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 1i5i_1_A DATA FIRST_RESID 1 DATA SEQUENCE GKITFYEDRG FQGHCYESSS DCPNLQPYFS RCNSIRVDSG CWMLYERPNY DATA SEQUENCE QGHQYFLRRG DYPDYQQWMG FNDSIRSCRL IPQHTGTFRM RIYERDDFRG DATA SEQUENCE QMSEITDDCP SLQDRFHLTE VHSLNVLEGS WVLYEMPSYR GRQYLLRPGE DATA SEQUENCE YRRYLDWGAM NAKVGSLRRV MDF 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 1 G HA2 0.000 3.960 3.960 -0.000 0.000 0.244 1 G HA3 0.000 3.959 3.960 -0.001 0.000 0.244 1 G C 0.000 175.139 174.900 0.399 0.000 0.946 1 G CA 0.000 45.274 45.100 0.289 0.000 0.502 2 K N 1.683 122.310 120.400 0.377 0.000 2.589 2 K HA 0.551 4.870 4.320 -0.001 0.000 0.253 2 K C -1.743 174.734 176.600 -0.205 0.000 0.974 2 K CA -0.722 55.596 56.287 0.053 0.000 0.835 2 K CB 2.339 34.832 32.500 -0.012 0.000 1.272 2 K HN 0.547 8.797 8.250 -0.000 0.000 0.444 3 I N 1.955 122.163 120.570 -0.605 0.000 2.582 3 I HA 0.445 4.614 4.170 -0.001 0.000 0.292 3 I C -1.321 174.251 176.117 -0.908 0.000 1.066 3 I CA -0.238 60.495 61.300 -0.945 0.000 1.053 3 I CB 2.343 39.306 38.000 -1.728 0.000 1.241 3 I HN 0.473 8.683 8.210 -0.000 0.000 0.421 4 T N 7.027 121.109 114.554 -0.786 0.000 2.824 4 T HA 0.549 4.899 4.350 -0.001 0.000 0.282 4 T C -0.891 173.358 174.700 -0.752 0.000 0.993 4 T CA -0.178 61.509 62.100 -0.688 0.000 0.967 4 T CB 0.756 69.371 68.868 -0.422 0.000 0.960 4 T HN 0.229 8.469 8.240 -0.000 0.000 0.441 5 F N 2.096 121.745 119.950 -0.502 0.000 2.422 5 F HA 0.614 5.141 4.527 -0.001 0.000 0.333 5 F C -0.296 175.144 175.800 -0.600 0.000 1.095 5 F CA -0.997 56.687 58.000 -0.527 0.000 1.038 5 F CB 0.966 39.391 39.000 -0.958 0.000 1.156 5 F HN 0.466 8.766 8.300 -0.000 0.000 0.483 6 Y N 0.772 121.043 120.300 -0.049 0.000 2.429 6 Y HA 0.282 4.831 4.550 -0.001 0.000 0.342 6 Y C 1.037 176.951 175.900 0.024 0.000 1.004 6 Y CA -0.856 57.243 58.100 -0.002 0.000 1.075 6 Y CB 1.616 40.128 38.460 0.086 0.000 1.214 6 Y HN 0.646 8.926 8.280 -0.000 0.000 0.455 7 E N 0.744 121.063 120.200 0.198 0.000 2.216 7 E HA -0.053 4.296 4.350 -0.001 0.000 0.192 7 E C -0.506 176.205 176.600 0.185 0.000 0.988 7 E CA 0.831 57.350 56.400 0.199 0.000 0.834 7 E CB 0.348 30.189 29.700 0.235 0.000 0.772 7 E HN 0.632 8.992 8.360 -0.000 0.000 0.479 8 D N -0.473 120.034 120.400 0.180 0.000 2.467 8 D HA 0.267 4.907 4.640 -0.001 0.000 0.245 8 D C -0.079 176.253 176.300 0.054 0.000 1.038 8 D CA -0.579 53.489 54.000 0.114 0.000 1.038 8 D CB 1.106 41.964 40.800 0.096 0.000 1.278 8 D HN -0.157 8.213 8.370 -0.000 0.000 0.564 9 R N -0.583 119.911 120.500 -0.009 0.000 2.679 9 R HA 0.414 4.753 4.340 -0.001 0.000 0.269 9 R C 0.835 177.012 176.300 -0.204 0.000 1.076 9 R CA 0.290 56.321 56.100 -0.114 0.000 1.160 9 R CB 0.334 30.570 30.300 -0.107 0.000 1.054 9 R HN 0.683 8.953 8.270 -0.000 0.000 0.507 10 G N 1.923 110.478 108.800 -0.408 0.000 2.273 10 G HA2 -0.289 3.671 3.960 -0.001 0.000 0.280 10 G HA3 -0.289 3.671 3.960 -0.001 0.000 0.280 10 G C 0.013 174.700 174.900 -0.355 0.000 1.047 10 G CA 0.322 45.159 45.100 -0.438 0.000 0.869 10 G HN 0.671 8.961 8.290 -0.000 0.000 0.502 11 F N -2.679 117.094 119.950 -0.295 0.000 3.080 11 F HA -0.199 4.328 4.527 -0.001 0.000 0.292 11 F C 0.953 176.517 175.800 -0.394 0.000 0.891 11 F CA 1.234 58.778 58.000 -0.759 0.000 1.086 11 F CB -1.986 36.526 39.000 -0.812 0.000 1.095 11 F HN 0.489 8.789 8.300 -0.000 0.000 0.633 12 Q N 0.343 120.149 119.800 0.010 0.000 2.241 12 Q HA 0.784 5.124 4.340 -0.001 0.000 0.262 12 Q C 0.960 177.103 176.000 0.238 0.000 1.014 12 Q CA 0.081 55.960 55.803 0.128 0.000 0.885 12 Q CB 1.763 30.541 28.738 0.066 0.000 1.311 12 Q HN 0.571 8.841 8.270 -0.000 0.000 0.461 13 G N 0.248 109.177 108.800 0.215 0.000 2.725 13 G HA2 -0.244 3.715 3.960 -0.001 0.000 0.220 13 G HA3 -0.244 3.715 3.960 -0.001 0.000 0.220 13 G C -0.514 174.539 174.900 0.255 0.000 1.357 13 G CA -0.217 45.013 45.100 0.217 0.000 0.866 13 G HN 0.852 9.142 8.290 -0.000 0.000 0.548 14 H N 0.064 119.217 119.070 0.139 0.000 2.972 14 H HA 0.373 4.929 4.556 -0.001 0.000 0.343 14 H C 0.941 176.313 175.328 0.072 0.000 1.054 14 H CA 1.093 57.210 56.048 0.114 0.000 1.412 14 H CB 0.251 30.084 29.762 0.120 0.000 1.385 14 H HN 1.252 9.532 8.280 -0.000 0.000 0.600 15 C N 4.541 123.471 119.300 -0.617 0.000 3.285 15 C HA 0.689 5.148 4.460 -0.001 0.000 0.320 15 C C -1.441 173.251 174.990 -0.497 0.000 1.411 15 C CA -1.008 57.634 59.018 -0.627 0.000 1.429 15 C CB 1.017 28.212 27.740 -0.908 0.000 1.812 15 C HN 0.833 9.063 8.230 -0.000 0.000 0.454 16 Y N 0.991 121.030 