.991 249 T CB 0.501 69.348 68.868 -0.035 0.000 0.981 249 T HN 0.199 8.439 8.240 -0.000 0.000 0.457 250 Y N 1.817 121.856 120.300 -0.436 0.000 2.335 250 Y HA 0.447 4.997 4.550 0.001 0.000 0.338 250 Y C 0.281 175.759 175.900 -0.703 0.000 0.977 250 Y CA -1.654 56.048 58.100 -0.663 0.000 1.114 250 Y CB 0.658 38.859 38.460 -0.432 0.000 1.182 250 Y HN 0.666 8.946 8.280 -0.000 0.000 0.463 251 F N 1.706 121.206 119.950 -0.750 0.000 3.048 251 F HA -0.241 4.287 4.527 0.002 0.000 0.269 251 F C 1.415 176.524 175.800 -1.152 0.000 0.960 251 F CA 1.047 58.358 58.000 -1.148 0.000 0.909 251 F CB -1.667 36.976 39.000 -0.595 0.000 0.837 251 F HN 0.851 9.151 8.300 -0.000 0.000 0.768 252 G N -0.874 107.392 108.800 -0.889 0.000 2.168 252 G HA2 -0.338 3.624 3.960 0.002 0.000 0.263 252 G HA3 -0.338 3.624 3.960 0.002 0.000 0.263 252 G C 0.198 175.056 174.900 -0.071 0.000 0.977 252 G CA 0.292 45.243 45.100 -0.248 0.000 0.659 252 G HN 0.492 8.782 8.290 -0.000 0.000 0.533 253 M N 1.643 121.166 119.600 -0.129 0.000 2.114 253 M HA 0.372 4.853 4.480 0.002 0.000 0.332 253 M C -0.073 176.213 176.300 -0.023 0.000 1.014 253 M CA -0.314 54.994 55.300 0.012 0.000 0.956 253 M CB 1.749 34.232 32.600 -0.193 0.000 1.551 253 M HN 0.031 8.321 8.290 -0.000 0.000 0.427 254 T N 1.620 116.229 114.554 0.091 0.000 2.889 254 T HA 0.202 4.553 4.350 0.002 0.000 0.291 254 T C 0.351 175.044 174.700 -0.011 0.000 0.995 254 T CA -0.400 61.697 62.100 -0.005 0.000 1.092 254 T CB 0.773 69.643 68.868 0.003 0.000 0.954 254 T HN 0.635 8.875 8.240 -0.000 0.000 0.506 255 S N 2.405 117.942 115.700 -0.271 0.000 2.737 255 S HA 0.273 4.744 4.470 0.002 0.000 0.315 255 S C 1.646 176.112 174.600 -0.223 0.000 1.236 255 S CA 0.538 58.434 58.200 -0.507 0.000 1.093 255 S CB -0.378 62.120 63.200 -1.169 0.000 0.832 255 S HN 1.189 9.499 8.310 -0.000 0.000 0.507 256 G N 2.442 111.303 108.800 0.102 0.000 2.168 256 G HA2 -0.315 3.646 3.960 0.002 0.000 0.263 256 G HA3 -0.315 3.646 3.960 0.002 0.000 0.263 256 G C 0.849 175.762 174.900 0.022 0.000 0.977 256 G CA 0.366 45.559 45.100 0.155 0.000 0.659 256 G HN 1.077 9.367 8.290 -0.000 0.000 0.533 257 A N -0.879 121.936 122.820 -0.008 0.000 2.067 257 A HA 0.337 4.659 4.320 0.002 0.000 0.217 257 A C 2.151 179.463 177.584 -0.453 0.000 1.156 257 A CA 1.757 53.697 52.037 -0.161 0.000 0.683 257 A CB -0.487 18.470 19.000 -0.072 0.000 0.808 257 A HN 1.731 9.881 8.150 -0.000 0.000 0.455 258 c N -0.218 117.771 118.600 -1.017 0.000 4.365 258 c HA -0.149 4.422 4.570 0.002 0.000 0.299 258 c C 1.766 175.189 174.090 -1.112 0.000 1.409 258 c CA 1.071 56.565 56.329 -1.391 0.000 2.007 258 c CB -3.233 38.904 42.510 -0.622 0.000 1.264 258 c HN 0.828 9.058 8.230 -0.000 0.000 0.777 259 T N -3.614 110.357 114.554 -0.971 0.000 3.081 259 T HA 0.191 4.543 4.350 0.002 0.000 0.250 259 T C 0.352 174.931 174.700 -0.202 0.000 1.100 259 T CA 0.532 62.401 62.100 -0.385 0.000 1.038 259 T CB 0.062 68.851 68.868 -0.132 0.000 0.962 259 T HN 0.845 9.085 8.240 -0.000 0.000 0.516 260 W N 0.682 121.950 121.300 -0.052 0.000 2.253 260 W HA 0.764 5.425 4.660 0.002 0.000 0.348 260 W C -0.253 176.234 176.519 -0.054 0.000 1.229 260 W CA -0.870 56.442 57.345 -0.055 0.000 1.335 260 W CB 0.248 29.663 29.460 -0.076 0.000 1.165 260 W HN 0.197 8.377 8.180 -0.000 0.000 0.631 261 V N 0.000 120.001 119.914 0.145 0.000 2.409 261 V HA 0.000 4.121 4.120 0.002 0.000 0.244 261 V CA 0.000 62.300 62.300 -0.000 0.000 1.235 261 V CB 0.000 31.823 31.823 -0.000 0.000 1.184 261 V HN 0.000 8.190 8.190 -0.000 0.000 0.556