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 3p3c_1_A DATA FIRST_RESID 2 DATA SEQUENCE GLEKTVKEKL SFEGVGIHTG EYSKLIIHPE KEGTGIRFFK NGVYIPARHE DATA SEQUENCE FVVHTNHSTD LGFKGQRIKT VEHILSVLHL LEITNVTIEV IGNEIPILDG DATA SEQUENCE SGWEFYEAIR KNILNQNREI DYFVVEEPII VEDEGRLIKA EPSDTLEVTY DATA SEQUENCE EGEFKNFLGR QKFTFVEGNE EEIVLARTFA FDWEIEHIKK VGLGKGGSLK DATA SEQUENCE NTLVLGKDKV YNPEGLRYEN EPVRHKVFDL IGDLYLLGSP VKGKFYSFRG DATA SEQUENCE GHSLNVKLVK ELAKKQKLTR DL 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 G HA2 0.000 nan 3.960 nan 0.000 0.244 2 G HA3 0.000 4.066 3.960 0.176 0.000 0.244 2 G C 0.000 174.954 174.900 0.091 0.000 0.946 2 G CA 0.000 45.202 45.100 0.170 0.000 0.502 3 L N -0.658 120.600 121.223 0.058 0.000 2.417 3 L HA 0.030 4.504 4.340 0.017 -0.124 0.268 3 L C 0.433 177.305 176.870 0.003 0.000 1.158 3 L CA -0.165 54.690 54.840 0.024 0.000 0.819 3 L CB 0.825 42.899 42.059 0.024 0.000 1.112 3 L HN 0.244 8.511 8.230 0.063 0.000 0.458 4 E N 1.729 121.919 120.200 -0.018 0.000 2.437 4 E HA -0.249 4.083 4.350 -0.031 0.000 0.263 4 E C -0.981 175.618 176.600 -0.002 0.000 1.030 4 E CA 1.975 58.362 56.400 -0.021 0.000 0.934 4 E CB 0.539 30.222 29.700 -0.028 0.000 0.943 4 E HN 0.100 8.447 8.360 -0.020 0.000 0.444 5 K N 0.386 120.789 120.400 0.005 0.000 2.469 5 K HA 0.877 5.356 4.320 0.007 -0.155 0.254 5 K C -0.892 175.712 176.600 0.008 0.000 0.939 5 K CA -1.094 55.200 56.287 0.011 0.000 0.812 5 K CB 4.551 37.065 32.500 0.023 0.000 1.301 5 K HN -0.147 8.106 8.250 0.006 0.000 0.433 6 T N 0.486 115.042 114.554 0.003 0.000 2.676 6 T HA 0.552 5.012 4.350 0.000 -0.111 0.269 6 T C -1.358 173.343 174.700 0.002 0.000 0.952 6 T CA -3.188 58.912 62.100 -0.000 0.000 1.040 6 T CB 2.457 71.321 68.868 -0.007 0.000 1.352 6 T HN 0.334 8.575 8.240 0.002 0.000 0.554 7 V N -4.574 115.340 119.914 0.001 0.000 2.612 7 V HA 0.759 5.218 4.120 -0.001 -0.340 0.301 7 V C -0.511 175.580 176.094 -0.005 0.000 1.046 7 V CA -2.484 59.815 62.300 -0.001 0.000 0.946 7 V CB 2.054 33.879 31.823 0.002 0.000 1.003 7 V HN 0.221 8.412 8.190 0.000 0.000 0.459 8 K N 1.977 122.372 120.400 -0.009 0.000 2.057 8 K HA -0.181 4.134 4.320 -0.008 0.000 0.206 8 K C 0.074 176.666 176.600 -0.014 0.000 1.050 8 K CA 2.242 58.523 56.287 -0.011 0.000 0.935 8 K CB 0.270 32.762 32.500 -0.013 0.000 0.715 8 K HN 0.152 8.396 8.250 -0.010 0.000 0.439 9 E N -3.128 117.058 120.200 -0.022 0.000 2.369 9 E HA 0.191 4.525 4.350 -0.026 0.000 0.270 9 E C -1.928 174.642 176.600 -0.051 0.000 0.909 9 E CA -1.810 54.571 56.400 -0.032 0.000 0.775 9 E CB 2.654 32.331 29.700 -0.039 0.000 1.270 9 E HN -0.829 7.684 8.360 -0.023 -0.167 0.445 10 K N 0.044 120.399 120.400 -0.074 0.000 2.489 10 K HA -0.064 4.400 4.320 -0.165 -0.243 0.278 10 K C -0.100 176.419 176.600 -0.135 0.000 1.000 10 K CA 0.717 56.920 56.287 -0.141 0.000 1.012 10 K CB 0.381 32.772 32.500 -0.182 0.000 0.903 10 K HN 0.182 8.396 8.250 -0.060 0.000 0.485 11 L N 4.449 125.586 121.223 -0.144 0.000 2.365 11 L HA 0.379 4.590 4.340 -0.215 0.000 0.273 11 L C -1.588 175.142 176.870 -0.234 0.000 1.000 11 L CA -1.013 53.717 54.840 -0.183 0.000 0.819 11 L CB 3.273 45.281 42.059 -0.084 0.000 1.284 11 L HN -0.267 7.878 8.230 -0.142 0.000 0.418 12 S N 1.672 117.136 115.700 -0.392 0.000 2.532 12 S HA 0.804 5.389 4.470 -0.111 -0.182 0.301 12 S C -0.992 173.259 174.600 -0.581 0.000 1.083 12 S CA -1.157 56.870 58.200 -0.288 0.000 1.025 12 S CB 2.579 65.689 63.200 -0.150 0.000 1.056 12 S HN -0.078 7.969 8.310 -0.438 0.000 0.494 13 F N 1.673 121.678 119.950 0.092 0.000 2.613 13 F HA 0.365 4.935 4.527 0.071 0.000 0.314 13 F C -2.058 173.790 175.800 0.079 0.000 1.075 13 F CA -1.059 57.007 58.000 0.110 0.000 0.945 13 F CB 4.670 43.823 39.000 0.256 0.000 1.310 13 F HN -0.122 8.322 8.300 0.241 0.000 0.467 14 E N -1.217 119.107 120.200 0.206 0.000 2.423 14 E HA 0.858 5.353 4.350 0.025 -0.130 0.280 14 E C -1.619 174.863 176.600 -0.196 0.000 1.030 14 E CA -1.203 55.214 56.400 0.029 0.000 0.812 14 E CB 4.363 34.140 29.700 0.128 0.000 1.313 14 E HN 0.299 8.781 8.360 0.203 0.000 0.456 15 G N -2.062 106.325 108.800 -0.688 0.000 2.369 15 G HA2 -0.018 3.157 3.960 -1.308 0.000 0.293 15 G HA3 -0.018 3.690 3.960 -0.421 0.000 0.293 15 G C -2.471 171.995 174.900 -0.722 0.000 1.301 15 G CA -0.241 44.341 45.100 -0.863 0.000 0.913 15 G HN -0.075 7.725 8.290 -0.817 0.000 0.540 16 V N -2.701 116.981 119.914 -0.386 0.000 2.843 16 V HA 0.450 4.687 4.120 -0.160 -0.214 0.305 16 V C -0.066 175.952 176.094 -0.127 0.000 1.065 16 V CA -1.003 61.194 62.300 -0.172 0.000 1.116 16 V CB 0.801 32.596 31.823 -0.046 0.000 0.968 16 V HN 0.158 8.181 8.190 -0.278 0.000 0.487 17 G N 1.404 110.152 108.800 -0.087 0.000 2.377 17 G HA2 0.330 4.244 3.960 -0.077 0.000 0.299 17 G HA3 0.330 4.405 3.960 -0.061 -0.152 0.299 17 G C -0.847 173.990 174.900 -0.105 0.000 1.150 17 G CA -1.523 43.530 45.100 -0.078 0.000 0.847 17 G HN -0.002 8.247 8.290 -0.068 0.000 0.501 18 I N 3.752 124.219 120.570 -0.172 0.000 2.394 18 I HA -0.366 3.681 4.170 -0.205 0.000 0.251 18 I C 0.584 176.499 176.117 -0.337 0.000 1.136 18 I CA 2.415 63.546 61.300 -0.282 0.000 1.425 18 I CB 0.387 38.149 38.000 -0.396 0.000 1.079 18 I HN 0.487 8.636 8.210 -0.172 -0.042 0.425 19 H N -1.745 117.278 119.070 -0.078 0.000 2.439 19 H HA 0.208 4.800 4.556 -0.094 -0.092 0.299 19 H C 2.421 177.699 175.328 -0.083 0.000 1.033 19 H CA 2.890 58.886 56.048 -0.088 0.000 1.348 19 H CB 0.898 30.603 29.762 -0.095 0.000 1.449 19 H HN -0.329 8.312 8.280 -0.155 -0.454 0.544 20 T N -2.137 112.438 114.554 0.035 0.000 2.985 20 T HA -0.068 4.279 4.350 -0.005 0.000 0.266 20 T C 1.573 176.267 174.700 -0.010 0.000 1.076 20 T CA 1.705 63.804 62.100 -0.001 0.000 1.135 20 T CB 0.418 69.278 68.868 -0.013 0.000 0.890 20 T HN 0.063 8.686 8.240 0.026 -0.367 0.480 21 G N 2.094 110.882 108.800 -0.020 0.000 2.175 21 G HA2 -0.439 3.588 3.960 -0.027 0.000 0.265 21 G HA3 -0.439 3.512 3.960 -0.014 0.000 0.265 21 G C -0.571 174.334 174.900 0.010 0.000 0.979 21 G CA 0.411 45.501 45.100 -0.016 0.000 0.663 21 G HN -0.378 7.893 8.290 -0.032 0.000 0.533 22 E N -0.120 120.088 120.200 0.013 0.000 2.283 22 E HA 0.119 4.508 4.350 0.066 0.000 0.267 22 E C -1.268 175.376 176.600 0.074 0.000 1.045 22 E CA -1.388 55.041 56.400 0.049 0.000 0.884 22 E CB 1.763 31.483 29.700 0.034 0.000 1.106 22 E HN -0.672 7.625 8.360 0.000 0.063 0.408 23 Y N 2.622 122.924 120.300 0.003 0.000 2.316 23 Y HA -0.088 4.617 4.550 0.018 -0.144 0.331 23 Y C -0.636 175.277 175.900 0.022 0.000 1.083 23 Y CA 0.910 59.018 58.100 0.014 0.000 1.206 23 Y CB 0.741 39.208 38.460 0.013 0.000 1.195 23 Y HN 0.171 8.595 8.280 0.240 0.000 0.497 24 S N 6.746 122.410 115.700 -0.060 0.000 2.667 24 S HA 0.556 5.192 4.470 0.119 -0.095 0.292 24 S C -0.404 174.215 174.600 0.031 0.000 1.126 24 S CA -0.845 57.378 58.200 0.039 0.000 0.881 24 S CB 2.267 65.474 63.200 0.012 0.000 1.132 24 S HN 0.297 8.415 8.310 -0.320 0.000 0.492 25 K N 1.657 122.120 120.400 0.105 0.000 2.371 25 K HA 0.859 5.181 4.320 0.004 0.000 0.251 25 K C -1.757 174.931 176.600 0.147 0.000 0.934 25 K CA -0.368 55.999 56.287 0.133 0.000 0.798 25 K CB 2.301 34.893 32.500 0.153 0.000 1.204 25 K HN 0.251 nan 8.250 nan 0.000 0.427 26 L N 1.082 122.419 121.223 0.189 0.000 2.346 26 L HA 0.959 5.627 4.340 0.191 -0.214 0.274 26 L C -0.960 176.011 176.870 0.168 0.000 1.007 26 L CA -1.512 53.455 54.840 0.213 0.000 0.818 26 L CB 2.981 45.223 42.059 0.304 0.000 1.284 26 L HN 0.587 8.944 8.230 0.211 0.000 0.424 27 I N 1.002 121.646 120.570 0.123 0.000 2.447 27 I HA 0.431 4.741 4.170 -0.041 -0.166 0.287 27 I C -1.229 174.836 176.117 -0.086 0.000 1.023 27 I CA -1.052 60.230 61.300 -0.031 0.000 1.083 27 I CB 3.144 41.081 38.000 -0.106 0.000 1.245 27 I HN 0.363 8.667 8.210 0.156 0.000 0.434 28 I N 7.176 127.686 120.570 -0.100 0.000 2.315 28 I HA 0.367 4.723 4.170 0.007 -0.181 0.291 28 I C -1.024 174.984 176.117 -0.182 0.000 1.006 28 I CA -1.125 60.142 61.300 -0.054 0.000 1.265 28 I CB 0.682 38.715 38.000 0.055 0.000 1.387 28 I HN 0.681 8.848 8.210 -0.072 0.000 0.475 29 H N 7.983 127.049 119.070 -0.007 0.000 2.457 29 H HA 0.439 4.984 4.556 -0.019 0.000 0.335 29 H C -2.099 173.209 175.328 -0.033 0.000 1.115 29 H CA -2.196 53.838 56.048 -0.023 0.000 1.219 29 H CB 1.678 31.416 29.762 -0.040 0.000 1.471 29 H HN 0.652 9.023 8.280 0.151 0.000 0.491 30 P HA 0.070 4.500 4.420 0.017 0.000 0.269 30 P C -1.099 176.213 177.300 0.019 0.000 1.209 30 P CA 0.218 63.337 63.100 0.032 0.000 0.776 30 P CB 0.690 32.400 31.700 0.018 0.000 0.876 31 E N 1.533 121.727 120.200 -0.010 0.000 2.390 31 E HA 0.218 4.545 4.350 -0.040 0.000 0.277 31 E C -1.368 175.209 176.600 -0.038 0.000 0.939 31 E CA -2.081 54.298 56.400 -0.036 0.000 0.769 31 E CB 4.421 34.087 29.700 -0.057 0.000 1.251 31 E HN 0.074 8.428 8.360 -0.012 0.000 0.450 32 K N -0.266 120.106 120.400 -0.047 0.000 2.149 32 K HA -0.010 4.290 4.320 -0.032 0.000 0.245 32 K C -0.226 176.348 176.600 -0.043 0.000 1.024 32 K CA -0.590 55.672 56.287 -0.041 0.000 0.899 32 K CB 0.552 33.026 32.500 -0.043 0.000 1.038 32 K HN 0.216 8.432 8.250 -0.056 0.000 0.496 33 E N -0.202 119.977 120.200 -0.035 0.000 2.481 33 E HA -0.337 4.122 4.350 -0.033 -0.128 0.263 33 E C 1.351 177.926 176.600 -0.042 0.000 0.992 33 E CA 1.966 58.346 56.400 -0.034 0.000 0.938 33 E CB -0.515 29.169 29.700 -0.027 0.000 0.933 33 E HN 0.165 8.507 8.360 -0.031 0.000 0.453 34 G N 4.038 112.812 108.800 -0.043 0.000 2.176 34 G HA2 -0.323 3.612 3.960 -0.041 0.000 0.253 34 G HA3 -0.323 3.610 3.960 -0.044 0.000 0.253 34 G C 0.325 175.186 174.900 -0.064 0.000 0.979 34 G CA 0.878 45.950 45.100 -0.047 0.000 0.641 34 G HN 0.298 8.825 8.290 -0.041 -0.261 0.530 35 T N 2.434 116.943 114.554 -0.076 0.000 2.812 35 T HA -0.178 4.103 4.350 -0.115 0.000 0.264 35 T C 0.136 174.768 174.700 -0.113 0.000 1.042 35 T CA 2.744 64.781 62.100 -0.104 0.000 1.140 35 T CB 0.538 69.339 68.868 -0.112 0.000 0.870 35 T HN -0.573 7.678 8.240 -0.069 -0.052 0.445 36 G N -0.712 108.028 108.800 -0.100 0.000 2.760 36 G HA2 -0.312 3.694 3.960 -0.108 0.000 0.246 36 G HA3 -0.312 3.570 3.960 -0.131 0.000 0.246 36 G C -2.018 172.783 174.900 -0.166 0.000 1.359 36 G CA -0.580 44.445 45.100 -0.125 0.000 0.861 36 G HN -0.394 8.156 8.290 -0.083 -0.309 0.541 37 I N 0.330 120.752 120.570 -0.246 0.000 2.342 37 I HA 0.440 4.614 4.170 -0.264 -0.162 0.291 37 I C -0.615 175.318 176.117 -0.307 0.000 1.010 37 I CA -1.633 59.479 61.300 -0.313 0.000 1.308 37 I CB -0.770 36.946 38.000 -0.473 0.000 1.400 37 I HN 0.264 8.302 8.210 -0.286 0.000 0.488 38 R N 3.682 124.004 120.500 -0.298 0.000 2.740 38 R HA 0.537 4.860 4.340 -0.182 -0.093 0.273 38 R C -2.060 174.079 176.300 -0.268 0.000 0.998 38 R CA -1.859 54.120 56.100 -0.202 0.000 0.900 38 R CB 3.839 34.106 30.300 -0.054 0.000 1.223 38 R HN 0.178 8.273 8.270 -0.292 0.000 0.466 39 F N -1.657 118.298 119.950 0.007 0.000 2.408 39 F HA 0.597 5.339 4.527 0.073 -0.171 0.325 39 F C -0.665 175.211 175.800 0.127 0.000 1.082 39 F CA -1.108 56.921 58.000 0.049 0.000 1.032 39 F CB 3.186 42.173 39.000 -0.021 0.000 1.259 39 F HN 0.418 8.874 8.300 0.260 0.000 0.503 40 F N 1.437 121.444 119.950 0.096 0.000 2.573 40 F HA 0.809 5.411 4.527 -0.244 -0.221 0.316 40 F C -2.549 173.204 175.800 -0.079 0.000 1.148 40 F CA -1.201 56.712 58.000 -0.146 0.000 0.940 40 F CB 4.031 42.846 39.000 -0.308 0.000 1.214 40 F HN 0.329 8.848 8.300 0.366 0.000 0.448 41 K N 7.456 127.414 120.400 -0.737 0.000 2.553 41 K HA 0.443 4.502 4.320 -0.436 0.000 0.250 41 K C -1.022 175.191 176.600 -0.645 0.000 0.953 41 K CA -0.448 55.523 56.287 -0.527 0.000 0.800 41 K CB 3.234 35.596 32.500 -0.230 0.000 1.243 41 K HN 0.483 8.214 8.250 -0.865 0.000 0.435 42 N N 6.048 124.434 118.700 -0.524 0.000 2.714 42 N HA -0.288 4.289 4.740 -0.271 0.000 0.252 42 N C -0.491 174.758 175.510 -0.435 0.000 1.014 42 N CA 1.359 54.191 53.050 -0.363 0.000 0.735 42 N CB -1.495 36.859 38.487 -0.222 0.000 0.924 42 N HN 1.023 9.145 8.380 -0.430 0.000 0.540 43 G N -6.460 101.892 108.800 -0.747 0.000 2.179 43 G HA2 -0.453 3.410 3.960 -0.161 0.000 0.260 43 G HA3 -0.453 3.404 3.960 -0.171 0.000 0.260 43 G C -1.253 173.429 174.900 -0.364 0.000 0.977 43 G CA 0.177 45.034 45.100 -0.406 0.000 0.641 43 G HN -0.026 7.538 8.290 -1.196 0.009 0.533 44 V N 1.244 120.793 119.914 -0.608 0.000 2.495 44 V HA 0.174 4.260 4.120 -0.057 0.000 0.298 44 V C -1.260 174.689 176.094 -0.241 0.000 1.031 44 V CA -1.323 60.829 62.300 -0.247 0.000 0.871 44 V CB 2.242 33.974 31.823 -0.151 0.000 0.988 44 V HN -0.613 6.906 8.190 -0.842 0.166 0.432 45 Y N 5.711 126.115 120.300 0.174 0.000 2.313 45 Y HA 0.219 5.081 4.550 0.214 -0.184 0.332 45 Y C 0.443 176.351 175.900 0.013 0.000 1.071 45 Y CA -0.457 57.736 58.100 0.155 0.000 1.169 45 Y CB 1.181 39.713 38.460 0.119 0.000 1.192 45 Y HN 0.238 8.734 8.280 0.361 0.000 0.487 46 I N 4.650 125.266 120.570 0.076 0.000 2.437 46 I HA 0.381 4.273 4.170 -0.463 0.000 0.279 46 I C -2.183 173.767 176.117 -0.279 0.000 1.028 46 I CA -3.317 57.861 61.300 -0.203 0.000 1.142 46 I CB 1.502 39.478 38.000 -0.040 0.000 1.266 46 I HN 0.499 8.697 8.210 0.160 0.108 0.461 47 P HA -0.059 4.211 4.420 -0.251 0.000 0.267 47 P C -0.844 176.337 177.300 -0.199 0.000 1.200 47 P CA -0.204 62.643 63.100 -0.421 0.000 0.772 47 P CB 0.291 31.699 31.700 -0.487 0.000 0.855 48 A N 4.457 127.228 122.820 -0.082 0.000 3.063 48 A HA 0.066 4.473 4.320 0.144 0.000 0.263 48 A C -1.530 176.032 177.584 -0.036 0.000 1.736 48 A CA -0.346 51.697 52.037 0.009 0.000 1.408 48 A CB -1.227 17.711 19.000 -0.102 0.000 1.108 48 A HN 0.230 8.291 8.150 -0.148 0.000 0.621 49 R N 0.138 120.683 120.500 0.076 0.000 2.808 49 R HA 0.560 5.088 4.340 0.023 -0.174 0.272 49 R C 1.001 177.342 176.300 0.069 0.000 0.995 49 R CA -1.476 54.663 56.100 0.064 0.000 0.917 49 R CB 4.014 34.349 30.300 0.058 0.000 1.217 49 R HN -0.478 7.841 8.270 0.154 0.043 0.471 50 H N 1.682 120.775 119.070 0.039 0.000 2.456 50 H HA -0.264 4.299 4.556 0.012 0.000 0.296 50 H C 1.376 176.674 175.328 -0.050 0.000 1.079 50 H CA 3.290 59.338 56.048 -0.001 0.000 1.322 50 H CB -0.344 29.401 29.762 -0.029 0.000 1.388 50 H HN 0.267 8.558 8.280 0.017 0.000 0.538 51 E N -0.942 118.897 120.200 -0.601 0.000 2.333 51 E HA -0.244 3.875 4.350 -0.386 0.000 0.198 51 E C 0.718 176.943 176.600 -0.624 0.000 1.007 51 E CA 2.752 58.781 56.400 -0.619 0.000 0.845 51 E CB -0.897 28.267 29.700 -0.894 0.000 0.766 51 E HN 0.290 8.104 8.360 -0.865 0.027 0.507 52 F N -3.830 116.051 119.950 -0.114 0.000 2.664 52 F HA 0.103 4.612 4.527 -0.031 0.000 0.303 52 F C -0.548 175.239 175.800 -0.022 0.000 1.092 52 F CA 0.212 58.177 58.000 -0.057 0.000 1.305 52 F CB 0.811 39.761 39.000 -0.083 0.000 1.054 52 F HN -0.511 7.735 8.300 -0.012 0.047 0.565 53 V N 0.813 120.779 119.914 0.087 0.000 2.585 53 V HA -0.150 4.181 4.120 0.060 -0.175 0.296 53 V C 0.702 176.827 176.094 0.052 0.000 1.035 53 V CA 1.718 64.056 62.300 0.062 0.000 1.084 53 V CB 0.207 32.060 31.823 0.050 0.000 0.953 53 V HN -0.675 7.497 8.190 0.051 0.049 0.483 54 V N 0.784 120.733 119.914 0.058 0.000 3.502 54 V HA 0.401 4.554 4.120 0.055 0.000 0.288 54 V C -0.846 175.315 176.094 0.112 0.000 1.461 54 V CA -0.985 61.356 62.300 0.068 0.000 1.029 54 V CB 1.665 33.527 31.823 0.064 0.000 0.843 54 V HN 0.375 8.598 8.190 0.055 0.000 0.438 55 H N 1.650 120.701 119.070 -0.032 0.000 3.112 55 H HA 0.287 4.823 4.556 -0.032 0.000 0.347 55 H C -2.397 172.898 175.328 -0.055 0.000 1.188 55 H CA 0.849 56.871 56.048 -0.044 0.000 1.240 55 H CB 3.334 33.058 29.762 -0.063 0.000 1.920 55 H HN -0.844 7.491 8.280 0.092 0.000 0.535 56 T N 1.001 115.324 114.554 -0.384 0.000 3.403 56 T HA 0.259 4.727 4.350 -0.106 -0.182 0.308 56 T C -0.552 174.025 174.700 -0.206 0.000 0.952 56 T CA -1.309 60.680 62.100 -0.186 0.000 0.970 56 T CB 0.773 69.595 68.868 -0.076 0.000 1.189 56 T HN 0.166 8.002 8.240 -0.673 0.000 0.528 57 N N 2.330 120.753 118.700 -0.462 0.000 2.462 57 N HA 0.115 4.703 4.740 -0.254 0.000 0.242 57 N C -0.515 175.006 175.510 0.017 0.000 1.010 57 N CA -0.681 52.219 53.050 -0.249 0.000 0.939 57 N CB 0.030 38.384 38.487 -0.221 0.000 1.127 57 N HN -0.798 6.969 8.380 -1.022 0.000 0.509 58 H N -0.195 118.932 119.070 0.094 0.000 3.882 58 H HA -0.423 4.234 4.556 0.168 0.000 0.165 58 H C -1.916 173.510 175.328 0.162 0.000 0.896 58 H CA 1.844 57.961 56.048 0.115 0.000 1.243 58 H CB -1.160 28.590 29.762 -0.020 0.000 0.958 58 H HN 0.364 8.554 8.280 -0.150 0.000 0.400 59 S N -4.724 111.036 115.700 0.099 0.000 2.615 59 S HA 0.357 4.756 4.470 -0.392 -0.165 0.268 59 S C -1.787 172.594 174.600 -0.365 0.000 1.146 59 S CA -1.186 56.898 58.200 -0.193 0.000 0.818 59 S CB 3.243 66.447 63.200 0.006 0.000 1.111 59 S HN -0.500 7.773 8.310 0.086 0.089 0.465 60 T N 3.815 118.069 114.554 -0.500 0.000 2.758 60 T HA 0.491 4.885 4.350 -0.194 -0.161 0.285 60 T C -1.160 173.446 174.700 -0.157 0.000 0.981 60 T CA 0.719 62.651 62.100 -0.280 0.000 0.965 60 T CB 1.303 70.005 68.868 -0.277 0.000 0.927 60 T HN 0.191 8.424 8.240 -0.556 -0.327 0.448 61 D N 6.678 127.036 120.400 -0.071 0.000 2.481 61 D HA 0.721 5.393 4.640 -0.144 -0.119 0.244 61 D C -1.368 174.894 176.300 -0.062 0.000 1.057 61 D CA -1.040 52.910 54.000 -0.084 0.000 0.848 61 D CB 3.532 44.303 40.800 -0.050 0.000 1.388 61 D HN 0.083 8.440 8.370 -0.023 0.000 0.475 62 L N -0.370 120.783 121.223 -0.117 0.000 2.319 62 L HA 0.932 5.480 4.340 0.025 -0.193 0.267 62 L C -0.888 175.971 176.870 -0.020 0.000 1.011 62 L CA -1.812 52.999 54.840 -0.049 0.000 0.818 62 L CB 3.584 45.578 42.059 -0.109 0.000 1.316 62 L HN 0.216 8.332 8.230 -0.190 0.000 0.432 63 G N -1.694 107.166 108.800 0.100 0.000 2.720 63 G HA2 0.672 4.846 3.960 0.067 0.000 0.295 63 G HA3 0.672 4.690 3.960 0.096 0.000 0.295 63 G C -3.315 171.785 174.900 0.335 0.000 1.437 63 G CA -0.100 45.076 45.100 0.128 0.000 0.886 63 G HN 0.104 8.500 8.290 0.177 0.000 0.509 64 F N -0.208 119.780 119.950 0.064 0.000 2.635 64 F HA 0.263 4.893 4.527 0.171 0.000 0.314 64 F C -1.254 174.568 175.800 0.038 0.000 1.119 64 F CA -1.330 56.740 58.000 0.117 0.000 1.000 64 F CB 3.456 42.532 39.000 0.127 0.000 1.278 64 F HN 0.026 8.445 8.300 0.199 0.000 0.446 65 K N 6.091 126.157 120.400 -0.557 0.000 3.035 65 K HA -0.288 3.749 4.320 -0.473 0.000 0.262 65 K C -0.451 176.007 176.600 -0.236 0.000 1.024 65 K CA 1.088 57.063 56.287 -0.520 0.000 0.748 65 K CB -2.110 29.967 32.500 -0.705 0.000 1.247 65 K HN 0.922 8.834 8.250 -0.563 0.000 0.482 66 G N -5.444 103.273 108.800 -0.139 0.000 2.159 66 G HA2 -0.405 3.511 3.960 -0.073 0.000 0.256 66 G HA3 -0.405 3.494 3.960 -0.102 0.000 0.256 66 G C -0.974 173.876 174.900 -0.083 0.000 0.977 66 G CA -0.107 44.937 45.100 -0.094 0.000 0.652 66 G HN 0.057 8.264 8.290 -0.111 0.017 0.531 67 Q N 0.722 120.476 119.800 -0.078 0.000 2.333 67 Q HA 0.348 4.636 4.340 -0.087 0.000 0.267 67 Q C -1.305 174.664 176.000 -0.052 0.000 1.012 67 Q CA -1.429 54.326 55.803 -0.080 0.000 0.824 67 Q CB 1.764 30.435 28.738 -0.113 0.000 1.290 67 Q HN -0.271 7.800 8.270 -0.072 0.155 0.449 68 R N 2.010 122.467 120.500 -0.072 0.000 2.686 68 R HA 0.773 5.241 4.340 -0.064 -0.167 0.286 68 R C -1.273 174.956 176.300 -0.119 0.000 0.969 68 R CA -1.014 55.038 56.100 -0.079 0.000 0.898 68 R CB 3.530 33.788 30.300 -0.071 0.000 1.183 68 R HN 0.351 8.573 8.270 -0.080 0.000 0.456 69 I N 2.314 122.782 120.570 -0.169 0.000 2.478 69 I HA 0.278 4.478 4.170 -0.173 -0.134 0.287 69 I C -1.596 174.384 176.117 -0.230 0.000 1.042 69 I CA -0.832 60.332 61.300 -0.226 0.000 1.067 69 I CB 3.075 40.847 