120.300 -0.435 0.000 2.479 16 Y HA 0.585 5.134 4.550 -0.001 0.000 0.338 16 Y C -0.845 174.982 175.900 -0.123 0.000 1.055 16 Y CA -0.398 57.608 58.100 -0.157 0.000 1.023 16 Y CB 1.547 40.099 38.460 0.153 0.000 1.287 16 Y HN 0.973 9.253 8.280 -0.000 0.000 0.447 17 E N 3.160 122.869 120.200 -0.818 0.000 2.195 17 E HA 0.677 5.026 4.350 -0.001 0.000 0.271 17 E C -1.374 174.727 176.600 -0.831 0.000 0.923 17 E CA -1.106 54.885 56.400 -0.682 0.000 0.790 17 E CB 2.331 31.773 29.700 -0.430 0.000 1.155 17 E HN 0.421 8.781 8.360 -0.000 0.000 0.402 18 S N 0.742 116.155 115.700 -0.477 0.000 2.542 18 S HA 0.358 4.827 4.470 -0.001 0.000 0.293 18 S C -0.111 174.488 174.600 -0.002 0.000 1.089 18 S CA -0.262 57.817 58.200 -0.203 0.000 0.961 18 S CB 1.507 64.750 63.200 0.073 0.000 1.062 18 S HN 0.628 8.938 8.310 -0.000 0.000 0.483 19 S N 1.412 117.205 115.700 0.155 0.000 2.701 19 S HA 0.410 4.879 4.470 -0.001 0.000 0.242 19 S C 0.187 174.970 174.600 0.304 0.000 1.025 19 S CA 0.195 58.552 58.200 0.262 0.000 1.016 19 S CB -0.280 62.986 63.200 0.111 0.000 0.977 19 S HN 0.973 9.283 8.310 -0.000 0.000 0.546 20 S N 0.090 116.008 115.700 0.363 0.000 0.000 20 S HA 0.599 5.069 4.470 -0.001 0.000 0.000 20 S C -1.803 173.005 174.600 0.347 0.000 0.000 20 S CA -0.877 57.471 58.200 0.246 0.000 0.000 20 S CB 0.300 63.593 63.200 0.155 0.000 0.000 20 S HN 0.029 8.339 8.310 -0.000 0.000 0.000 21 D N 0.409 120.955 120.400 0.242 0.000 2.423 21 D HA 0.381 5.021 4.640 -0.001 0.000 0.238 21 D C -0.535 175.979 176.300 0.357 0.000 1.142 21 D CA 0.197 54.385 54.000 0.313 0.000 0.884 21 D CB 0.806 41.741 40.800 0.226 0.000 1.199 21 D HN 0.704 9.074 8.370 -0.000 0.000 0.438 22 C N 4.036 123.597 119.300 0.435 0.000 2.620 22 C HA 0.334 4.793 4.460 -0.001 0.000 0.356 22 C C -1.989 173.142 174.990 0.235 0.000 1.082 22 C CA -1.574 57.642 59.018 0.331 0.000 1.293 22 C CB 1.133 29.075 27.740 0.337 0.000 1.836 22 C HN 0.444 8.674 8.230 -0.000 0.000 0.453 23 P HA 0.028 4.448 4.420 -0.000 0.000 0.233 23 P C -0.281 176.865 177.300 -0.256 0.000 1.167 23 P CA 1.114 63.988 63.100 -0.377 0.000 0.770 23 P CB -0.089 31.432 31.700 -0.298 0.000 0.837 24 N N -0.436 118.214 118.700 -0.082 0.000 2.752 24 N HA 0.167 4.906 4.740 -0.001 0.000 0.268 24 N C -0.085 175.384 175.510 -0.068 0.000 1.190 24 N CA -0.266 52.718 53.050 -0.111 0.000 0.897 24 N CB 0.847 39.251 38.487 -0.139 0.000 1.515 24 N HN -0.261 8.119 8.380 -0.000 0.000 0.567 25 L N 2.456 123.590 121.223 -0.149 0.000 2.585 25 L HA 0.162 4.502 4.340 -0.001 0.000 0.226 25 L C 2.257 178.758 176.870 -0.616 0.000 1.113 25 L CA 0.081 54.794 54.840 -0.211 0.000 0.876 25 L CB 0.014 41.830 42.059 -0.404 0.000 1.072 25 L HN 0.617 8.847 8.230 -0.000 0.000 0.468 26 Q N 0.888 120.380 119.800 -0.513 0.000 2.096 26 Q HA -0.221 4.118 4.340 -0.001 0.000 0.208 26 Q C -0.536 175.157 176.000 -0.512 0.000 0.993 26 Q CA 1.975 57.494 55.803 -0.473 0.000 0.862 26 Q CB -1.066 27.489 28.738 -0.305 0.000 0.915 26 Q HN 0.416 8.686 8.270 -0.000 0.000 0.416 27 P HA -0.164 4.256 4.420 -0.000 0.000 0.223 27 P C 0.257 177.132 177.300 -0.709 0.000 1.144 27 P CA 1.408 64.090 63.100 -0.697 0.000 0.783 27 P CB -0.072 31.103 31.700 -0.875 0.000 0.771 28 Y N -0.771 119.299 120.300 -0.383 0.000 2.441 28 Y HA 0.241 4.790 4.550 -0.001 0.000 0.288 28 Y C 1.262 177.200 175.900 0.062 0.000 1.118 28 Y CA -0.164 57.732 58.100 -0.341 0.000 1.215 28 Y CB -0.285 37.630 38.460 -0.908 0.000 1.118 28 Y HN -0.115 8.165 8.280 -0.000 0.000 0.547 29 F N -2.951 117.033 119.950 0.057 0.000 2.654 29 F HA 0.520 5.047 4.527 -0.001 0.000 0.308 29 F C 0.535 176.360 175.800 0.041 0.000 1.108 29 F CA -1.207 56.874 58.000 0.135 0.000 0.957 29 F CB 0.930 40.029 39.000 0.164 0.000 1.309 29 F HN -0.257 8.043 8.300 -0.000 0.000 0.446 30 S N 0.192 116.033 115.700 0.235 0.000 2.535 30 S HA 0.388 4.858 4.470 -0.001 0.000 0.214 30 S C 0.163 174.864 174.600 0.168 0.000 0.980 30 S CA 0.151 58.411 58.200 0.100 0.000 0.907 30 S CB -0.251 62.990 63.200 0.069 0.000 0.790 30 S HN 0.944 9.254 8.310 -0.000 0.000 0.510 31 R N -1.358 119.341 120.500 0.332 0.000 2.712 31 R HA 0.687 5.026 4.340 -0.001 0.000 0.272 31 R C -2.153 174.354 176.300 0.345 0.000 1.032 31 R CA -0.916 55.353 56.100 0.282 0.000 0.874 31 R CB 0.763 31.166 30.300 0.172 0.000 1.256 31 R HN 0.120 8.390 8.270 -0.000 0.000 0.468 32 C N 1.589 121.051 119.300 0.270 0.000 2.505 32 C HA 0.537 4.996 4.460 -0.001 0.000 0.342 32 C C -0.464 174.730 174.990 0.340 0.000 1.121 32 C CA -0.454 58.718 59.018 0.257 0.000 1.306 32 C CB 0.812 28.703 27.740 0.252 0.000 1.897 32 C HN 0.960 9.190 8.230 -0.000 0.000 0.446 33 N N 1.738 120.631 118.700 0.322 0.000 2.166 33 N HA 0.135 4.874 4.740 -0.001 0.000 0.213 33 N C -0.278 175.396 175.510 0.273 0.000 1.222 33 N CA 0.333 53.564 53.050 0.301 0.000 0.900 33 N CB 0.978 39.573 38.487 0.180 0.000 1.055 33 N HN 0.848 9.228 8.380 -0.000 0.000 0.515 34 S N -0.172 115.742 115.700 0.357 0.000 2.547 34 S HA 0.654 5.124 4.470 -0.001 0.000 0.270 34 S C -1.028 173.830 174.600 0.431 0.000 1.150 34 S CA -0.740 57.634 58.200 0.289 0.000 0.850 34 S CB 2.058 65.087 63.200 -0.285 0.000 1.118 34 S HN 0.014 8.324 8.310 -0.000 0.000 0.461 35 I N 0.840 121.699 120.570 0.482 0.000 2.722 35 I HA 0.524 4.694 4.170 -0.001 0.000 0.295 35 I C -0.594 175.818 176.117 0.492 0.000 1.161 35 I CA -0.667 60.810 61.300 0.296 0.000 1.032 35 I CB 2.381 40.243 38.000 -0.229 0.000 1.244 35 I HN 0.532 8.742 8.210 -0.000 0.000 0.421 36 R N 4.884 125.539 120.500 0.259 0.000 2.358 36 R HA 0.453 4.793 4.340 -0.001 0.000 0.309 36 R C -1.348 174.923 176.300 -0.048 0.000 1.026 36 R CA -0.654 55.520 56.100 0.124 0.000 0.909 36 R CB 1.820 32.115 30.300 -0.009 0.000 1.153 36 R HN 0.321 8.591 8.270 -0.000 0.000 0.515 37 V N 4.200 124.131 119.914 0.030 0.000 2.405 37 V HA 0.012 4.132 4.120 -0.001 0.000 0.264 37 V C 1.092 177.190 176.094 0.007 0.000 1.048 37 V CA 0.099 62.372 62.300 -0.045 0.000 0.966 37 V CB 1.012 32.882 31.823 0.078 0.000 1.015 37 V HN 0.660 8.850 8.190 -0.000 0.000 0.477 38 D N 2.476 122.860 120.400 -0.027 0.000 2.183 38 D HA 0.038 4.677 4.640 -0.001 0.000 0.205 38 D C 0.781 177.121 176.300 0.066 0.000 0.962 38 D CA 1.179 55.179 54.000 0.001 0.000 0.849 38 D CB 0.774 41.557 40.800 -0.028 0.000 0.978 38 D HN 0.714 9.084 8.370 -0.000 0.000 0.488 39 S N -1.768 114.014 115.700 0.136 0.000 2.567 39 S HA 0.562 5.031 4.470 -0.001 0.000 0.270 39 S C -0.043 174.738 174.600 0.302 0.000 1.152 39 S CA -0.313 57.993 58.200 0.177 0.000 0.835 39 S CB 2.344 65.616 63.200 0.120 0.000 1.115 39 S HN 0.373 8.683 8.310 -0.000 0.000 0.459 40 G N -0.369 108.542 108.800 0.185 0.000 2.756 40 G HA2 0.005 3.964 3.960 -0.001 0.000 0.678 40 G HA3 0.005 3.964 3.960 -0.001 0.000 0.678 40 G C -0.432 174.501 174.900 0.054 0.000 1.349 40 G CA -0.534 44.595 45.100 0.048 0.000 0.847 40 G HN 1.588 9.878 8.290 -0.000 0.000 0.548 41 C N -0.060 119.157 119.300 -0.138 0.000 2.329 41 C HA 0.825 5.284 4.460 -0.001 0.000 0.329 41 C C -0.181 174.700 174.990 -0.182 0.000 1.275 41 C CA -0.318 58.690 59.018 -0.017 0.000 1.726 41 C CB 0.118 27.946 27.740 0.147 0.000 2.291 41 C HN 0.588 8.818 8.230 -0.000 0.000 0.514 42 W N 2.535 123.855 121.300 0.033 0.000 2.936 42 W HA 0.668 5.328 4.660 -0.001 0.000 0.338 42 W C -0.254 176.332 176.519 0.113 0.000 1.121 42 W CA -0.785 56.597 57.345 0.062 0.000 1.209 42 W CB 1.279 30.729 29.460 -0.017 0.000 1.420 42 W HN 0.285 8.465 8.180 -0.000 0.000 0.516 43 M N 3.542 123.353 119.600 0.353 0.000 2.078 43 M HA 0.475 4.954 4.480 -0.001 0.000 0.320 43 M C -1.370 174.980 176.300 0.084 0.000 0.969 43 M CA -0.308 55.085 55.300 0.154 0.000 0.929 43 M CB 0.507 33.145 32.600 0.063 0.000 1.504 43 M HN 0.257 8.547 8.290 -0.000 0.000 0.419 44 L N 4.688 125.920 121.223 0.016 0.000 2.343 44 L HA 0.505 4.845 4.340 -0.001 0.000 0.275 44 L C -1.220 175.584 176.870 -0.110 0.000 1.056 44 L CA -0.792 54.124 54.840 0.126 0.000 0.804 44 L CB 1.044 43.206 42.059 0.172 0.000 1.203 44 L HN 0.583 8.813 8.230 -0.000 0.000 0.440 45 Y N -0.175 120.293 120.300 0.279 0.000 2.425 45 Y HA 0.124 4.674 4.550 -0.001 0.000 0.344 45 Y C 0.907 176.942 175.900 0.225 0.000 0.969 45 Y CA -0.639 57.588 58.100 0.211 0.000 1.052 45 Y CB 1.912 40.512 38.460 0.233 0.000 1.215 45 Y HN 0.621 8.901 8.280 -0.000 0.000 0.451 46 E N 2.289 122.706 120.200 0.362 0.000 2.204 46 E HA -0.063 4.286 4.350 -0.001 0.000 0.194 46 E C -0.147 176.587 176.600 0.223 0.000 0.989 46 E CA 0.957 57.555 56.400 0.331 0.000 0.824 46 E CB 0.381 30.281 29.700 0.334 0.000 0.756 46 E HN 0.626 8.986 8.360 -0.000 0.000 0.477 47 R N 0.245 120.867 120.500 0.203 0.000 2.854 47 R HA 0.387 4.726 4.340 -0.001 0.000 0.271 47 R C -2.611 173.709 176.300 0.033 0.000 0.994 47 R CA -2.399 53.759 56.100 0.096 0.000 0.945 47 R CB 1.700 32.044 30.300 0.074 0.000 1.194 47 R HN -0.025 8.245 8.270 -0.000 0.000 0.476 48 P HA -0.049 4.371 4.420 -0.000 0.000 0.270 48 P C -0.655 176.499 177.300 -0.243 0.000 1.223 48 P CA 0.007 63.016 63.100 -0.151 0.000 0.785 48 P CB 0.345 31.958 31.700 -0.144 0.000 0.923 49 