38.000 -0.381 0.000 1.233 69 I HN 0.561 8.668 8.210 -0.171 0.000 0.431 70 K N 7.176 127.476 120.400 -0.168 0.000 2.144 70 K HA 0.105 4.497 4.320 -0.145 -0.159 0.270 70 K C -0.436 176.083 176.600 -0.136 0.000 1.005 70 K CA -0.006 56.199 56.287 -0.137 0.000 0.932 70 K CB 1.172 33.618 32.500 -0.090 0.000 1.021 70 K HN 0.099 8.265 8.250 -0.140 0.000 0.462 71 T N 0.260 114.740 114.554 -0.123 0.000 3.803 71 T HA -0.407 4.029 4.350 -0.143 -0.172 0.386 71 T C 0.286 174.895 174.700 -0.151 0.000 0.761 71 T CA 1.555 63.581 62.100 -0.124 0.000 2.046 71 T CB -2.444 66.382 68.868 -0.069 0.000 1.764 71 T HN 0.393 8.833 8.240 -0.124 -0.274 0.798 72 V N -6.358 113.451 119.914 -0.176 0.000 3.541 72 V HA -0.006 4.058 4.120 -0.094 0.000 0.267 72 V C 0.749 176.828 176.094 -0.025 0.000 1.213 72 V CA 1.437 63.666 62.300 -0.119 0.000 1.149 72 V CB 0.268 31.965 31.823 -0.210 0.000 0.822 72 V HN -0.442 7.631 8.190 -0.193 0.000 0.462 73 E N 1.202 121.356 120.200 -0.076 0.000 2.106 73 E HA -0.412 3.923 4.350 -0.025 0.000 0.192 73 E C 1.230 177.843 176.600 0.020 0.000 0.984 73 E CA 3.104 59.487 56.400 -0.029 0.000 0.806 73 E CB -1.192 28.497 29.700 -0.019 0.000 0.750 73 E HN 0.511 8.735 8.360 -0.139 0.053 0.458 74 H N 0.086 119.152 119.070 -0.007 0.000 2.307 74 H HA -0.212 4.228 4.556 -0.193 0.000 0.303 74 H C 2.079 177.430 175.328 0.038 0.000 1.073 74 H CA 2.132 58.236 56.048 0.093 0.000 1.338 74 H CB 0.243 30.275 29.762 0.449 0.000 1.389 74 H HN -0.377 7.976 8.280 0.122 0.000 0.503 75 I N -0.267 120.333 120.570 0.050 0.000 2.286 75 I HA -0.460 3.458 4.170 -0.419 0.000 0.248 75 I C 1.089 177.156 176.117 -0.082 0.000 1.115 75 I CA 3.186 64.320 61.300 -0.277 0.000 1.392 75 I CB 0.012 37.696 38.000 -0.527 0.000 1.065 75 I HN -0.243 8.004 8.210 0.062 0.000 0.418 76 L N -2.167 119.065 121.223 0.015 0.000 2.083 76 L HA -0.489 3.919 4.340 0.112 0.000 0.209 76 L C 1.900 178.841 176.870 0.118 0.000 1.083 76 L CA 3.350 58.249 54.840 0.099 0.000 0.752 76 L CB -0.648 41.481 42.059 0.117 0.000 0.899 76 L HN -0.341 7.911 8.230 0.036 0.000 0.433 77 S N -0.242 115.405 115.700 -0.088 0.000 2.368 77 S HA -0.378 4.007 4.470 -0.142 0.000 0.225 77 S C 2.158 176.732 174.600 -0.044 0.000 1.030 77 S CA 3.535 61.583 58.200 -0.254 0.000 0.999 77 S CB -0.355 62.234 63.200 -1.018 0.000 0.844 77 S HN -0.496 7.719 8.310 -0.159 0.000 0.459 78 V N 2.190 122.162 119.914 0.097 0.000 2.295 78 V HA -0.512 3.829 4.120 0.368 0.000 0.246 78 V C 1.661 177.874 176.094 0.197 0.000 1.049 78 V CA 4.375 66.837 62.300 0.270 0.000 1.024 78 V CB -0.043 31.979 31.823 0.331 0.000 0.648 78 V HN -0.503 7.733 8.190 0.076 0.000 0.447 79 L N -2.110 119.202 121.223 0.148 0.000 2.083 79 L HA -0.507 3.914 4.340 0.135 0.000 0.209 79 L C 1.882 178.856 176.870 0.174 0.000 1.083 79 L CA 3.273 58.219 54.840 0.176 0.000 0.752 79 L CB -0.617 41.564 42.059 0.203 0.000 0.899 79 L HN -0.528 7.773 8.230 0.118 0.000 0.433 80 H N 0.111 119.133 119.070 -0.080 0.000 2.321 80 H HA -0.337 3.637 4.556 -0.970 0.000 0.300 80 H C 2.966 178.179 175.328 -0.191 0.000 1.087 80 H CA 2.892 58.639 56.048 -0.502 0.000 1.319 80 H CB 0.545 29.992 29.762 -0.526 0.000 1.379 80 H HN -0.284 8.123 8.280 0.211 0.000 0.501 81 L N -2.758 118.479 121.223 0.024 0.000 2.083 81 L HA -0.239 4.085 4.340 -0.026 0.000 0.209 81 L C 0.954 177.927 176.870 0.173 0.000 1.083 81 L CA 2.434 57.310 54.840 0.060 0.000 0.752 81 L CB 0.347 42.478 42.059 0.119 0.000 0.899 81 L HN -0.383 7.879 8.230 0.053 0.000 0.433 82 L N -6.783 114.542 121.223 0.171 0.000 2.591 82 L HA -0.052 4.374 4.340 0.143 0.000 0.228 82 L C -0.687 176.245 176.870 0.104 0.000 1.133 82 L CA -0.179 54.738 54.840 0.128 0.000 0.880 82 L CB 0.383 42.478 42.059 0.060 0.000 1.033 82 L HN -0.683 7.646 8.230 0.166 0.000 0.450 83 E N -5.044 115.220 120.200 0.107 0.000 2.440 83 E HA -0.454 3.942 4.350 0.077 0.000 0.246 83 E C -1.041 175.612 176.600 0.088 0.000 1.165 83 E CA 0.703 57.163 56.400 0.100 0.000 0.726 83 E CB -2.311 27.472 29.700 0.139 0.000 1.271 83 E HN -0.538 7.698 8.360 0.103 0.186 0.397 84 I N -1.667 118.965 120.570 0.103 0.000 2.452 84 I HA -0.121 4.087 4.170 0.063 0.000 0.287 84 I C -0.030 176.174 176.117 0.146 0.000 1.079 84 I CA -0.825 60.531 61.300 0.093 0.000 1.387 84 I CB -1.730 36.315 38.000 0.075 0.000 1.404 84 I HN -0.513 7.734 8.210 0.109 0.029 0.522 85 T N 4.072 118.678 114.554 0.086 0.000 2.969 85 T HA 0.247 4.706 4.350 0.181 0.000 0.250 85 T C -0.295 174.404 174.700 -0.002 0.000 1.021 85 T CA -0.587 61.563 62.100 0.085 0.000 1.003 85 T CB 1.961 70.852 68.868 0.038 0.000 1.040 85 T HN 0.456 8.726 8.240 0.050 0.000 0.492 86 N N 1.296 119.985 118.700 -0.018 0.000 2.504 86 N HA 0.464 5.376 4.740 -0.072 -0.215 0.280 86 N C -2.475 173.005 175.510 -0.050 0.000 1.052 86 N CA -0.079 52.941 53.050 -0.049 0.000 0.887 86 N CB 3.173 41.635 38.487 -0.042 0.000 1.323 86 N HN -0.583 7.794 8.380 -0.004 0.000 0.509 87 V N 3.881 123.748 119.914 -0.077 0.000 3.106 87 V HA 0.348 4.596 4.120 -0.031 -0.147 0.280 87 V C -2.620 173.423 176.094 -0.086 0.000 1.525 87 V CA -0.800 61.462 62.300 -0.063 0.000 0.999 87 V CB 4.853 36.635 31.823 -0.067 0.000 1.186 87 V HN 0.309 8.438 8.190 -0.102 0.000 0.448 88 T N 7.562 122.108 114.554 -0.013 0.000 2.770 88 T HA 0.616 5.159 4.350 -0.042 -0.218 0.283 88 T C -0.693 174.043 174.700 0.060 0.000 0.988 88 T CA -0.393 61.719 62.100 0.020 0.000 0.957 88 T CB 1.290 70.207 68.868 0.081 0.000 0.930 88 T HN -0.027 8.236 8.240 0.039 0.000 0.443 89 I N 8.116 128.644 120.570 -0.070 0.000 2.282 89 I HA 0.177 4.496 4.170 0.054 -0.117 0.290 89 I C -1.518 174.723 176.117 0.207 0.000 1.090 89 I CA -0.572 60.723 61.300 -0.009 0.000 1.231 89 I CB 0.140 37.974 38.000 -0.276 0.000 1.434 89 I HN 0.805 8.890 8.210 -0.209 0.000 0.487 90 E N 8.722 129.104 120.200 0.304 0.000 2.290 90 E HA 0.224 5.017 4.350 0.404 -0.201 0.277 90 E C -1.176 175.580 176.600 0.260 0.000 1.035 90 E CA -0.530 56.086 56.400 0.360 0.000 0.873 90 E CB 1.390 31.365 29.700 0.459 0.000 1.029 90 E HN 0.334 8.895 8.360 0.334 0.000 0.419 91 V N 7.526 127.564 119.914 0.206 0.000 2.409 91 V HA 0.322 4.688 4.120 0.153 -0.154 0.291 91 V C -1.451 174.690 176.094 0.079 0.000 1.020 91 V CA -1.225 61.158 62.300 0.139 0.000 0.848 91 V CB 1.858 33.746 31.823 0.109 0.000 0.990 91 V HN 0.412 8.714 8.190 0.187 0.000 0.430 92 I N 7.751 128.373 120.570 0.087 0.000 2.347 92 I HA 0.190 4.381 4.170 0.034 0.000 0.283 92 I C -1.396 174.753 176.117 0.054 0.000 1.058 92 I CA -1.178 60.159 61.300 0.061 0.000 1.202 92 I CB -0.890 37.159 38.000 0.081 0.000 1.386 92 I HN 0.271 8.545 8.210 0.106 0.000 0.475 93 G N 5.046 113.860 108.800 0.022 0.000 2.325 93 G HA2 -0.189 3.781 3.960 0.017 0.000 0.285 93 G HA3 -0.189 3.790 3.960 0.031 0.000 0.285 93 G C -1.608 173.283 174.900 -0.014 0.000 1.303 93 G CA -0.243 44.867 45.100 0.016 0.000 0.970 93 G HN -0.446 7.846 8.290 0.003 0.000 0.490 94 N N -0.653 118.035 118.700 -0.021 0.000 2.171 94 N HA 0.243 4.948 4.740 -0.059 0.000 0.212 94 N C -0.967 174.506 175.510 -0.062 0.000 1.184 94 N CA -0.078 52.943 53.050 -0.047 0.000 0.888 94 N CB 2.586 41.046 38.487 -0.044 0.000 1.038 94 N HN 0.275 8.649 8.380 -0.011 0.000 0.517 95 E N -1.810 118.361 120.200 -0.047 0.000 2.388 95 E HA 0.276 4.808 4.350 -0.081 -0.231 0.280 95 E C -1.947 174.637 176.600 -0.027 0.000 1.019 95 E CA -0.981 55.387 56.400 -0.054 0.000 0.806 95 E CB 3.177 32.853 29.700 -0.040 0.000 1.246 95 E HN -0.617 7.726 8.360 -0.030 0.000 0.443 96 I N 3.553 124.107 120.570 -0.026 0.000 2.588 96 I HA 0.204 4.415 4.170 0.068 0.000 0.283 96 I C -1.776 174.380 176.117 0.065 0.000 1.119 96 I CA -3.576 57.750 61.300 0.043 0.000 1.419 96 I CB -1.323 36.705 38.000 0.046 0.000 1.394 96 I HN -0.219 7.958 8.210 -0.056 0.000 0.562 97 P HA -0.131 4.419 4.420 -0.032 -0.150 0.266 97 P C -1.061 176.296 177.300 0.096 0.000 1.195 97 P CA 0.293 63.421 63.100 0.046 0.000 0.768 97 P CB 0.366 32.088 31.700 0.036 0.000 0.838 98 I N 2.451 123.028 120.570 0.012 0.000 2.876 98 I HA -0.096 4.149 4.170 0.125 0.000 0.264 98 I C 0.455 176.579 176.117 0.012 0.000 1.204 98 I CA -1.646 59.680 61.300 0.044 0.000 1.485 98 I CB 1.222 39.206 38.000 -0.026 0.000 1.103 98 I HN -0.156 8.032 8.210 -0.035 0.000 0.446 99 L N -3.264 117.923 121.223 -0.061 0.000 6.223 99 L HA -0.526 3.762 4.340 -0.087 0.000 0.053 99 L C -0.292 176.546 176.870 -0.054 0.000 2.244 99 L CA 2.050 56.831 54.840 -0.098 0.000 1.647 99 L CB -2.210 39.708 42.059 -0.235 0.000 2.769 99 L HN -0.285 7.906 8.230 -0.065 0.000 1.016 100 D N -0.184 120.187 120.400 -0.048 0.000 2.328 100 D HA -0.092 4.530 4.640 -0.031 0.000 0.226 100 D C 1.536 177.818 176.300 -0.030 0.000 1.066 100 D CA -0.393 53.589 54.000 -0.029 0.000 0.861 100 D CB 0.303 41.096 40.800 -0.011 0.000 0.912 100 D HN 0.063 8.394 8.370 -0.064 0.000 0.521 101 G N -0.778 108.023 108.800 0.001 0.000 2.194 101 G HA2 -0.398 3.616 3.960 0.087 0.000 0.236 101 G HA3 -0.398 3.668 3.960 -0.028 -0.122 0.236 101 G C -0.797 174.121 174.900 0.030 0.000 0.987 101 G CA 0.600 45.718 45.100 0.029 0.000 0.635 101 G HN 0.056 8.287 8.290 0.016 0.069 0.520 102 S N 0.490 116.171 115.700 -0.032 0.000 2.806 102 S HA 0.581 4.986 4.470 -0.272 -0.098 0.315 102 S C 0.479 175.010 174.600 -0.115 0.000 1.127 102 S CA -1.958 56.141 58.200 -0.168 0.000 0.918 102 S CB 2.695 65.799 63.200 -0.160 0.000 1.240 102 S HN -0.476 8.058 8.310 -0.021 -0.237 0.552 103 G N -1.557 107.082 108.800 -0.268 0.000 2.985 103 G HA2 0.294 4.482 3.960 0.380 0.000 0.209 103 G HA3 0.294 4.365 3.960 0.185 0.000 0.209 103 G C -0.054 174.965 174.900 0.197 0.000 1.165 103 G CA -0.298 44.883 45.100 0.134 0.000 0.776 103 G HN 0.038 7.956 8.290 -0.620 0.000 0.541 104 W N 2.559 123.804 121.300 -0.092 0.000 2.333 104 W HA -0.495 4.182 4.660 0.027 