N N -0.311 118.109 118.700 -0.466 0.000 2.747 49 N HA -0.218 4.522 4.740 -0.001 0.000 0.249 49 N C -0.738 174.419 175.510 -0.588 0.000 1.107 49 N CA 0.765 53.439 53.050 -0.626 0.000 0.707 49 N CB -2.116 36.196 38.487 -0.291 0.000 1.054 49 N HN 0.631 9.011 8.380 -0.000 0.000 0.555 50 Y N -2.194 117.870 120.300 -0.394 0.000 3.057 50 Y HA -0.334 4.215 4.550 -0.001 0.000 0.192 50 Y C 0.744 176.341 175.900 -0.505 0.000 1.448 50 Y CA 0.503 57.971 58.100 -1.055 0.000 1.065 50 Y CB -1.939 35.917 38.460 -1.007 0.000 1.369 50 Y HN 0.328 8.608 8.280 -0.000 0.000 0.460 51 Q N -0.250 119.537 119.800 -0.021 0.000 2.552 51 Q HA 0.744 5.083 4.340 -0.001 0.000 0.289 51 Q C 0.705 176.845 176.000 0.234 0.000 1.097 51 Q CA -0.479 55.399 55.803 0.125 0.000 0.812 51 Q CB 2.550 31.312 28.738 0.041 0.000 1.460 51 Q HN 0.554 8.824 8.270 -0.000 0.000 0.452 52 G N -0.056 108.839 108.800 0.158 0.000 2.645 52 G HA2 -0.268 3.691 3.960 -0.001 0.000 0.239 52 G HA3 -0.268 3.691 3.960 -0.001 0.000 0.239 52 G C -0.992 173.939 174.900 0.052 0.000 1.331 52 G CA -0.325 44.840 45.100 0.109 0.000 0.890 52 G HN 0.719 9.009 8.290 -0.000 0.000 0.572 53 H N 1.505 120.534 119.070 -0.068 0.000 3.094 53 H HA 0.367 4.922 4.556 -0.001 0.000 0.320 53 H C 1.011 176.002 175.328 -0.562 0.000 1.000 53 H CA 1.340 57.210 56.048 -0.298 0.000 1.413 53 H CB 0.324 29.941 29.762 -0.241 0.000 1.405 53 H HN 0.564 8.844 8.280 -0.000 0.000 0.586 54 Q N 2.683 122.121 119.800 -0.604 0.000 2.309 54 Q HA 0.419 4.758 4.340 -0.001 0.000 0.264 54 Q C -1.099 174.451 176.000 -0.749 0.000 1.008 54 Q CA -0.831 54.553 55.803 -0.697 0.000 0.853 54 Q CB 2.086 30.542 28.738 -0.470 0.000 1.314 54 Q HN 0.575 8.845 8.270 -0.000 0.000 0.448 55 Y N 0.716 120.973 120.300 -0.072 0.000 2.373 55 Y HA 0.370 4.919 4.550 -0.001 0.000 0.336 55 Y C -0.935 175.006 175.900 0.068 0.000 0.979 55 Y CA -1.111 57.027 58.100 0.063 0.000 1.080 55 Y CB 1.103 39.651 38.460 0.147 0.000 1.190 55 Y HN 0.567 8.847 8.280 -0.000 0.000 0.446 56 F N 4.828 124.847 119.950 0.114 0.000 2.411 56 F HA 0.704 5.230 4.527 -0.001 0.000 0.355 56 F C -1.575 174.295 175.800 0.118 0.000 1.117 56 F CA -1.259 56.787 58.000 0.077 0.000 1.139 56 F CB 0.365 39.394 39.000 0.047 0.000 1.120 56 F HN 0.388 8.688 8.300 -0.000 0.000 0.493 57 L N 6.806 127.748 121.223 -0.468 0.000 2.386 57 L HA 0.580 4.920 4.340 -0.001 0.000 0.271 57 L C -0.224 176.378 176.870 -0.446 0.000 0.993 57 L CA -0.422 54.164 54.840 -0.422 0.000 0.819 57 L CB 2.251 44.083 42.059 -0.378 0.000 1.294 57 L HN 0.605 8.835 8.230 -0.000 0.000 0.414 58 R N 0.933 121.298 120.500 -0.226 0.000 3.006 58 R HA 0.641 4.980 4.340 -0.001 0.000 0.235 58 R C -0.625 175.830 176.300 0.257 0.000 1.362 58 R CA -1.266 54.813 56.100 -0.035 0.000 1.067 58 R CB 1.174 31.365 30.300 -0.182 0.000 1.396 58 R HN 0.543 8.813 8.270 -0.000 0.000 0.504 59 R N 0.186 120.883 120.500 0.328 0.000 2.583 59 R HA 0.341 4.680 4.340 -0.001 0.000 0.274 59 R C 0.252 176.672 176.300 0.200 0.000 0.998 59 R CA 0.295 56.558 56.100 0.271 0.000 1.081 59 R CB -0.057 30.389 30.300 0.243 0.000 0.940 59 R HN 0.814 9.084 8.270 -0.000 0.000 0.413 60 G N 1.178 110.024 108.800 0.077 0.000 2.337 60 G HA2 0.083 4.042 3.960 -0.001 0.000 0.298 60 G HA3 0.083 4.042 3.960 -0.001 0.000 0.298 60 G C -1.937 172.849 174.900 -0.189 0.000 1.335 60 G CA -0.952 44.067 45.100 -0.136 0.000 0.875 60 G HN 0.478 8.768 8.290 -0.000 0.000 0.579 61 D N -0.147 120.086 120.400 -0.279 0.000 2.168 61 D HA 0.604 5.243 4.640 -0.001 0.000 0.246 61 D C -1.015 175.178 176.300 -0.177 0.000 1.050 61 D CA 0.299 54.268 54.000 -0.052 0.000 0.857 61 D CB 1.209 42.030 40.800 0.035 0.000 1.169 61 D HN 0.306 8.676 8.370 -0.000 0.000 0.453 62 Y N 1.583 122.118 120.300 0.391 0.000 2.594 62 Y HA 0.255 4.804 4.550 -0.001 0.000 0.338 62 Y C -1.680 174.223 175.900 0.004 0.000 1.019 62 Y CA -1.877 56.380 58.100 0.262 0.000 1.306 62 Y CB 1.868 40.615 38.460 0.478 0.000 1.094 62 Y HN 0.237 8.517 8.280 -0.000 0.000 0.534 63 P HA -0.062 4.358 4.420 -0.000 0.000 0.229 63 P C -0.305 176.777 177.300 -0.363 0.000 1.160 63 P CA 1.223 64.001 63.100 -0.536 0.000 0.777 63 P CB 0.650 32.159 31.700 -0.318 0.000 0.814 64 D N -2.016 118.239 120.400 -0.241 0.000 2.623 64 D HA -0.020 4.619 4.640 -0.001 0.000 0.241 64 D C 0.365 176.278 176.300 -0.644 0.000 1.241 64 D CA -0.754 53.044 54.000 -0.338 0.000 0.788 64 D CB 0.463 41.042 40.800 -0.368 0.000 1.413 64 D HN -0.011 8.359 8.370 -0.000 0.000 0.429 65 Y N -0.271 119.519 120.300 -0.851 0.000 2.483 65 Y HA -0.010 4.539 4.550 -0.001 0.000 0.291 65 Y C 2.149 177.210 175.900 -1.397 0.000 1.143 65 Y CA 1.019 58.053 58.100 -1.777 0.000 1.289 65 Y CB -0.462 37.467 38.460 -0.885 0.000 0.983 65 Y HN 0.365 8.645 8.280 -0.000 0.000 0.556 66 Q N 0.094 119.258 119.800 -1.059 0.000 2.291 66 Q HA -0.166 4.173 4.340 -0.001 0.000 0.205 66 Q C 1.952 177.708 176.000 -0.405 0.000 0.970 66 Q CA 1.013 56.420 55.803 -0.660 0.000 0.876 66 Q CB -0.010 28.394 28.738 -0.556 0.000 0.935 66 Q HN 0.606 8.876 8.270 -0.000 0.000 0.455 67 Q N -0.859 118.708 119.800 -0.388 0.000 2.224 67 Q HA -0.163 4.176 4.340 -0.001 0.000 0.203 67 Q C 1.011 177.127 176.000 0.193 0.000 0.970 67 Q CA 1.080 56.866 55.803 -0.028 0.000 0.865 67 Q CB -0.004 28.824 28.738 0.150 0.000 0.922 67 Q HN 0.621 8.891 8.270 -0.000 0.000 0.445 68 W N -1.981 119.368 121.300 0.083 0.000 2.966 68 W HA 0.455 5.115 4.660 -0.001 0.000 0.406 68 W C -0.229 176.314 176.519 0.040 0.000 1.027 68 W CA -0.754 56.605 57.345 0.023 0.000 1.930 68 W CB 0.246 29.579 29.460 -0.211 0.000 1.144 68 W HN -0.161 8.019 8.180 -0.000 0.000 0.626 69 M N 1.150 120.759 119.600 0.015 0.000 2.537 69 M HA -0.127 4.352 4.480 -0.001 0.000 0.205 69 M C 0.486 176.854 176.300 0.113 0.000 0.450 69 M CA 0.815 56.183 55.300 0.114 0.000 0.553 69 M CB -2.572 30.210 32.600 0.303 0.000 2.046 69 M HN 0.452 8.742 8.290 -0.000 0.000 0.797 70 G N -0.505 108.141 108.800 -0.256 0.000 2.406 70 G HA2 0.309 4.269 3.960 -0.001 0.000 0.251 70 G HA3 0.309 4.269 3.960 -0.001 0.000 0.251 70 G C 0.521 175.490 174.900 0.115 0.000 1.271 70 G CA -0.377 44.532 45.100 -0.318 0.000 0.859 70 G HN 0.453 8.743 8.290 -0.000 0.000 0.540 71 F N 2.344 122.312 119.950 0.029 0.000 2.206 71 F HA 0.063 4.589 4.527 -0.001 0.000 0.298 71 F C 1.093 176.813 175.800 -0.134 0.000 1.090 71 F CA 1.284 59.232 58.000 -0.087 0.000 1.323 71 F CB 0.224 38.930 39.000 -0.490 0.000 1.028 71 F HN 0.660 8.960 8.300 -0.000 0.000 0.492 72 N N -1.082 117.439 118.700 -0.298 0.000 3.587 72 N HA 0.136 4.876 4.740 -0.001 0.000 0.339 72 N C -1.356 173.586 175.510 -0.947 0.000 1.636 72 N CA -0.063 52.556 53.050 -0.718 0.000 0.788 72 N CB -0.338 37.968 38.487 -0.301 0.000 2.205 72 N HN -0.065 8.315 8.380 -0.000 0.000 0.600 73 D N -1.611 118.402 120.400 -0.646 0.000 2.722 73 D HA 0.227 4.867 4.640 -0.001 0.000 0.239 73 D C -0.753 175.552 176.300 0.009 0.000 1.249 73 D CA -0.285 53.531 54.000 -0.307 0.000 0.830 73 D CB -0.481 40.220 40.800 -0.165 0.000 1.025 73 D HN 0.373 8.743 8.370 -0.000 0.000 0.486 74 S N 0.690 116.425 115.700 0.059 0.000 2.474 74 S HA 0.540 5.009 4.470 -0.001 0.000 0.321 74 S C -0.832 173.908 174.600 0.234 0.000 1.080 74 S CA -0.778 57.510 58.200 0.147 0.000 1.106 74 S CB 0.206 63.485 63.200 0.132 0.000 0.984 74 S HN 0.189 8.499 8.310 -0.000 0.000 0.464 75 I N 5.831 126.543 120.570 0.238 0.000 2.448 75 I HA 0.413 4.582 4.170 -0.001 0.000 0.281 75 I C 0.636 176.812 176.117 0.099 0.000 1.027 75 I CA -0.157 61.281 61.300 0.231 0.000 1.111 75 I CB 1.512 39.639 38.000 0.211 0.000 1.236 75 I HN 0.775 8.985 8.210 -0.000 0.000 0.452 76 R N 2.831 123.382 120.500 0.084 0.000 2.476 76 R HA 0.246 4.586 4.340 -0.001 0.000 0.276 76 R C -0.253 176.041 176.300 -0.010 0.000 0.941 76 R CA 0.022 56.094 56.100 -0.046 0.000 1.088 76 R CB 0.803 31.081 30.300 -0.037 0.000 1.216 76 R HN 0.730 9.000 8.270 -0.000 0.000 0.533 77 S N -0.622 115.163 115.700 0.142 0.000 2.558 77 S HA 0.466 4.935 4.470 -0.001 0.000 0.277 77 S C -0.719 174.210 174.600 0.548 0.000 1.143 77 S CA -1.183 57.155 58.200 0.230 0.000 0.865 77 S CB 1.362 64.557 63.200 -0.008 0.000 1.102 77 S HN 0.240 8.550 8.310 -0.000 0.000 0.454 78 C N 0.617 120.300 119.300 0.639 0.000 2.994 78 C HA 0.908 5.368 4.460 -0.001 0.000 0.305 78 C C -0.777 174.640 174.990 0.713 0.000 1.251 78 C CA -0.726 58.730 59.018 0.731 0.000 1.478 78 C CB 1.264 29.418 27.740 0.691 0.000 1.922 78 C HN 1.102 9.332 8.230 -0.000 0.000 0.472 79 R N 1.165 122.026 120.500 0.602 0.000 2.561 79 R HA 0.638 4.977 4.340 -0.001 0.000 0.297 79 R C -1.427 174.928 176.300 0.092 0.000 0.969 79 R CA -0.722 55.543 56.100 0.274 0.000 0.879 79 R CB 1.978 32.350 30.300 0.119 0.000 1.178 79 R HN 0.804 9.074 8.270 -0.000 0.000 0.445 80 L N 5.648 126.736 121.223 -0.225 0.000 2.283 80 L HA 0.381 4.720 4.340 -0.001 0.000 0.287 80 L C -0.685 175.963 176.870 -0.370 0.000 1.073 80 L CA 0.100 54.483 54.840 -0.761 0.000 0.822 80 L CB 0.538 42.107 42.059 -0.818 0.000 1.186 80 L HN 0.527 8.757 8.230 -0.000 0.000 0.436 81 I N 7.633 128.014 120.570 -0.315 0.000 