0.000 0.316 104 W C 0.116 176.672 176.519 0.063 0.000 1.215 104 W CA 4.223 61.562 57.345 -0.010 0.000 1.278 104 W CB 0.053 29.481 29.460 -0.053 0.000 1.154 104 W HN -0.457 7.775 8.180 0.199 0.067 0.486 105 E N -1.683 118.445 120.200 -0.121 0.000 2.077 105 E HA -0.413 3.769 4.350 -0.281 0.000 0.193 105 E C 2.402 178.938 176.600 -0.106 0.000 0.989 105 E CA 3.269 59.541 56.400 -0.213 0.000 0.800 105 E CB -0.656 28.939 29.700 -0.174 0.000 0.746 105 E HN 0.279 8.611 8.360 -0.047 0.000 0.452 106 F N -2.040 117.839 119.950 -0.118 0.000 2.102 106 F HA -0.373 3.827 4.527 -0.545 0.000 0.298 106 F C 1.959 177.739 175.800 -0.032 0.000 1.105 106 F CA 2.667 60.511 58.000 -0.260 0.000 1.239 106 F CB -0.017 38.828 39.000 -0.257 0.000 0.991 106 F HN -0.536 7.516 8.300 -0.414 0.000 0.474 107 Y N -0.522 119.826 120.300 0.079 0.000 2.145 107 Y HA -0.558 4.041 4.550 0.082 0.000 0.286 107 Y C 1.800 177.626 175.900 -0.124 0.000 1.145 107 Y CA 4.009 62.118 58.100 0.014 0.000 1.148 107 Y CB 0.204 38.693 38.460 0.049 0.000 0.981 107 Y HN 0.018 8.492 8.280 0.323 0.000 0.507 108 E N -2.269 117.762 120.200 -0.282 0.000 2.077 108 E HA -0.429 3.680 4.350 -0.402 0.000 0.193 108 E C 2.450 178.928 176.600 -0.203 0.000 0.989 108 E CA 2.743 58.900 56.400 -0.404 0.000 0.800 108 E CB -0.548 28.740 29.700 -0.688 0.000 0.746 108 E HN -0.261 7.887 8.360 -0.354 0.000 0.452 109 A N -1.181 121.605 122.820 -0.056 0.000 1.898 109 A HA -0.153 4.157 4.320 -0.017 0.000 0.216 109 A C 2.046 179.657 177.584 0.045 0.000 1.181 109 A CA 2.709 54.775 52.037 0.048 0.000 0.620 109 A CB -0.231 18.912 19.000 0.238 0.000 0.819 109 A HN -0.777 7.367 8.150 -0.010 0.000 0.442 110 I N -1.755 118.858 120.570 0.072 0.000 2.353 110 I HA -0.394 3.815 4.170 0.065 0.000 0.248 110 I C 1.865 177.935 176.117 -0.079 0.000 1.119 110 I CA 3.511 64.829 61.300 0.031 0.000 1.417 110 I CB -0.005 38.027 38.000 0.054 0.000 1.078 110 I HN -0.414 7.855 8.210 0.098 0.000 0.421 111 R N 0.138 120.515 120.500 -0.206 0.000 2.120 111 R HA -0.306 3.901 4.340 -0.222 0.000 0.234 111 R C 1.837 178.058 176.300 -0.131 0.000 1.123 111 R CA 3.235 59.184 56.100 -0.250 0.000 0.975 111 R CB -0.191 29.826 30.300 -0.473 0.000 0.866 111 R HN -0.247 7.861 8.270 -0.270 0.000 0.446 112 K N -4.320 116.019 120.400 -0.101 0.000 2.458 112 K HA -0.040 4.248 4.320 -0.053 0.000 0.194 112 K C -0.496 176.079 176.600 -0.040 0.000 1.024 112 K CA 0.821 57.072 56.287 -0.060 0.000 1.108 112 K CB -0.183 32.285 32.500 -0.055 0.000 0.846 112 K HN -0.697 7.466 8.250 -0.108 0.022 0.518 113 N N -1.475 117.202 118.700 -0.037 0.000 2.536 113 N HA 0.145 4.872 4.740 -0.023 0.000 0.286 113 N C -2.084 173.416 175.510 -0.017 0.000 1.577 113 N CA -0.557 52.479 53.050 -0.024 0.000 0.883 113 N CB 1.768 40.243 38.487 -0.019 0.000 1.390 113 N HN -0.375 7.799 8.380 -0.045 0.179 0.491 114 I N 0.319 120.878 120.570 -0.019 0.000 2.396 114 I HA 0.145 4.449 4.170 -0.007 -0.137 0.292 114 I C -1.968 174.146 176.117 -0.005 0.000 0.999 114 I CA -0.040 61.254 61.300 -0.010 0.000 1.310 114 I CB 1.511 39.505 38.000 -0.011 0.000 1.404 114 I HN -0.297 7.898 8.210 -0.024 0.000 0.496 115 L N 7.535 128.758 121.223 -0.001 0.000 2.319 115 L HA 0.377 4.717 4.340 -0.000 0.000 0.281 115 L C -2.105 174.767 176.870 0.003 0.000 1.005 115 L CA -1.694 53.145 54.840 -0.000 0.000 0.828 115 L CB 2.266 44.324 42.059 -0.003 0.000 1.227 115 L HN 0.308 8.538 8.230 -0.000 0.000 0.415 116 N N 5.618 124.322 118.700 0.006 0.000 2.479 116 N HA -0.035 4.712 4.740 0.011 0.000 0.257 116 N C 0.018 175.531 175.510 0.004 0.000 1.232 116 N CA 1.014 54.069 53.050 0.009 0.000 0.920 116 N CB 0.637 39.131 38.487 0.013 0.000 1.105 116 N HN 0.412 8.795 8.380 0.006 0.000 0.444 117 Q N 2.158 121.960 119.800 0.003 0.000 2.990 117 Q HA 0.170 4.508 4.340 -0.002 0.000 0.255 117 Q C -0.600 175.400 176.000 -0.000 0.000 1.040 117 Q CA -1.082 54.720 55.803 -0.002 0.000 0.897 117 Q CB 2.765 31.499 28.738 -0.007 0.000 1.429 117 Q HN 0.291 8.563 8.270 0.005 0.000 0.497 118 N N -1.362 117.336 118.700 -0.003 0.000 2.205 118 N HA 0.126 4.867 4.740 0.002 0.000 0.201 118 N C -1.380 174.130 175.510 -0.001 0.000 1.128 118 N CA 0.599 53.648 53.050 -0.001 0.000 0.867 118 N CB 1.133 39.619 38.487 -0.003 0.000 0.996 118 N HN -0.172 8.456 8.380 -0.007 -0.252 0.503 119 R N -1.392 119.105 120.500 -0.004 0.000 2.892 119 R HA 0.400 4.740 4.340 0.001 0.000 0.265 119 R C -1.375 174.921 176.300 -0.006 0.000 1.025 119 R CA -1.249 54.849 56.100 -0.004 0.000 0.982 119 R CB 2.059 32.353 30.300 -0.010 0.000 1.185 119 R HN -0.401 7.865 8.270 -0.008 0.000 0.484 120 E N -0.242 119.957 120.200 -0.002 0.000 2.374 120 E HA 0.068 4.547 4.350 0.003 -0.126 0.260 120 E C 0.104 176.672 176.600 -0.054 0.000 1.101 120 E CA -0.150 56.248 56.400 -0.003 0.000 0.907 120 E CB 1.011 30.729 29.700 0.030 0.000 1.014 120 E HN 0.090 8.452 8.360 0.003 0.000 0.427 121 I N 1.164 121.656 120.570 -0.130 0.000 2.556 121 I HA -0.219 3.820 4.170 -0.220 0.000 0.284 121 I C -0.199 175.740 176.117 -0.297 0.000 1.114 121 I CA 0.820 61.933 61.300 -0.313 0.000 1.418 121 I CB 0.628 38.218 38.000 -0.683 0.000 1.394 121 I HN -0.018 8.127 8.210 -0.108 0.000 0.552 122 D N 8.801 129.093 120.400 -0.181 0.000 2.494 122 D HA 0.038 4.679 4.640 0.000 0.000 0.217 122 D C -0.982 175.298 176.300 -0.033 0.000 1.153 122 D CA -1.767 52.199 54.000 -0.056 0.000 0.954 122 D CB -0.477 40.319 40.800 -0.008 0.000 1.034 122 D HN 0.230 8.512 8.370 -0.146 0.000 0.518 123 Y N 3.101 123.456 120.300 0.092 0.000 2.578 123 Y HA -0.211 4.565 4.550 0.166 -0.126 0.339 123 Y C 0.514 176.507 175.900 0.155 0.000 1.231 123 Y CA 0.652 58.836 58.100 0.139 0.000 1.461 123 Y CB 0.562 39.099 38.460 0.129 0.000 1.323 123 Y HN -0.448 7.946 8.280 0.190 0.000 0.590 124 F N 2.770 122.876 119.950 0.261 0.000 2.462 124 F HA 0.101 4.728 4.527 0.167 0.000 0.360 124 F C -1.499 174.431 175.800 0.216 0.000 1.134 124 F CA 0.139 58.261 58.000 0.204 0.000 1.148 124 F CB 0.437 39.548 39.000 0.186 0.000 1.147 124 F HN 0.132 8.754 8.300 0.536 0.000 0.550 125 V N 8.948 128.831 119.914 -0.052 0.000 2.333 125 V HA 0.180 4.548 4.120 0.159 -0.153 0.274 125 V C -0.183 175.890 176.094 -0.035 0.000 1.028 125 V CA -1.240 61.081 62.300 0.035 0.000 0.851 125 V CB 0.858 32.680 31.823 -0.002 0.000 1.000 125 V HN -0.084 7.936 8.190 -0.283 0.000 0.456 126 V N 9.688 129.694 119.914 0.153 0.000 2.557 126 V HA -0.241 3.995 4.120 0.193 0.000 0.301 126 V C 0.288 176.390 176.094 0.014 0.000 1.026 126 V CA 1.373 63.751 62.300 0.129 0.000 1.137 126 V CB 0.582 32.456 31.823 0.085 0.000 0.917 126 V HN 0.076 8.411 8.190 0.241 0.000 0.484 127 E N 6.265 126.463 120.200 -0.004 0.000 2.307 127 E HA 0.012 4.344 4.350 -0.031 0.000 0.195 127 E C -0.480 176.110 176.600 -0.016 0.000 0.975 127 E CA 0.797 57.182 56.400 -0.025 0.000 0.878 127 E CB 0.680 30.355 29.700 -0.042 0.000 0.845 127 E HN 0.491 8.860 8.360 0.015 0.000 0.488 128 E N -2.103 118.093 120.200 -0.006 0.000 2.430 128 E HA 0.361 4.700 4.350 -0.018 0.000 0.279 128 E C -2.873 173.718 176.600 -0.014 0.000 1.003 128 E CA -3.079 53.314 56.400 -0.011 0.000 0.801 128 E CB 0.581 30.279 29.700 -0.004 0.000 1.313 128 E HN -0.574 7.790 8.360 0.006 0.000 0.459 129 P HA 0.229 4.842 4.420 -0.044 -0.219 0.269 129 P C -1.711 175.585 177.300 -0.007 0.000 1.209 129 P CA -0.183 62.902 63.100 -0.026 0.000 0.776 129 P CB 0.703 32.388 31.700 -0.026 0.000 0.876 130 I N 0.151 120.719 120.570 -0.003 0.000 2.841 130 I HA 0.383 4.565 4.170 0.020 0.000 0.298 130 I C -2.597 173.539 176.117 0.032 0.000 1.304 130 I CA -1.357 59.956 61.300 0.021 0.000 1.019 130 I CB 3.272 41.296 38.000 0.041 0.000 1.282 130 I HN 0.266 8.466 8.210 -0.015 0.000 0.432 131 I N 4.678 125.271 120.570 0.038 0.000 2.569 131 I HA 0.752 5.142 4.170 0.067 -0.179 0.290 131 I C -1.021 175.127 176.117 0.051 0.000 1.088 131 I CA -1.530 59.801 61.300 0.052 0.000 1.047 131 I CB 2.906 40.931 38.000 0.041 0.000 1.237 131 I HN 0.049 8.279 8.210 0.033 0.000 0.421 132 V N 1.142 121.094 119.914 0.063 0.000 2.680 132 V HA 0.576 4.721 4.120 0.042 0.000 0.309 132 V C -2.100 174.027 176.094 0.055 0.000 1.052 132 V CA -2.545 59.786 62.300 0.052 0.000 0.908 132 V CB 2.797 34.650 31.823 0.051 0.000 1.001 132 V HN 0.477 8.713 8.190 0.077 0.000 0.431 133 E N 3.189 123.415 120.200 0.044 0.000 2.367 133 E HA 0.676 5.218 4.350 0.057 -0.158 0.273 133 E C -1.869 174.752 176.600 0.035 0.000 0.903 133 E CA -1.279 55.149 56.400 0.047 0.000 0.764 133 E CB 4.051 33.778 29.700 0.045 0.000 1.252 133 E HN 0.175 8.557 8.360 0.036 0.000 0.446 134 D N 0.637 121.058 120.400 0.036 0.000 2.738 134 D HA 0.094 4.748 4.640 0.023 0.000 0.218 134 D C -1.230 175.087 176.300 0.027 0.000 1.345 134 D CA 0.462 54.477 54.000 0.025 0.000 0.943 134 D CB 2.953 43.762 40.800 0.015 0.000 1.514 134 D HN 0.035 8.431 8.370 0.044 0.000 0.585 135 E N 5.213 125.429 120.200 0.026 0.000 2.210 135 E HA -0.364 4.002 4.350 0.026 0.000 0.201 135 E C -0.595 176.030 176.600 0.041 0.000 1.339 135 E CA 0.848 57.264 56.400 0.027 0.000 0.699 135 E CB -1.875 27.834 29.700 0.016 0.000 1.126 135 E HN 0.767 9.142 8.360 0.025 0.000 0.355 136 G N -5.558 103.280 108.800 0.063 0.000 2.253 136 G HA2 -0.399 3.630 3.960 0.115 0.000 0.251 136 G HA3 -0.399 3.625 3.960 0.106 0.000 0.251 136 G C -0.248 174.756 174.900 0.174 0.000 0.998 136 G CA -0.106 45.061 45.100 0.111 0.000 0.621 136 G HN 0.421 8.746 8.290 0.058 0.000 0.524 137 R N 0.688 121.247 120.500 0.098 0.000 2.459 137 R HA 0.202 4.739 4.340 0.100 -0.136 0.281 137 R C -1.603 174.767 176.300 0.116 0.000 1.050 137 R CA -0.404 55.745 56.100 0.082 0.000 1.055 137 R CB 1.793 32.091 30.300 -0.004 0.000 1.045 137 R HN -0.474 7.746 8.270 0.062 0.087 0.495 138 L N 1.444 122.752 121.223 0.142 0.000 2.472 138 L HA 0.899 5.470 