2.396 81 I HA 0.250 4.420 4.170 -0.001 0.000 0.289 81 I C -1.742 174.305 176.117 -0.117 0.000 1.056 81 I CA -1.697 59.525 61.300 -0.129 0.000 1.365 81 I CB 0.487 38.471 38.000 -0.027 0.000 1.407 81 I HN 0.538 8.748 8.210 -0.000 0.000 0.509 82 P HA -0.004 4.416 4.420 -0.000 0.000 0.267 82 P C -0.610 176.688 177.300 -0.003 0.000 1.205 82 P CA -0.269 62.803 63.100 -0.046 0.000 0.765 82 P CB 0.423 32.107 31.700 -0.025 0.000 0.828 83 Q N 2.724 122.522 119.800 -0.003 0.000 2.337 83 Q HA 0.026 4.365 4.340 -0.001 0.000 0.270 83 Q C -0.739 175.292 176.000 0.052 0.000 1.002 83 Q CA -0.040 55.784 55.803 0.034 0.000 0.888 83 Q CB 0.265 29.009 28.738 0.010 0.000 1.222 83 Q HN 0.492 8.762 8.270 -0.000 0.000 0.400 84 H N 1.993 121.029 119.070 -0.055 0.000 2.505 84 H HA 0.375 4.930 4.556 -0.001 0.000 0.338 84 H C -1.286 173.921 175.328 -0.202 0.000 1.057 84 H CA -0.404 55.517 56.048 -0.213 0.000 1.202 84 H CB 1.249 30.712 29.762 -0.497 0.000 1.466 84 H HN 0.683 8.963 8.280 -0.000 0.000 0.499 85 T N 2.368 116.523 114.554 -0.666 0.000 2.829 85 T HA 0.680 5.030 4.350 -0.001 0.000 0.282 85 T C 0.752 175.029 174.700 -0.706 0.000 0.990 85 T CA 0.031 61.838 62.100 -0.489 0.000 1.028 85 T CB 1.380 70.100 68.868 -0.247 0.000 0.951 85 T HN 1.111 9.351 8.240 -0.000 0.000 0.460 86 G N 2.398 110.957 108.800 -0.402 0.000 2.443 86 G HA2 0.000 3.960 3.960 -0.001 0.000 0.209 86 G HA3 0.000 3.960 3.960 -0.001 0.000 0.209 86 G C -0.379 174.440 174.900 -0.135 0.000 1.176 86 G CA -0.466 44.481 45.100 -0.255 0.000 1.074 86 G HN 1.050 9.340 8.290 -0.000 0.000 0.577 87 T N 1.385 115.934 114.554 -0.009 0.000 2.806 87 T HA 0.594 4.943 4.350 -0.001 0.000 0.290 87 T C -0.385 174.434 174.700 0.197 0.000 0.966 87 T CA 0.133 62.321 62.100 0.146 0.000 1.060 87 T CB 0.902 69.847 68.868 0.127 0.000 0.927 87 T HN 0.442 8.682 8.240 -0.000 0.000 0.485 88 F N 2.469 122.525 119.950 0.176 0.000 2.394 88 F HA 0.592 5.119 4.527 -0.001 0.000 0.340 88 F C 0.904 176.930 175.800 0.376 0.000 1.105 88 F CA -0.740 57.358 58.000 0.163 0.000 1.124 88 F CB 1.058 39.921 39.000 -0.228 0.000 1.145 88 F HN 0.307 8.607 8.300 -0.000 0.000 0.505 89 R N 5.050 125.900 120.500 0.582 0.000 2.548 89 R HA 0.710 5.049 4.340 -0.001 0.000 0.280 89 R C -1.602 174.796 176.300 0.163 0.000 1.061 89 R CA -0.691 55.621 56.100 0.354 0.000 0.915 89 R CB 1.690 32.093 30.300 0.171 0.000 1.210 89 R HN 0.879 9.149 8.270 -0.000 0.000 0.442 90 M N 1.400 120.939 119.600 -0.102 0.000 2.569 90 M HA 0.590 5.069 4.480 -0.001 0.000 0.279 90 M C -1.557 174.545 176.300 -0.331 0.000 1.253 90 M CA -1.090 54.011 55.300 -0.331 0.000 0.867 90 M CB 2.780 34.917 32.600 -0.772 0.000 1.727 90 M HN 0.385 8.675 8.290 -0.000 0.000 0.467 91 R N 2.084 122.385 120.500 -0.333 0.000 2.534 91 R HA 0.803 5.142 4.340 -0.001 0.000 0.301 91 R C -0.923 175.085 176.300 -0.487 0.000 0.961 91 R CA -0.695 55.152 56.100 -0.421 0.000 0.871 91 R CB 2.201 32.241 30.300 -0.433 0.000 1.170 91 R HN 0.868 9.138 8.270 -0.000 0.000 0.446 92 I N -1.220 119.017 120.570 -0.556 0.000 2.607 92 I HA 0.575 4.744 4.170 -0.001 0.000 0.305 92 I C -1.136 174.681 176.117 -0.499 0.000 0.995 92 I CA -1.007 60.039 61.300 -0.424 0.000 1.148 92 I CB 1.291 39.038 38.000 -0.422 0.000 1.323 92 I HN 0.429 8.639 8.210 -0.000 0.000 0.461 93 Y N 2.105 122.358 120.300 -0.079 0.000 2.462 93 Y HA 0.338 4.887 4.550 -0.001 0.000 0.346 93 Y C 1.090 177.029 175.900 0.066 0.000 0.976 93 Y CA -0.635 57.465 58.100 0.000 0.000 1.044 93 Y CB 1.923 40.420 38.460 0.062 0.000 1.230 93 Y HN 0.667 8.947 8.280 -0.000 0.000 0.455 94 E N 1.667 121.997 120.200 0.217 0.000 2.035 94 E HA -0.192 4.158 4.350 -0.001 0.000 0.204 94 E C 0.062 176.801 176.600 0.231 0.000 1.025 94 E CA 1.583 58.095 56.400 0.186 0.000 0.835 94 E CB 0.180 29.962 29.700 0.137 0.000 0.764 94 E HN 0.552 8.912 8.360 -0.000 0.000 0.457 95 R N 0.964 121.591 120.500 0.211 0.000 2.856 95 R HA 0.132 4.471 4.340 -0.001 0.000 0.258 95 R C -0.264 176.159 176.300 0.205 0.000 1.066 95 R CA -0.782 55.402 56.100 0.140 0.000 1.045 95 R CB 0.598 30.930 30.300 0.053 0.000 1.178 95 R HN 0.113 8.383 8.270 -0.000 0.000 0.499 96 D N -0.409 120.080 120.400 0.150 0.000 2.371 96 D HA -0.044 4.595 4.640 -0.001 0.000 0.242 96 D C 0.183 176.512 176.300 0.047 0.000 1.218 96 D CA -0.204 53.886 54.000 0.149 0.000 0.945 96 D CB 0.265 41.126 40.800 0.101 0.000 1.137 96 D HN 0.539 8.909 8.370 -0.000 0.000 0.464 97 D N -1.479 118.902 120.400 -0.032 0.000 2.945 97 D HA -0.241 4.399 4.640 -0.001 0.000 0.225 97 D C -0.526 175.682 176.300 -0.152 0.000 1.158 97 D CA 0.353 54.238 54.000 -0.192 0.000 0.805 97 D CB -1.002 39.714 40.800 -0.140 0.000 1.098 97 D HN 0.384 8.754 8.370 -0.000 0.000 0.426 98 F N -2.063 117.652 119.950 -0.392 0.000 3.058 98 F HA -0.308 4.218 4.527 -0.001 0.000 0.295 98 F C 1.001 176.430 175.800 -0.618 0.000 0.875 98 F CA 0.771 58.157 58.000 -1.024 0.000 1.150 98 F CB -2.030 36.454 39.000 -0.860 0.000 1.175 98 F HN 0.201 8.501 8.300 -0.000 0.000 0.599 99 R N -0.592 119.883 120.500 -0.042 0.000 2.856 99 R HA 0.751 5.090 4.340 -0.001 0.000 0.258 99 R C 0.947 177.359 176.300 0.188 0.000 1.066 99 R CA -0.343 55.803 56.100 0.077 0.000 1.045 99 R CB 1.659 31.984 30.300 0.042 0.000 1.178 99 R HN 0.374 8.644 8.270 -0.000 0.000 0.499 100 G N 0.918 109.810 108.800 0.154 0.000 2.741 100 G HA2 -0.306 3.653 3.960 -0.001 0.000 0.222 100 G HA3 -0.306 3.653 3.960 -0.001 0.000 0.222 100 G C -0.719 174.285 174.900 0.173 0.000 1.364 100 G CA -0.392 44.795 45.100 0.144 0.000 0.866 100 G HN 0.620 8.910 8.290 -0.000 0.000 0.555 101 Q N -0.547 119.321 119.800 0.114 0.000 2.315 101 Q HA 0.416 4.756 4.340 -0.001 0.000 0.289 101 Q C 0.679 176.688 176.000 0.014 0.000 1.044 101 Q CA 0.240 56.086 55.803 0.070 0.000 0.920 101 Q CB 0.351 29.121 28.738 0.054 0.000 1.214 101 Q HN 0.665 8.935 8.270 -0.000 0.000 0.392 102 M N 2.799 122.349 119.600 -0.084 0.000 2.336 102 M HA 0.395 4.874 4.480 -0.001 0.000 0.342 102 M C -1.401 174.741 176.300 -0.264 0.000 1.128 102 M CA -0.146 54.925 55.300 -0.381 0.000 1.016 102 M CB 1.652 33.954 32.600 -0.496 0.000 1.665 102 M HN 0.653 8.943 8.290 -0.000 0.000 0.445 103 S N 3.386 118.881 115.700 -0.341 0.000 2.521 103 S HA 0.412 4.881 4.470 -0.001 0.000 0.295 103 S C -0.973 173.464 174.600 -0.271 0.000 1.098 103 S CA -0.762 57.317 58.200 -0.201 0.000 0.999 103 S CB 1.992 65.120 63.200 -0.119 0.000 1.034 103 S HN 0.713 9.023 8.310 -0.000 0.000 0.483 104 E N 2.430 122.547 120.200 -0.138 0.000 2.197 104 E HA 0.504 4.853 4.350 -0.001 0.000 0.281 104 E C -1.124 175.446 176.600 -0.050 0.000 0.995 104 E CA -0.405 55.918 56.400 -0.129 0.000 0.808 104 E CB 0.637 30.297 29.700 -0.068 0.000 1.093 104 E HN 0.512 8.872 8.360 -0.000 0.000 0.394 105 I N 3.391 123.900 120.570 -0.102 0.000 2.465 105 I HA 0.230 4.400 4.170 -0.001 0.000 0.291 105 I C 0.519 176.727 176.117 0.152 0.000 1.014 105 I CA -0.444 60.854 61.300 -0.003 0.000 1.093 105 I CB 2.054 39.956 38.000 -0.163 0.000 1.267 105 I HN 0.653 8.863 8.210 -0.000 0.000 0.431 106 T N -0.810 113.919 114.554 0.292 0.000 3.192 106 T HA 0.295 4.644 4.350 -0.001 0.000 0.295 106 T C -0.379 174.527 174.700 0.344 0.000 0.947 106 T CA -0.406 61.926 62.100 0.386 0.000 0.916 106 T CB -0.248 68.762 68.868 0.237 0.000 1.169 106 T HN 0.642 8.882 8.240 -0.000 0.000 0.540 107 D N -0.355 120.244 120.400 0.332 0.000 2.636 107 D HA 0.517 5.157 4.640 -0.001 0.000 0.275 107 D C -1.461 174.978 176.300 0.231 0.000 1.130 107 D CA -0.804 53.305 54.000 0.180 0.000 1.031 107 D CB 0.219 41.090 40.800 0.118 0.000 1.451 107 D HN -0.198 8.172 8.370 -0.000 0.000 0.505 108 D N -0.619 119.840 120.400 0.098 0.000 2.443 108 D HA 0.222 4.861 4.640 -0.001 0.000 0.239 108 D C -0.744 175.691 176.300 0.225 0.000 1.136 108 D CA 0.002 54.100 54.000 0.163 0.000 0.879 108 D CB 0.885 41.736 40.800 0.085 0.000 1.195 108 D HN 0.391 8.761 8.370 -0.000 0.000 0.443 109 C N 4.650 124.113 119.300 0.272 0.000 2.534 109 C HA 0.318 4.777 4.460 -0.001 0.000 0.309 109 C C -1.786 173.225 174.990 0.033 0.000 1.072 109 C CA -1.703 57.418 59.018 0.173 0.000 1.441 109 C CB 0.453 28.309 27.740 0.194 0.000 1.906 109 C HN 0.451 8.681 8.230 -0.000 0.000 0.429 110 P HA 0.044 4.464 4.420 -0.000 0.000 0.229 110 P C 0.183 177.298 177.300 -0.308 0.000 1.160 110 P CA 1.074 63.902 63.100 -0.454 0.000 0.777 110 P CB 0.278 31.809 31.700 -0.281 0.000 0.814 111 S N -1.141 114.483 115.700 -0.128 0.000 2.614 111 S HA 0.310 4.779 4.470 -0.001 0.000 0.259 111 S C 0.387 174.993 174.600 0.010 0.000 1.118 111 S CA -0.496 57.656 58.200 -0.080 0.000 1.065 111 S CB 0.001 63.148 63.200 -0.089 0.000 1.121 111 S HN -0.233 8.077 8.310 -0.000 0.000 0.458 112 L N 4.306 125.559 121.223 0.049 0.000 2.109 112 L HA 0.054 4.393 4.340 -0.001 0.000 0.207 112 L C 2.720 179.673 176.870 0.139 0.000 1.086 112 L CA 1.594 56.540 54.840 0.177 0.000 0.760 112 L CB -0.202 41.889 42.059 0.054 0.000 0.910 112 L HN 0.722 8.952 8.230 -0.000 0.000 0.437 113 Q N -0.408 119.411 119.800 0.032 0.000 2.045 113 Q HA -0.262 4.077 4.340 -0.001 0.000 0.206 113 Q C 1.774 177.686 