4.340 0.098 -0.172 0.260 138 L C -2.484 174.440 176.870 0.090 0.000 0.963 138 L CA -1.013 53.903 54.840 0.127 0.000 0.829 138 L CB 4.540 46.700 42.059 0.168 0.000 1.348 138 L HN -0.169 8.149 8.230 0.147 0.000 0.408 139 I N 2.377 123.006 120.570 0.098 0.000 2.533 139 I HA 0.747 5.183 4.170 0.096 -0.209 0.290 139 I C -1.588 174.624 176.117 0.158 0.000 1.056 139 I CA -1.354 60.017 61.300 0.117 0.000 1.057 139 I CB 3.803 41.872 38.000 0.116 0.000 1.240 139 I HN 0.543 8.810 8.210 0.096 0.000 0.423 140 K N 4.571 125.090 120.400 0.198 0.000 2.259 140 K HA 0.985 5.562 4.320 0.106 -0.194 0.252 140 K C -1.567 175.089 176.600 0.095 0.000 0.936 140 K CA -2.064 54.310 56.287 0.146 0.000 0.810 140 K CB 3.958 36.553 32.500 0.159 0.000 1.143 140 K HN 0.295 8.690 8.250 0.242 0.000 0.427 141 A N 2.210 125.008 122.820 -0.038 0.000 2.475 141 A HA 1.066 5.314 4.320 -0.477 -0.214 0.301 141 A C -2.314 175.135 177.584 -0.225 0.000 1.059 141 A CA -1.922 49.925 52.037 -0.317 0.000 0.710 141 A CB 4.200 22.946 19.000 -0.424 0.000 1.288 141 A HN 0.550 8.692 8.150 -0.014 0.000 0.408 142 E N -1.064 118.964 120.200 -0.286 0.000 2.433 142 E HA 0.489 4.768 4.350 -0.118 0.000 0.278 142 E C -2.981 173.528 176.600 -0.152 0.000 0.976 142 E CA -3.028 53.279 56.400 -0.156 0.000 0.793 142 E CB 1.514 31.154 29.700 -0.100 0.000 1.311 142 E HN 0.031 8.148 8.360 -0.406 0.000 0.460 143 P HA 0.001 4.520 4.420 -0.047 -0.128 0.269 143 P C -1.174 176.096 177.300 -0.051 0.000 1.209 143 P CA 0.859 63.926 63.100 -0.056 0.000 0.776 143 P CB 0.303 31.981 31.700 -0.037 0.000 0.876 144 S N 1.503 117.185 115.700 -0.030 0.000 2.542 144 S HA 0.109 4.563 4.470 -0.026 0.000 0.276 144 S C -1.208 173.382 174.600 -0.016 0.000 1.148 144 S CA -1.884 56.304 58.200 -0.021 0.000 0.886 144 S CB 1.279 64.473 63.200 -0.010 0.000 1.109 144 S HN -0.445 7.855 8.310 -0.018 0.000 0.458 145 D N 3.034 123.417 120.400 -0.029 0.000 2.312 145 D HA 0.028 4.635 4.640 -0.055 0.000 0.211 145 D C -0.325 175.933 176.300 -0.070 0.000 0.964 145 D CA 1.789 55.759 54.000 -0.050 0.000 0.877 145 D CB 0.246 41.018 40.800 -0.047 0.000 0.924 145 D HN 0.332 8.684 8.370 -0.029 0.000 0.515 146 T N -4.335 110.196 114.554 -0.037 0.000 2.916 146 T HA 0.202 4.653 4.350 -0.058 -0.137 0.292 146 T C -0.867 173.860 174.700 0.045 0.000 1.055 146 T CA -1.985 60.098 62.100 -0.028 0.000 1.009 146 T CB 2.932 71.776 68.868 -0.041 0.000 1.118 146 T HN -0.690 7.497 8.240 -0.022 0.040 0.497 147 L N 3.933 125.211 121.223 0.092 0.000 2.369 147 L HA 0.251 4.926 4.340 0.269 -0.174 0.279 147 L C -1.534 175.466 176.870 0.217 0.000 1.108 147 L CA 0.195 55.164 54.840 0.215 0.000 0.852 147 L CB 0.673 42.872 42.059 0.233 0.000 1.169 147 L HN 0.276 8.875 8.230 0.067 -0.329 0.452 148 E N 6.261 126.620 120.200 0.265 0.000 2.256 148 E HA 0.640 5.269 4.350 0.170 -0.177 0.268 148 E C -1.526 175.295 176.600 0.368 0.000 0.877 148 E CA -1.583 54.950 56.400 0.222 0.000 0.757 148 E CB 3.702 33.458 29.700 0.093 0.000 1.183 148 E HN 0.046 8.596 8.360 0.316 0.000 0.418 149 V N 5.575 125.721 119.914 0.386 0.000 2.569 149 V HA 0.378 4.894 4.120 0.408 -0.152 0.301 149 V C -1.610 174.676 176.094 0.319 0.000 1.044 149 V CA -1.300 61.222 62.300 0.370 0.000 0.874 149 V CB 3.033 35.024 31.823 0.280 0.000 1.002 149 V HN 0.535 8.962 8.190 0.395 0.000 0.424 150 T N 9.071 123.804 114.554 0.298 0.000 2.797 150 T HA 0.777 5.505 4.350 0.271 -0.215 0.279 150 T C -1.877 172.960 174.700 0.228 0.000 0.991 150 T CA -0.613 61.653 62.100 0.278 0.000 0.979 150 T CB 2.200 71.261 68.868 0.320 0.000 0.943 150 T HN 0.533 8.963 8.240 0.318 0.000 0.444 151 Y N 7.664 128.041 120.300 0.129 0.000 2.376 151 Y HA 0.579 5.250 4.550 -0.101 -0.182 0.340 151 Y C -2.767 173.168 175.900 0.058 0.000 0.965 151 Y CA -2.015 56.101 58.100 0.026 0.000 1.078 151 Y CB 4.287 42.792 38.460 0.076 0.000 1.193 151 Y HN 0.493 9.014 8.280 0.402 0.000 0.452 152 E N 8.258 128.233 120.200 -0.375 0.000 2.165 152 E HA 0.722 5.303 4.350 0.102 -0.170 0.266 152 E C -1.707 174.675 176.600 -0.364 0.000 0.889 152 E CA -2.393 53.946 56.400 -0.102 0.000 0.756 152 E CB 4.207 34.002 29.700 0.157 0.000 1.131 152 E HN 0.415 8.286 8.360 -0.816 0.000 0.411 153 G N 3.836 112.546 108.800 -0.149 0.000 2.454 153 G HA2 0.444 4.075 3.960 -0.549 0.000 0.329 153 G HA3 0.444 4.021 3.960 -0.638 0.000 0.329 153 G C -2.419 172.133 174.900 -0.580 0.000 1.177 153 G CA -1.258 43.546 45.100 -0.493 0.000 0.951 153 G HN 0.401 8.701 8.290 0.017 0.000 0.485 154 E N 1.043 120.819 120.200 -0.707 0.000 2.402 154 E HA 0.223 4.412 4.350 -0.269 0.000 0.244 154 E C -1.143 175.226 176.600 -0.385 0.000 0.945 154 E CA -1.391 54.774 56.400 -0.392 0.000 0.774 154 E CB 1.350 30.948 29.700 -0.171 0.000 1.296 154 E HN 0.211 8.112 8.360 -0.765 0.000 0.414 155 F N 3.862 123.821 119.950 0.015 0.000 2.385 155 F HA 0.121 4.630 4.527 -0.029 0.000 0.336 155 F C 0.084 175.851 175.800 -0.054 0.000 1.100 155 F CA -0.671 57.318 58.000 -0.018 0.000 1.116 155 F CB 1.410 40.423 39.000 0.022 0.000 1.166 155 F HN 0.150 8.387 8.300 -0.104 0.000 0.511 156 K N 2.236 122.691 120.400 0.092 0.000 3.173 156 K HA -0.011 4.307 4.320 -0.004 0.000 0.255 156 K C -1.489 175.109 176.600 -0.003 0.000 1.235 156 K CA -0.797 55.489 56.287 -0.002 0.000 1.250 156 K CB -1.619 30.833 32.500 -0.081 0.000 1.382 156 K HN 0.506 8.796 8.250 0.066 0.000 0.421 157 N N -1.733 117.012 118.700 0.076 0.000 3.522 157 N HA 0.047 4.849 4.740 0.104 0.000 0.328 157 N C -0.068 175.478 175.510 0.062 0.000 1.623 157 N CA -0.791 52.320 53.050 0.103 0.000 0.812 157 N CB 0.993 39.615 38.487 0.226 0.000 2.008 157 N HN -0.754 7.599 8.380 0.100 0.087 0.601 158 F N -3.222 116.820 119.950 0.154 0.000 2.373 158 F HA -0.134 4.450 4.527 0.095 0.000 0.300 158 F C 0.443 176.319 175.800 0.127 0.000 1.080 158 F CA 1.738 59.807 58.000 0.114 0.000 1.417 158 F CB -0.453 38.601 39.000 0.090 0.000 1.070 158 F HN -0.375 8.109 8.300 0.306 0.000 0.546 159 L N -1.487 119.477 121.223 -0.432 0.000 2.156 159 L HA -0.243 4.054 4.340 -0.071 0.000 0.208 159 L C 1.331 178.275 176.870 0.123 0.000 1.095 159 L CA 0.588 55.328 54.840 -0.168 0.000 0.770 159 L CB 0.204 42.072 42.059 -0.318 0.000 0.914 159 L HN -0.570 7.461 8.230 -0.707 -0.226 0.439 160 G N -0.883 108.007 108.800 0.149 0.000 2.596 160 G HA2 -0.443 3.698 3.960 0.125 0.000 0.295 160 G HA3 -0.443 3.595 3.960 0.129 0.000 0.295 160 G C -1.577 173.425 174.900 0.170 0.000 1.240 160 G CA 0.384 45.574 45.100 0.150 0.000 0.985 160 G HN -0.630 7.730 8.290 0.117 0.000 0.555 161 R N 2.381 122.954 120.500 0.122 0.000 2.254 161 R HA 0.361 4.917 4.340 0.040 -0.192 0.318 161 R C 0.184 176.572 176.300 0.146 0.000 1.031 161 R CA 0.032 56.191 56.100 0.097 0.000 0.905 161 R CB 0.737 31.093 30.300 0.092 0.000 1.050 161 R HN 0.191 8.529 8.270 0.114 0.000 0.456 162 Q N 3.315 123.212 119.800 0.161 0.000 2.389 162 Q HA 0.431 4.887 4.340 0.194 0.000 0.277 162 Q C -2.016 174.115 176.000 0.218 0.000 1.082 162 Q CA -0.909 55.023 55.803 0.215 0.000 0.810 162 Q CB 4.641 33.563 28.738 0.306 0.000 1.374 162 Q HN 0.129 8.462 8.270 0.106 0.000 0.422 163 K N -0.529 120.011 120.400 0.233 0.000 2.477 163 K HA 1.025 5.713 4.320 0.297 -0.190 0.255 163 K C -1.700 175.095 176.600 0.325 0.000 0.952 163 K CA -1.930 54.517 56.287 0.267 0.000 0.826 163 K CB 3.788 36.422 32.500 0.223 0.000 1.331 163 K HN 0.168 8.548 8.250 0.218 0.000 0.437 164 F N 1.794 121.849 119.950 0.175 0.000 2.596 164 F HA 0.287 4.881 4.527 0.112 0.000 0.311 164 F C -2.594 173.303 175.800 0.162 0.000 1.116 164 F CA -0.130 57.953 58.000 0.139 0.000 0.957 164 F CB 4.320 43.386 39.000 0.111 0.000 1.250 164 F HN 0.257 8.805 8.300 0.414 0.000 0.444 165 T N 8.806 123.009 114.554 -0.586 0.000 2.786 165 T HA 0.424 4.954 4.350 0.009 -0.175 0.283 165 T C -1.570 172.891 174.700 -0.399 0.000 0.992 165 T CA -0.397 61.535 62.100 -0.280 0.000 0.954 165 T CB 0.901 69.659 68.868 -0.183 0.000 0.934 165 T HN 0.058 7.680 8.240 -1.031 0.000 0.440 166 F N 9.428 129.334 119.950 -0.074 0.000 2.394 166 F HA 0.289 4.822 4.527 0.010 0.000 0.340 166 F C -2.214 173.588 175.800 0.004 0.000 1.105 166 F CA -1.015 57.005 58.000 0.033 0.000 1.124 166 F CB 2.549 41.646 39.000 0.161 0.000 1.145 166 F HN 0.525 9.029 8.300 0.340 0.000 0.505 167 V N -0.875 118.429 119.914 -1.016 0.000 3.040 167 V HA 0.660 4.473 4.120 -0.760 -0.149 0.312 167 V C -1.247 174.065 176.094 -1.304 0.000 1.115 167 V CA -3.574 58.163 62.300 -0.939 0.000 0.998 167 V CB 3.748 35.329 31.823 -0.403 0.000 1.042 167 V HN -0.178 7.482 8.190 -0.884 0.000 0.433 168 E N 2.933 122.716 120.200 -0.696 0.000 2.502 168 E HA -0.524 3.851 4.350 -0.192 -0.140 0.261 168 E C 0.644 177.123 176.600 -0.201 0.000 0.974 168 E CA 1.818 58.039 56.400 -0.298 0.000 0.936 168 E CB -0.130 29.525 29.700 -0.077 0.000 0.926 168 E HN 0.022 8.106 8.360 -0.459 0.000 0.459 169 G N 5.175 113.949 108.800 -0.043 0.000 2.232 169 G HA2 -0.337 3.675 3.960 0.059 0.000 0.226 169 G HA3 -0.337 3.608 3.960 -0.025 0.000 0.226 169 G C 0.321 175.243 174.900 0.037 0.000 0.996 169 G CA 0.243 45.349 45.100 0.008 0.000 0.626 169 G HN 0.458 9.214 8.290 0.053 -0.435 0.509 170 N N 0.778 119.472 118.700 -0.009 0.000 2.389 170 N HA 0.278 5.072 4.740 0.089 0.000 0.260 170 N C 0.658 176.353 175.510 0.308 0.000 1.191 170 N CA -1.357 51.743 53.050 0.084 0.000 0.885 170 N CB -0.016 38.459 38.487 -0.020 0.000 1.162 170 N HN -0.239 7.983 8.380 -0.148 0.069 0.512 171 E N 1.577 122.002 120.200 0.375 0.000 2.118 171 E HA -0.354 4.275 4.350 0.465 0.000 0.195 171 E C 1.610 178.240 176.600 0.049 0.000 0.992 171 E CA 3.938 60.533 56.400 0.325 0.000 0.804 171 E CB -0.801 29.075 29.700 0.294 0.000 0.741 171 E HN 0.369 8.854 8.360 0.319 0.066 0.458 172 E N -2.404 117.833 120.200 0.061 0.000 2.409 172 E HA -0.237 4.060 4.350 -0.089 0.000 0.198 172 E C 1.261 177.848 176.600 -0.021 0.000 1.024 172 E CA 1.972 58.377 56.400 0.007 0.000 0.861 172 E CB -0.637 29.135 29.700 0.120 0.000 0.788 172 E HN 0.368 8.795 8.360 0.133 0.013 0.521 173 E N -3.935 116.283 120.200 0.030 0.000 2.435 173 E HA -0.103 4.174 4.350 -0.123 0.000 0.195 173 E C 1.015 177.480 176.600 -0.224 0.000 1.029 173 E CA 1.676 58.050 56.400 -0.044 0.000 0.865 173 E CB 0.852 30.656 29.700 0.174 0.000 0.833 173 E HN -0.435 7.820 8.360 0.109 0.170 0.510 174 I N -7.568 112.915 120.570 -0.145 0.000 4.403 174 I HA 0.246 4.188 4.170 -0.379 0.000 0.331 174 I C 1.082 176.967 176.117 -0.387 0.000 1.327 174 I CA 1.277 62.425 61.300 -0.253 0.000 1.175 174 I CB 1.848 39.793 38.000 -0.092 0.000 1.165 174 I HN -0.513 7.618 8.210 -0.072 0.036 0.413 175 V N -2.078 117.635 119.914 -0.334 0.000 3.380 175 V HA -0.140 3.534 4.120 -0.743 0.000 0.268 175 V C -0.238 175.689 176.094 -0.279 0.000 1.168 175 V CA 2.394 64.442 62.300 -0.419 0.000 1.156 175 V CB -0.221 31.398 31.823 -0.341 0.000 0.785 175 V HN -0.832 7.205 8.190 -0.256 0.000 0.487 176 L N -2.464 118.625 121.223 -0.224 0.000 2.693 176 L HA 0.262 4.517 4.340 -0.142 0.000 0.235 176 L C -0.943 175.863 176.870 -0.107 0.000 1.127 176 L CA -1.005 53.733 54.840 -0.171 0.000 0.914 176 L CB -0.107 41.797 42.059 -0.258 0.000 1.193 176 L HN -0.340 7.714 8.230 -0.219 0.045 0.502 177 A N -0.698 122.029 122.820 -0.156 0.000 2.409 177 A HA 0.078 4.549 4.320 0.049 -0.121 0.267 177 A C -0.724 176.844 177.584 -0.027 0.000 1.127 177 A CA -0.687 51.317 52.037 -0.055 0.000 0.795 177 A CB 0.523 19.448 19.000 -0.125 0.000 1.061 177 A HN -0.699 7.282 8.150 -0.282 0.000 0.502 178 R N 4.296 124.756 120.500 -0.066 0.000 2.500 178 R HA 0.287 4.631 4.340 -0.156 -0.098 0.277 178 R C 0.288 176.280 176.300 -0.515 0.000 1.026 178 R CA -1.121 54.871 56.100 -0.179 0.000 1.058 178 R CB 1.897 32.115 30.300 -0.137 0.000 1.078 178 R HN 0.104 8.663 8.270 -0.063 -0.327 0.509 179 T N -0.302 113.787 114.554 -0.774 0.000 2.906 179 T HA -0.199 3.321 4.350 -1.383 0.000 0.320 179 T C -1.135 173.389 174.700 -0.293 0.000 1.088 179 T CA 1.823 63.445 62.100 -0.796 0.000 1.120 179 T CB 0.928 69.626 68.868 -0.283 0.000 1.000 179 T HN -0.184 7.776 8.240 -0.466 0.000 0.550 180 F N 0.094 119.820 119.950 -0.375 0.000 2.626 180 F HA 1.061 5.533 4.527 -0.354 -0.157 0.311 180 F C -2.445 173.116 175.800 -0.399 0.000 1.088 180 F CA -3.125 54.643 58.000 -0.385 0.000 0.949 180 F CB 3.531 42.258 39.000 -0.455 0.000 1.322 180 F HN -0.146 7.726 8.300 -0.713 0.000 0.461 181 A N -1.526 121.062 122.820 -0.386 0.000 2.606 181 A HA 0.373 4.382 4.320 -0.518 0.000 0.293 181 A C -2.774 174.436 177.584 -0.622 0.000 1.082 181 A CA -0.957 50.794 52.037 -0.477 0.000 0.685 181 A CB 3.576 22.393 19.000 -0.305 0.000 1.284 181 A HN 0.352 8.317 8.150 -0.308 0.000 0.408 182 F N -1.119 118.618 119.950 -0.354 0.000 2.421 182 F HA 0.774 5.250 4.527 -0.421 -0.201 0.337 182 F C 1.717 177.174 175.800 -0.571 0.000 1.105 182 F CA -1.684 55.935 58.000 -0.635 0.000 1.049 182 F CB 2.562 40.711 39.000 -1.417 0.000 1.139 182 F HN 0.559 8.670 8.300 -0.314 0.000 0.479 183 D N 4.405 124.722 120.400 -0.138 0.000 2.182 183 D HA -0.345 4.188 4.640 -0.178 0.000 0.201 183 D C 1.767 178.102 176.300 0.058 0.000 0.986 183 D CA 2.977 56.943 54.000 -0.056 0.000 0.847 183 D CB -0.620 40.224 40.800 0.074 0.000 0.942 183 D HN 0.493 8.872 8.370 0.015 0.000 0.467 184 W N -3.190 118.205 121.300 0.158 0.000 2.937 184 W HA -0.082 4.638 4.660 0.100 0.000 0.245 184 W C -0.130 176.459 176.519 0.116 0.000 1.306 184 W CA 0.475 57.892 57.345 0.119 0.000 1.470 184 W CB -1.058 28.465 29.460 0.105 0.000 1.132 184 W HN -0.086 8.162 8.180 0.144 0.019 0.675 185 E N -1.486 118.600 120.200 -0.190 0.000 2.473 185 E HA 0.116 4.512 4.350 0.077 0.000 0.204 185 E C 0.978 177.582 176.600 0.006 0.000 0.994 185 E CA 0.520 56.884 56.400 -0.059 0.000 0.945 185 E CB 1.182 30.794 29.700 -0.147 0.000 0.990 185 E HN -0.481 7.502 8.360 -0.348 0.168 0.493 186 I N 0.532 121.073 120.570 -0.048 0.000 2.315 186 I HA -0.498 3.619 4.170 -0.087 0.000 0.248 186 I C 0.987 177.090 176.117 -0.023 0.000 1.117 186 I CA 4.378 65.639 61.300 -0.065 0.000 1.404 186 I CB -0.023 37.912 38.000 -0.109 0.000 1.071 186 I HN -0.809 7.360 8.210 -0.069 0.000 0.419 187 E N 0.207 120.423 120.200 0.026 0.000 2.077 187 E HA -0.484 3.871 4.350 0.008 0.000 0.193 187 E C 1.774 178.404 176.600 0.049 0.000 0.989 187 E CA 3.798 60.220 56.400 0.038 0.000 0.800 187 E CB -0.337 29.404 29.700 0.068 0.000 0.746 187 E HN 0.309 8.696 8.360 0.044 0.000 0.452 188 H N -0.103 118.972 119.070 0.008 0.000 2.321 188 H HA -0.211 4.357 4.556 0.020 0.000 0.300 188 H C 2.137 177.448 175.328 -0.028 0.000 1.087 188 H CA 3.081 59.137 56.048 0.012 0.000 1.319 188 H CB -0.226 29.565 29.762 0.048 0.000 1.379 188 H HN -0.599 7.809 8.280 0.213 0.000 0.501 189 I N -0.917 119.571 120.570 -0.137 0.000 2.208 189 I HA -0.577 3.346 4.170 -0.412 0.000 0.245 189 I C 1.901 177.874 176.117 -0.241 0.000 1.097 189 I CA 4.224 65.348 61.300 -0.292 0.000 1.363 189 I CB -0.263 37.566 38.000 -0.285 0.000 1.051 189 I HN -0.516 7.696 8.210 0.004 0.000 0.413 190 K N -0.948 119.363 120.400 -0.149 0.000 2.097 190 K HA -0.161 4.327 4.320 -0.103 -0.229 0.205 190 K C 3.152 179.683 176.600 -0.115 0.000 1.050 190 K CA 2.793 59.015 56.287 -0.108 0.000 0.938 190 K CB -0.219 32.240 32.500 -0.070 0.000 0.718 190 K HN -0.315 7.865 8.250 -0.116 0.000 0.442 191 K N 0.338 120.659 120.400 -0.131 0.000 2.211 191 K HA -0.186 4.091 4.320 -0.072 0.000 0.203 191 K C 1.453 177.966 176.600 -0.145 0.000 1.050 191 K CA 2.548 58.769 56.287 -0.110 0.000 0.945 191 K CB 0.218 32.673 32.500 -0.074 0.000 0.732 191 K HN -0.465 7.615 8.250 -0.135 0.089 0.451 192 V N -7.096 112.674 119.914 -0.239 0.000 3.421 192 V HA 0.075 4.113 4.120 -0.137 0.000 0.316 192 V C -0.183 175.831 176.094 -0.133 0.000 1.347 192 V CA -1.036 61.147 62.300 -0.195 0.000 1.183 192 V CB -0.252 31.405 31.823 -0.276 0.000 1.092 192 V HN -0.626 7.354 8.190 -0.312 0.023 0.433 193 G N -0.318 108.409 108.800 -0.122 0.000 2.131 193 G HA2 -0.233 3.679 3.960 -0.079 0.000 0.223 193 G HA3 -0.233 3.673 3.960 -0.091 0.000 0.223 193 G C -0.876 173.964 174.900 -0.099 0.000 0.990 193 G CA 0.125 45.168 45.100 -0.095 0.000 0.671 193 G HN -0.523 7.519 8.290 -0.126 0.172 0.521 194 L N -2.206 118.951 121.223 -0.110 0.000 2.211 194 L HA 0.169 4.490 4.340 -0.032 0.000 0.259 194 L C 0.486 177.372 176.870 0.028 0.000 1.031 194 L CA -1.763 53.041 54.840 -0.060 0.000 0.877 194 L CB 2.119 44.052 42.059 -0.210 0.000 1.457 194 L HN -0.708 7.444 8.230 -0.131 0.000 0.466 195 G N -2.604 106.340 108.800 0.240 0.000 2.187 195 G HA2 -0.472 3.565 3.960 -0.026 0.000 0.261 195 G HA3 -0.472 3.477 3.960 -0.017 0.000 0.261 195 G C 0.906 175.780 174.900 -0.042 0.000 1.000 195 G CA 1.410 46.531 45.100 0.034 0.000 0.718 195 G HN 0.276 8.989 8.290 0.704 0.000 0.519 196 K N 0.793 121.179 120.400 -0.022 0.000 2.211 196 K HA -0.192 4.105 4.320 -0.039 0.000 0.203 196 K C 1.065 177.636 176.600 -0.048 0.000 1.050 196 K CA 1.807 58.073 56.287 -0.035 0.000 0.945 196 K CB 0.019 32.505 32.500 -0.023 0.000 0.732 196 K HN -0.403 7.734 8.250 0.009 0.119 0.451 197 G N -2.872 105.886 108.800 -0.069 0.000 3.126 197 G HA2 0.212 4.142 3.960 -0.051 0.000 0.224 197 G HA3 0.212 4.329 3.960 -0.078 -0.204 0.224 197 G C -0.088 174.755 174.900 -0.095 0.000 1.142 197 G CA -0.759 44.297 45.100 -0.074 0.000 0.759 197 G HN -0.411 7.698 8.290 -0.084 0.131 0.550 198 G N 0.919 109.650 108.800 -0.116 0.000 2.406 198 G HA2 0.017 4.061 3.960 -0.138 0.000 0.251 198 G HA3 0.017 3.892 3.960 -0.141 0.000 0.251 198 G C -1.727 173.114 174.900 -0.098 0.000 1.271 198 G CA 0.082 45.106 45.100 -0.127 0.000 0.859 198 G HN -0.702 7.361 8.290 -0.114 0.158 0.540 199 S N 1.585 117.230 115.700 -0.092 0.000 2.643 199 S HA 0.286 4.710 4.470 -0.077 0.000 0.270 199 S C 0.805 175.362 174.600 -0.071 0.000 1.166 199 S CA -1.444 56.712 58.200 -0.073 0.000 0.815 199 S CB 2.839 66.009 63.200 -0.050 0.000 1.139 199 S HN -0.128 8.398 8.310 -0.098 -0.275 0.472 200 L N -1.496 119.696 121.223 -0.052 0.000 2.549 200 L HA -0.076 4.380 4.340 -0.048 -0.145 0.229 200 L C 0.549 177.396 176.870 -0.037 0.000 1.158 200 L CA 1.665 56.482 54.840 -0.039 0.000 0.842 200 L CB -0.383 41.671 42.059 -0.008 0.000 0.952 200 L HN 0.496 8.700 8.230 -0.044 0.000 0.452 201 K N -3.934 116.444 120.400 -0.037 0.000 2.365 201 K HA -0.024 4.278 4.320 -0.030 0.000 0.197 201 K C 0.326 176.900 176.600 -0.043 0.000 1.042 201 K CA 0.879 57.146 56.287 -0.033 0.000 0.987 201 K CB 0.312 32.798 32.500 -0.023 0.000 0.779 201 K HN -0.214 7.959 8.250 -0.038 0.054 0.484 202 N N -5.309 113.357 118.700 -0.056 0.000 2.082 202 N HA 0.177 4.951 4.740 -0.053 -0.065 0.228 202 N C -1.177 174.285 175.510 -0.080 0.000 1.341 202 N CA -0.695 52.318 53.050 -0.061 0.000 0.873 202 N CB 2.166 40.617 38.487 -0.059 0.000 1.137 202 N HN -0.476 7.834 8.380 -0.062 0.033 0.505 203 T N 1.880 116.379 114.554 -0.092 0.000 2.921 203 T HA 0.318 4.730 4.350 -0.128 -0.139 0.297 203 T C -2.162 172.477 174.700 -0.102 0.000 1.013 203 T CA 0.301 62.330 62.100 -0.117 0.000 0.990 203 T CB 3.290 72.072 68.868 -0.143 0.000 1.023 203 T HN -0.511 7.679 8.240 -0.083 0.000 0.447 204 L N 7.542 128.705 121.223 -0.100 0.000 2.407 204 L HA 0.155 4.612 4.340 -0.064 -0.155 0.282 204 L C -2.251 174.559 176.870 -0.100 0.000 1.110 204 L CA -0.373 54.419 54.840 -0.081 0.000 0.863 204 L CB 0.632 42.640 42.059 -0.085 0.000 1.207 204 L HN 0.265 8.431 8.230 -0.106 0.000 0.454 205 V N 8.037 127.909 119.914 -0.071 0.000 2.370 205 V HA 0.488 4.688 4.120 -0.192 -0.196 0.283 205 V C -1.327 174.811 176.094 0.073 0.000 1.023 205 V CA -1.057 61.176 62.300 -0.112 0.000 0.857 205 V CB 1.110 32.800 31.823 -0.221 0.000 0.985 205 V HN 0.428 8.914 8.190 -0.028 -0.313 0.443 206 L N 5.898 127.136 121.223 0.025 0.000 2.362 206 L HA 0.692 5.371 4.340 0.382 -0.111 0.271 206 L C -0.715 176.430 176.870 0.458 0.000 1.002 206 L CA -1.880 53.115 54.840 0.259 0.000 0.818 206 L CB 3.113 45.220 42.059 0.079 0.000 1.298 206 L HN 0.385 8.528 8.230 -0.145 0.000 0.420 207 G N -0.564 108.612 108.800 0.627 0.000 2.753 207 G HA2 0.363 4.950 3.960 0.729 0.000 0.285 207 G HA3 0.363 4.682 3.960 0.597 0.000 0.285 207 G C -0.334 174.983 174.900 0.695 0.000 1.344 207 G CA -1.473 44.032 45.100 0.674 0.000 1.050 207 G HN 0.300 8.943 8.290 0.588 0.000 0.532 208 K N -1.952 118.789 120.400 0.569 0.000 2.097 208 K HA -0.190 4.376 4.320 0.411 0.000 0.206 208 K C 0.347 177.215 176.600 0.448 0.000 1.049 208 K CA 3.121 59.646 56.287 0.396 0.000 0.933 208 K CB 0.276 32.871 32.500 0.159 0.000 0.717 208 K HN 0.416 8.969 8.250 0.505 0.000 0.442 209 D N -6.354 114.259 120.400 0.356 0.000 2.520 209 D HA 0.130 4.944 4.640 0.290 0.000 0.223 209 D C -0.827 175.449 176.300 -0.040 0.000 1.186 209 D CA 0.275 54.397 54.000 0.203 0.000 0.821 209 D CB 1.999 42.848 40.800 0.081 0.000 1.072 209 D HN 0.083 8.617 8.370 0.301 0.017 0.518 210 K N -1.963 118.476 120.400 0.065 0.000 2.522 210 K HA 0.293 4.428 4.320 -0.308 0.000 0.275 210 K C -2.287 174.348 176.600 0.058 0.000 1.006 210 K CA -1.044 55.171 56.287 -0.121 0.000 0.890 210 K CB 2.926 35.325 32.500 -0.169 0.000 1.475 210 K HN -0.590 7.829 8.250 0.282 0.000 0.441 211 V N 0.174 120.061 119.914 -0.045 0.000 2.417 211 V HA 0.129 4.383 4.120 0.223 0.000 0.291 211 V C -0.972 175.130 176.094 0.012 0.000 1.024 211 V CA -0.378 61.972 62.300 0.083 0.000 0.861 211 V CB 1.389 33.241 31.823 0.048 0.000 0.985 211 V HN 0.208 8.314 8.190 -0.140 0.000 0.436 212 Y N 5.654 125.967 120.300 0.021 0.000 2.286 212 Y HA -0.274 4.281 4.550 0.008 0.000 0.293 212 Y C 0.317 176.208 175.900 -0.016 0.000 1.124 212 Y CA 2.824 60.926 58.100 0.004 0.000 1.178 212 Y CB 0.440 38.903 38.460 0.006 0.000 1.010 212 Y HN 0.140 8.691 8.280 0.451 0.000 0.536 213 N N -0.745 118.032 118.700 0.129 0.000 2.440 213 N HA -0.016 4.753 4.740 0.048 0.000 0.265 213 N C -0.990 174.526 175.510 0.009 0.000 1.239 213 N CA 0.086 53.164 53.050 0.046 0.000 0.909 213 N CB -0.545 37.947 38.487 0.009 0.000 1.066 213 N HN -0.250 8.214 8.380 0.140 0.000 0.474 214 P HA -0.198 4.208 4.420 -0.024 0.000 0.218 214 P C -0.132 177.148 177.300 -0.034 0.000 1.148 214 P CA 1.845 64.933 63.100 -0.019 0.000 0.822 214 P CB -0.162 31.529 31.700 -0.015 0.000 0.784 215 E N -2.965 117.212 120.200 -0.038 0.000 2.427 215 E HA -0.165 4.152 4.350 -0.055 0.000 0.196 215 E C 0.862 177.422 176.600 -0.067 0.000 1.028 215 E CA -0.285 56.082 56.400 -0.055 0.000 0.864 215 E CB -0.810 28.852 29.700 -0.063 0.000 0.813 215 E HN 0.041 8.360 8.360 -0.033 0.022 0.514 216 G N 0.907 109.675 108.800 -0.054 0.000 2.698 216 G HA2 -0.381 3.556 3.960 -0.038 0.000 0.233 216 G HA3 -0.381 3.542 3.960 -0.061 0.000 0.233 216 G C -1.831 173.026 174.900 -0.071 0.000 1.352 216 G CA -0.318 44.749 45.100 -0.054 0.000 0.879 216 G HN -0.520 7.579 8.290 -0.041 0.166 0.567 217 L N -1.001 120.181 121.223 -0.067 0.000 2.371 217 L HA 0.148 4.538 4.340 -0.096 -0.107 0.272 217 L C 1.489 178.254 176.870 -0.175 0.000 1.124 217 L CA 0.334 55.119 54.840 -0.092 0.000 0.816 217 L CB 0.436 42.470 42.059 -0.041 0.000 1.129 217 L HN 0.084 8.285 8.230 -0.050 0.000 0.448 218 R N 2.573 122.913 120.500 -0.266 0.000 2.148 218 R HA -0.153 3.892 4.340 -0.492 0.000 0.223 218 R C 0.071 175.859 176.300 -0.854 0.000 1.088 218 R CA 1.957 57.716 56.100 -0.569 0.000 0.985 218 R CB 0.748 30.646 30.300 -0.669 0.000 0.880 218 R HN 0.334 8.792 8.270 -0.217 -0.318 0.451 219 Y N -5.227 115.008 120.300 -0.109 0.000 2.544 219 Y HA 0.081 4.592 4.550 -0.065 0.000 0.342 219 Y C -0.355 175.506 175.900 -0.065 0.000 1.062 219 Y CA -2.765 55.283 58.100 -0.087 0.000 1.023 219 Y CB 2.889 41.278 38.460 -0.118 0.000 1.308 219 Y HN -0.742 7.469 8.280 -0.114 0.000 0.457 220 E N 1.935 122.211 120.200 0.127 0.000 2.209 220 E HA -0.339 4.059 4.350 0.079 0.000 0.196 220 E C -0.633 176.010 176.600 0.072 0.000 0.993 220 E CA 2.780 59.236 56.400 0.093 0.000 0.819 220 E CB -0.353 29.408 29.700 0.102 0.000 0.745 220 E HN 0.538 8.983 8.360 0.142 0.000 0.477 221 N N -4.652 114.092 118.700 0.074 0.000 2.389 221 N HA 0.109 5.031 4.740 0.017 -0.172 0.260 221 N C 0.094 175.554 175.510 -0.083 0.000 1.191 221 N CA -1.605 51.458 53.050 0.022 0.000 0.885 221 N CB -1.172 37.370 38.487 0.092 0.000 1.162 221 N HN -0.427 7.993 8.380 0.106 0.024 0.512 222 E N 2.463 122.629 120.200 -0.057 0.000 2.097 222 E HA -0.369 3.959 4.350 -0.038 0.000 0.196 222 E C -0.383 176.095 176.600 -0.204 0.000 1.000 222 E CA 5.210 61.568 56.400 -0.071 0.000 0.804 222 E CB -1.497 28.195 29.700 -0.014 0.000 0.740 222 E HN -0.408 7.805 8.360 -0.011 0.140 0.454 223 P HA -0.192 3.703 4.420 -0.875 0.000 0.216 223 P C 1.239 178.408 177.300 -0.218 0.000 1.153 223 P CA 3.197 65.832 63.100 -0.775 0.000 0.848 223 P CB -0.182 30.600 31.700 -1.530 0.000 0.787 224 V N -5.502 114.391 119.914 -0.036 0.000 2.667 224 V HA -0.449 3.707 4.120 0.060 0.000 0.252 224 V C 1.523 177.596 176.094 -0.035 0.000 1.065 224 V CA 3.216 65.575 62.300 0.098 0.000 1.083 224 V CB -0.571 31.453 31.823 0.334 0.000 0.692 224 V HN -0.902 7.269 8.190 -0.031 0.000 0.468 225 R N -0.452 119.904 120.500 -0.241 0.000 2.091 225 R HA -0.474 3.517 4.340 -0.581 0.000 0.238 225 R C 2.098 178.294 176.300 -0.173 0.000 1.136 225 R CA 4.205 60.026 56.100 -0.466 0.000 0.959 225 R CB -0.249 29.591 30.300 -0.766 0.000 0.856 225 R HN -0.596 7.513 8.270 -0.269 0.000 0.437 226 H N -0.179 118.813 119.070 -0.129 0.000 2.389 226 H HA -0.240 4.318 4.556 0.003 0.000 0.299 226 H C 2.034 177.403 175.328 0.067 0.000 1.081 226 H CA 3.580 59.641 56.048 0.021 0.000 1.345 226 H CB 0.056 29.897 29.762 0.132 0.000 1.393 226 H HN -0.146 8.157 8.280 0.037 0.000 0.520 227 K N -1.460 118.914 120.400 -0.044 0.000 2.097 227 K HA -0.257 3.914 4.320 -0.248 0.000 0.206 227 K C 2.464 178.888 176.600 -0.293 0.000 1.049 227 K CA 2.665 58.731 56.287 -0.368 0.000 0.933 227 K CB -0.463 31.323 32.500 -1.191 0.000 0.717 227 K HN -0.463 7.787 8.250 -0.000 0.000 0.442 228 V N 0.142 119.983 119.914 -0.121 0.000 2.295 228 V HA -0.509 3.653 4.120 0.070 0.000 0.246 228 V C 1.537 177.599 176.094 -0.054 0.000 1.049 228 V CA 4.130 66.446 62.300 0.027 0.000 1.024 228 V CB -0.138 31.802 31.823 0.194 0.000 0.648 228 V HN -0.420 7.712 8.190 -0.096 0.000 0.447 229 F N 1.109 120.906 119.950 -0.255 0.000 2.095 229 F HA -0.403 3.946 4.527 -0.297 0.000 0.298 229 F C 1.483 177.137 175.800 -0.242 0.000 1.104 229 F CA 3.129 60.945 58.000 -0.306 0.000 1.232 229 F CB -0.002 38.762 39.000 -0.393 0.000 0.987 229 F HN -0.442 7.878 8.300 0.033 0.000 0.475 230 D N -0.957 119.284 120.400 -0.266 0.000 2.104 230 D HA -0.355 4.203 4.640 -0.137 0.000 0.194 230 D C 2.285 178.512 176.300 -0.121 0.000 0.994 230 D CA 3.656 57.561 54.000 -0.159 0.000 0.830 230 D CB -0.324 40.436 40.800 -0.067 0.000 0.959 230 D HN -0.066 8.164 8.370 -0.234 0.000 0.452 231 L N 0.168 121.318 121.223 -0.121 0.000 2.083 231 L HA -0.231 4.076 4.340 -0.055 0.000 0.209 231 L C 1.393 178.175 176.870 -0.147 0.000 1.083 231 L CA 2.836 57.621 54.840 -0.092 0.000 0.752 231 L CB -0.279 41.753 42.059 -0.045 0.000 0.899 231 L HN -0.559 7.595 8.230 -0.127 0.000 0.433 232 I N -2.097 118.347 120.570 -0.210 0.000 2.361 232 I HA -0.536 3.505 4.170 -0.215 0.000 0.251 232 I C 1.870 177.947 176.117 -0.065 0.000 1.133 232 I CA 4.307 65.471 61.300 -0.227 0.000 1.413 232 I CB -0.757 37.000 38.000 -0.404 0.000 1.073 232 I HN -0.216 7.856 8.210 -0.230 0.000 0.424 233 G N -0.361 108.336 108.800 -0.172 0.000 2.404 233 G HA2 -0.365 3.648 3.960 -0.008 0.000 0.215 233 G HA3 -0.365 3.698 3.960 -0.147 -0.191 0.215 233 G C 1.564 176.483 174.900 0.031 0.000 1.174 233 G CA 2.086 47.142 45.100 -0.073 0.000 0.780 233 G HN -0.371 7.664 8.290 -0.288 0.083 0.537 234 D N 3.284 123.691 120.400 0.012 0.000 2.144 234 D HA -0.137 4.528 4.640 0.042 0.000 0.200 234 D C 2.689 178.997 176.300 0.015 0.000 0.978 234 D CA 2.885 56.905 54.000 0.034 0.000 0.833 234 D CB -0.400 40.439 40.800 0.065 0.000 0.961 234 D HN -0.363 8.001 8.370 -0.009 0.000 0.470 235 L N -1.008 120.206 121.223 -0.016 0.000 2.191 235 L HA -0.329 3.957 4.340 -0.090 0.000 0.212 235 L C 1.583 178.455 176.870 0.004 0.000 1.103 235 L CA 2.444 57.255 54.840 -0.049 0.000 0.769 235 L CB -0.246 41.739 42.059 -0.123 0.000 0.908 235 L HN 0.086 8.296 8.230 -0.032 0.000 0.438 236 Y N -0.444 119.763 120.300 -0.156 0.000 2.574 236 Y HA -0.136 4.104 4.550 -0.516 0.000 0.294 236 Y C 1.686 177.493 175.900 -0.156 0.000 1.142 236 Y CA -0.846 57.063 58.100 -0.319 0.000 1.314 236 Y CB -0.813 37.462 38.460 -0.309 0.000 0.991 236 Y HN -0.658 7.591 8.280 0.158 0.126 0.555 237 L N -1.265 119.983 121.223 0.042 0.000 2.549 237 L HA -0.218 4.304 4.340 -0.007 -0.186 0.229 237 L C 1.144 178.051 176.870 0.062 0.000 1.158 237 L CA 1.163 56.022 54.840 0.032 0.000 0.842 237 L CB -0.959 41.145 42.059 0.074 0.000 0.952 237 L HN -0.378 7.728 8.230 0.052 0.155 0.452 238 L N -3.257 117.960 121.223 -0.010 0.000 2.376 238 L HA -0.322 4.001 4.340 -0.027 0.000 0.219 238 L C 0.739 177.631 176.870 0.036 0.000 1.133 238 L CA 1.650 56.441 54.840 -0.082 0.000 0.816 238 L CB 0.217 42.014 42.059 -0.437 0.000 0.933 238 L HN -0.460 7.700 8.230 -0.031 0.052 0.449 239 G N -3.752 105.063 108.800 0.025 0.000 2.176 239 G HA2 -0.360 3.526 3.960 -0.122 0.000 0.232 239 G HA3 -0.360 3.615 3.960 0.025 0.000 0.232 239 G C -0.809 174.131 174.900 0.066 0.000 0.986 239 G CA 0.142 45.236 45.100 -0.010 0.000 0.643 239 G HN -0.121 8.031 8.290 0.006 0.142 0.522 240 S N -0.347 115.483 115.700 0.217 0.000 2.556 240 S HA 0.364 5.006 4.470 0.288 0.000 0.271 240 S C -2.426 172.332 174.600 0.263 0.000 1.135 240 S CA -2.015 56.351 58.200 0.277 0.000 0.858 240 S CB 2.007 65.338 63.200 0.218 0.000 1.114 240 S HN -0.376 8.008 8.310 0.217 0.055 0.468 241 P HA -0.067 4.073 4.420 -0.467 0.000 0.267 241 P C -1.271 176.289 177.300 0.434 0.000 1.200 241 P CA 0.026 63.154 63.100 0.046 0.000 0.772 241 P CB 0.509 32.321 31.700 0.186 0.000 0.855 242 V N 1.278 121.541 119.914 0.580 0.000 2.513 242 V HA 0.349 4.974 4.120 0.542 -0.180 0.299 242 V C -0.363 175.985 176.094 0.424 0.000 1.035 242 V CA -1.556 61.055 62.300 0.518 0.000 0.889 242 V CB 2.410 34.504 31.823 0.451 0.000 0.988 242 V HN -0.187 8.564 8.190 0.935 0.000 0.440 243 K N 5.589 126.203 120.400 0.357 0.000 2.394 243 K HA 0.399 4.827 4.320 0.179 0.000 0.260 243 K C -1.175 175.572 176.600 0.245 0.000 0.967 243 K CA -2.376 54.032 56.287 0.202 0.000 0.855 243 K CB 1.178 33.691 32.500 0.022 0.000 1.101 243 K HN 0.389 8.879 8.250 0.400 0.000 0.433 244 G N 0.557 109.507 108.800 0.250 0.000 2.355 244 G HA2 0.103 4.130 3.960 -0.014 0.000 0.296 244 G HA3 0.103 4.055 3.960 -0.013 0.000 0.296 244 G C -3.141 171.778 174.900 0.032 0.000 1.507 244 G CA 0.533 45.670 45.100 0.062 0.000 0.823 244 G HN -0.105 8.347 8.290 0.271 0.000 0.569 245 K N 1.436 121.705 120.400 -0.217 0.000 2.307 245 K HA 0.880 5.662 4.320 0.127 -0.386 0.263 245 K C -1.832 174.619 176.600 -0.248 0.000 0.973 245 K CA -2.071 54.174 56.287 -0.070 0.000 0.846 245 K CB 2.688 35.165 32.500 -0.037 0.000 1.100 245 K HN 0.158 8.230 8.250 -0.296 0.000 0.438 246 F N 4.879 124.910 119.950 0.134 0.000 2.508 246 F HA 0.661 5.464 4.527 0.144 -0.190 0.325 246 F C -1.281 174.639 175.800 0.201 0.000 1.090 246 F CA -2.039 56.050 58.000 0.149 0.000 0.945 246 F CB 4.048 43.126 39.000 0.130 0.000 1.156 246 F HN 0.596 9.165 8.300 0.449 0.000 0.463 247 Y N 4.241 124.674 120.300 0.221 0.000 2.346 247 Y HA 0.536 5.366 4.550 0.167 -0.180 0.332 247 Y C -2.549 173.431 175.900 0.134 0.000 0.985 247 Y CA -1.630 56.561 58.100 0.151 0.000 1.112 247 Y CB 3.262 41.768 38.460 0.077 0.000 1.170 247 Y HN 0.409 8.915 8.280 0.377 0.000 0.447 248 S N 8.704 124.068 115.700 -0.560 0.000 2.498 248 S HA 0.599 5.035 4.470 -0.318 -0.156 0.317 248 S C -2.088 171.946 174.600 -0.943 0.000 1.090 248 S CA -2.398 55.492 58.200 -0.518 0.000 1.089 248 S CB 2.022 65.118 63.200 -0.173 0.000 0.997 248 S HN 0.576 8.582 8.310 -0.507 0.000 0.470 249 F N 8.827 128.311 119.950 -0.777 0.000 2.332 249 F HA 0.557 4.799 4.527 -0.730 -0.154 0.368 249 F C -0.673 174.869 175.800 -0.430 0.000 1.110 249 F CA -1.793 55.854 58.000 -0.589 0.000 1.087 249 F CB 1.337 40.213 39.000 -0.208 0.000 1.235 249 F HN 0.668 8.809 8.300 -0.265 0.000 0.470 250 R N 0.876 120.755 120.500 -1.034 0.000 3.875 250 R HA -0.471 3.593 4.340 -0.460 0.000 0.321 250 R C -0.614 175.560 176.300 -0.211 0.000 1.196 250 R CA 1.024 56.749 56.100 -0.624 0.000 0.868 250 R CB -3.025 26.823 30.300 -0.754 0.000 1.333 250 R HN 0.472 7.986 8.270 -1.260 0.000 0.522 251 G N -2.455 106.254 108.800 -0.150 0.000 2.636 251 G HA2 -0.043 3.911 3.960 -0.011 0.000 0.246 251 G HA3 -0.043 3.953 3.960 0.060 0.000 0.246 251 G C -1.600 173.377 174.900 0.127 0.000 1.216 251 G CA 0.137 45.262 45.100 0.041 0.000 0.854 251 G HN -0.695 7.339 8.290 -0.377 0.030 0.572 252 G N -1.862 106.941 108.800 0.005 0.000 2.921 252 G HA2 0.254 4.101 3.960 -0.190 0.000 0.291 252 G HA3 0.254 4.142 3.960 -0.120 0.000 0.291 252 G C -0.005 174.814 174.900 -0.135 0.000 1.370 252 G CA -1.036 43.990 45.100 -0.123 0.000 0.847 252 G HN -0.666 7.623 8.290 -0.003 0.000 0.532 253 H N -0.243 118.818 119.070 -0.014 0.000 2.387 253 H HA 0.014 4.730 4.556 -0.014 -0.168 0.299 253 H C 2.715 178.022 175.328 -0.035 0.000 1.099 253 H CA 3.368 59.401 56.048 -0.025 0.000 1.315 253 H CB -0.094 29.647 29.762 -0.035 0.000 1.380 253 H HN 0.473 8.525 8.280 -0.379 0.000 0.513 254 S N -0.316 115.416 115.700 0.054 0.000 2.356 254 S HA -0.271 4.202 4.470 0.004 0.000 0.223 254 S C 1.996 176.601 174.600 0.010 0.000 1.032 254 S CA 3.678 61.882 58.200 0.007 0.000 1.005 254 S CB -0.825 62.357 63.200 -0.031 0.000 0.867 254 S HN 0.246 8.574 8.310 0.030 0.000 0.449 255 L N 2.123 123.351 121.223 0.008 0.000 2.109 255 L HA -0.194 4.154 4.340 0.013 0.000 0.207 255 L C 1.067 177.953 176.870 0.026 0.000 1.086 255 L CA 2.453 57.302 54.840 0.015 0.000 0.760 255 L CB -0.324 41.744 42.059 0.015 0.000 0.910 255 L HN -0.540 7.690 8.230 0.001 0.000 0.437 256 N N 0.014 118.732 118.700 0.030 0.000 2.069 256 N HA -0.349 4.410 4.740 0.033 0.000 0.191 256 N C 2.721 178.244 175.510 0.021 0.000 1.031 256 N CA 3.263 56.332 53.050 0.031 0.000 0.852 256 N CB -0.463 38.048 38.487 0.039 0.000 1.018 256 N HN -0.160 8.236 8.380 0.027 0.000 0.423 257 V N 0.661 120.591 119.914 0.027 0.000 2.548 257 V HA -0.487 3.636 4.120 0.006 0.000 0.249 257 V C 1.339 177.424 176.094 -0.015 0.000 1.055 257 V CA 4.299 66.606 62.300 0.011 0.000 1.065 257 V CB -0.247 31.591 31.823 0.026 0.000 0.681 257 V HN 0.021 8.234 8.190 0.040 0.000 0.462 258 K N 0.604 121.001 120.400 -0.004 0.000 2.032 258 K HA -0.342 3.966 4.320 -0.019 0.000 0.209 258 K C 2.226 178.818 176.600 -0.014 0.000 1.048 258 K CA 3.507 59.788 56.287 -0.010 0.000 0.927 258 K CB -0.111 32.391 32.500 0.003 0.000 0.712 258 K HN -0.650 7.603 8.250 0.005 0.000 0.441 259 L N -0.458 120.770 121.223 0.009 0.000 2.017 259 L HA -0.339 4.025 4.340 0.039 0.000 0.208 259 L C 1.384 178.249 176.870 -0.009 0.000 1.073 259 L CA 3.109 57.968 54.840 0.032 0.000 0.745 259 L CB -0.254 41.857 42.059 0.086 0.000 0.894 259 L HN -0.453 7.788 8.230 0.019 0.000 0.432 260 V N -0.587 119.295 119.914 -0.053 0.000 2.332 260 V HA -0.699 3.336 4.120 -0.142 0.000 0.248 260 V C 1.859 177.785 176.094 -0.281 0.000 1.055 260 V CA 4.884 67.096 62.300 -0.147 0.000 1.038 260 V CB -0.402 31.347 31.823 -0.124 0.000 0.651 260 V HN -0.263 7.905 8.190 -0.037 0.000 0.450 261 K N -1.097 119.133 120.400 -0.283 0.000 2.097 261 K HA -0.353 3.518 4.320 -0.748 0.000 0.205 261 K C 2.500 178.983 176.600 -0.195 0.000 1.050 261 K CA 3.723 59.779 56.287 -0.385 0.000 0.938 261 K CB -0.360 32.013 32.500 -0.211 0.000 0.718 261 K HN -0.258 7.879 8.250 -0.189 0.000 0.442 262 E N -0.063 120.083 120.200 -0.090 0.000 2.072 262 E HA -0.288 4.051 4.350 -0.018 0.000 0.191 262 E C 2.594 179.204 176.600 0.017 0.000 0.985 262 E CA 2.988 59.376 56.400 -0.021 0.000 0.801 262 E CB -0.041 29.663 29.700 0.008 0.000 0.750 262 E HN -0.624 7.690 8.360 -0.077 0.000 0.452 263 L N -1.094 120.144 121.223 0.024 0.000 2.046 263 L HA -0.343 4.108 4.340 0.185 0.000 0.208 263 L C 2.019 179.018 176.870 0.215 0.000 1.077 263 L CA 2.894 57.817 54.840 0.139 0.000 0.747 263 L CB -0.245 41.880 42.059 0.110 0.000 0.896 263 L HN -0.185 8.039 8.230 -0.011 0.000 0.432 264 A N -2.126 120.710 122.820 0.027 0.000 1.902 264 A HA -0.412 4.088 4.320 0.300 0.000 0.217 264 A C 1.141 178.809 177.584 0.141 0.000 1.181 264 A CA 3.041 55.145 52.037 0.111 0.000 0.623 264 A CB -0.629 18.320 19.000 -0.083 0.000 0.818 264 A HN -0.117 7.961 8.150 -0.121 0.000 0.443 265 K N -2.044 118.391 120.400 0.057 0.000 2.057 265 K HA -0.313 4.051 4.320 0.073 0.000 0.207 265 K C 3.007 179.655 176.600 0.079 0.000 1.049 265 K CA 2.927 59.251 56.287 0.063 0.000 0.931 265 K CB -0.241 32.276 32.500 0.029 0.000 0.714 265 K HN -0.533 7.718 8.250 0.002 0.000 0.440 266 K N -2.389 118.067 120.400 0.093 0.000 2.103 266 K HA -0.240 4.116 4.320 0.061 0.000 0.207 266 K C 1.624 178.272 176.600 0.080 0.000 1.048 266 K CA 2.577 58.915 56.287 0.084 0.000 0.930 266 K CB 0.039 32.597 32.500 0.096 0.000 0.716 266 K HN -0.680 7.630 8.250 0.100 0.000 0.444 267 Q N -4.617 115.256 119.800 0.123 0.000 2.172 267 Q HA 0.219 4.574 4.340 0.026 0.000 0.217 267 Q C -0.296 175.759 176.000 0.093 0.000 0.832 267 Q CA -0.616 55.229 55.803 0.070 0.000 1.010 267 Q CB 0.222 28.949 28.738 -0.018 0.000 1.133 267 Q HN -0.589 7.776 8.270 0.185 0.017 0.489 268 K N 1.435 121.900 120.400 0.109 0.000 2.281 268 K HA -0.250 4.150 4.320 0.133 0.000 0.203 268 K C 0.128 176.767 176.600 0.065 0.000 1.046 268 K CA 3.365 59.714 56.287 0.103 0.000 0.938 268 K CB -0.064 32.491 32.500 0.092 0.000 0.737 268 K HN -0.693 7.620 8.250 0.105 0.000 0.458 269 L N -3.955 117.295 121.223 0.044 0.000 2.700 269 L HA 0.140 4.497 4.340 0.029 0.000 0.234 269 L C 0.657 177.536 176.870 0.015 0.000 1.156 269 L CA 0.230 55.086 54.840 0.027 0.000 0.946 269 L CB -0.394 41.678 42.059 0.021 0.000 1.216 269 L HN -0.096 8.123 8.230 0.043 0.036 0.493 270 T N -2.022 112.538 114.554 0.010 0.000 2.999 270 T HA 0.101 4.448 4.350 -0.005 0.000 0.247 270 T C 1.536 176.239 174.700 0.004 0.000 1.012 270 T CA 0.543 62.639 62.100 -0.008 0.000 1.048 270 T CB 1.258 70.101 68.868 -0.042 0.000 1.020 270 T HN -0.075 8.024 8.240 0.015 0.150 0.478 271 R N 0.491 121.008 120.500 0.028 0.000 2.062 271 R HA -0.042 4.327 4.340 0.050 0.000 0.226 271 R C 1.323 177.657 176.300 0.058 0.000 1.125 271 R CA 1.289 57.427 56.100 0.063 0.000 0.966 271 R CB -0.731 29.656 30.300 0.145 0.000 0.861 271 R HN -0.450 7.843 8.270 0.038 0.000 0.433 272 D N -1.995 118.438 120.400 0.055 0.000 2.350 272 D HA -0.142 4.523 4.640 0.041 0.000 0.216 272 D C -0.254 176.061 176.300 0.025 0.000 0.968 272 D CA 1.660 55.684 54.000 0.040 0.000 0.894 272 D CB 0.019 40.841 40.800 0.038 0.000 0.909 272 D HN -0.527 7.878 8.370 0.059 0.000 0.520 273 L N 0.000 121.236 121.223 0.022 0.000 2.949 273 L HA 0.000 4.347 4.340 0.011 0.000 0.249 273 L CA 0.000 54.848 54.840 0.013 0.000 0.813 273 L CB 0.000 42.065 42.059 0.010 0.000 0.961 273 L HN 0.000 8.186 8.230 0.024 0.058 0.502