176.000 -0.147 0.000 0.991 113 Q CA 2.006 57.800 55.803 -0.015 0.000 0.851 113 Q CB -0.119 28.609 28.738 -0.016 0.000 0.911 113 Q HN 0.490 8.760 8.270 -0.000 0.000 0.418 114 D N -0.552 119.763 120.400 -0.141 0.000 2.144 114 D HA -0.136 4.503 4.640 -0.001 0.000 0.199 114 D C 1.795 177.891 176.300 -0.340 0.000 0.984 114 D CA 1.133 55.002 54.000 -0.218 0.000 0.834 114 D CB -0.029 40.691 40.800 -0.134 0.000 0.955 114 D HN 0.090 8.460 8.370 -0.000 0.000 0.465 115 R N -1.564 118.765 120.500 -0.284 0.000 2.237 115 R HA 0.109 4.449 4.340 -0.001 0.000 0.195 115 R C 0.857 176.660 176.300 -0.829 0.000 0.956 115 R CA 0.363 56.147 56.100 -0.526 0.000 1.029 115 R CB 0.343 30.317 30.300 -0.544 0.000 0.972 115 R HN 0.083 8.353 8.270 -0.000 0.000 0.493 116 F N -1.452 118.406 119.950 -0.153 0.000 2.856 116 F HA 0.272 4.798 4.527 -0.001 0.000 0.338 116 F C -0.190 175.658 175.800 0.080 0.000 1.100 116 F CA -0.519 57.471 58.000 -0.018 0.000 1.150 116 F CB 0.581 39.569 39.000 -0.020 0.000 1.101 116 F HN -0.011 8.289 8.300 -0.000 0.000 0.548 117 H N 0.843 119.987 119.070 0.124 0.000 2.756 117 H HA -0.129 4.426 4.556 -0.001 0.000 0.315 117 H C -0.411 174.974 175.328 0.095 0.000 1.210 117 H CA 0.497 56.593 56.048 0.079 0.000 1.150 117 H CB -1.825 27.966 29.762 0.050 0.000 1.463 117 H HN 0.259 8.539 8.280 -0.000 0.000 0.427 118 L N 0.208 121.534 121.223 0.172 0.000 2.362 118 L HA 0.288 4.627 4.340 -0.001 0.000 0.271 118 L C 1.426 178.339 176.870 0.072 0.000 1.002 118 L CA -0.138 54.774 54.840 0.120 0.000 0.818 118 L CB 2.053 44.166 42.059 0.090 0.000 1.298 118 L HN 0.161 8.391 8.230 -0.000 0.000 0.420 119 T N -2.666 111.925 114.554 0.061 0.000 2.971 119 T HA 0.281 4.630 4.350 -0.001 0.000 0.252 119 T C 0.337 175.047 174.700 0.017 0.000 1.022 119 T CA -0.130 61.992 62.100 0.037 0.000 0.980 119 T CB 0.355 69.248 68.868 0.041 0.000 1.044 119 T HN 0.498 8.738 8.240 -0.000 0.000 0.501 120 E N 0.713 120.927 120.200 0.023 0.000 2.317 120 E HA 0.651 5.000 4.350 -0.001 0.000 0.270 120 E C -1.732 174.860 176.600 -0.013 0.000 0.885 120 E CA -0.958 55.423 56.400 -0.031 0.000 0.760 120 E CB 3.233 32.916 29.700 -0.029 0.000 1.227 120 E HN -0.060 8.300 8.360 -0.000 0.000 0.434 121 V N 2.254 122.129 119.914 -0.064 0.000 2.483 121 V HA 0.176 4.295 4.120 -0.001 0.000 0.297 121 V C -0.496 175.652 176.094 0.090 0.000 1.027 121 V CA -0.531 61.788 62.300 0.031 0.000 0.855 121 V CB 1.330 33.130 31.823 -0.039 0.000 0.995 121 V HN 0.760 8.950 8.190 -0.000 0.000 0.424 122 H N 1.876 121.105 119.070 0.265 0.000 2.586 122 H HA 0.404 4.960 4.556 -0.001 0.000 0.273 122 H C 0.604 176.141 175.328 0.349 0.000 0.997 122 H CA 0.753 56.975 56.048 0.290 0.000 1.177 122 H CB 0.697 30.572 29.762 0.187 0.000 1.471 122 H HN 0.732 9.012 8.280 -0.000 0.000 0.538 123 S N -0.081 115.929 115.700 0.518 0.000 2.678 123 S HA 0.453 4.922 4.470 -0.001 0.000 0.290 123 S C -1.776 173.153 174.600 0.548 0.000 1.047 123 S CA -1.183 57.365 58.200 0.581 0.000 0.851 123 S CB 0.595 64.094 63.200 0.497 0.000 1.058 123 S HN 0.221 8.531 8.310 -0.000 0.000 0.451 124 L N -0.456 121.101 121.223 0.557 0.000 2.518 124 L HA 0.769 5.108 4.340 -0.001 0.000 0.257 124 L C -0.952 176.096 176.870 0.296 0.000 0.980 124 L CA -0.819 54.169 54.840 0.247 0.000 0.837 124 L CB 1.849 43.851 42.059 -0.095 0.000 1.410 124 L HN 0.879 9.109 8.230 -0.000 0.000 0.410 125 N N 0.725 119.436 118.700 0.019 0.000 2.524 125 N HA 0.573 5.312 4.740 -0.001 0.000 0.261 125 N C -1.493 174.020 175.510 0.005 0.000 0.998 125 N CA -0.607 52.483 53.050 0.067 0.000 0.915 125 N CB 1.855 40.242 38.487 -0.166 0.000 1.187 125 N HN 0.583 8.963 8.380 -0.000 0.000 0.507 126 V N 5.727 125.711 119.914 0.117 0.000 2.372 126 V HA 0.104 4.223 4.120 -0.001 0.000 0.261 126 V C 1.295 177.441 176.094 0.086 0.000 1.055 126 V CA -0.056 62.270 62.300 0.044 0.000 0.930 126 V CB 0.769 32.673 31.823 0.135 0.000 1.031 126 V HN 0.749 8.939 8.190 -0.000 0.000 0.479 127 L N 3.266 124.517 121.223 0.047 0.000 2.168 127 L HA 0.290 4.629 4.340 -0.001 0.000 0.203 127 L C 0.740 177.624 176.870 0.023 0.000 1.078 127 L CA 0.907 55.773 54.840 0.043 0.000 0.780 127 L CB 0.246 42.322 42.059 0.029 0.000 0.939 127 L HN 0.569 8.799 8.230 -0.000 0.000 0.451 128 E N -1.226 118.995 120.200 0.034 0.000 2.308 128 E HA 0.505 4.855 4.350 -0.001 0.000 0.275 128 E C -0.422 176.029 176.600 -0.248 0.000 0.890 128 E CA -0.066 56.239 56.400 -0.159 0.000 0.754 128 E CB 2.200 31.822 29.700 -0.130 0.000 1.207 128 E HN 0.152 8.512 8.360 -0.000 0.000 0.426 129 G N 1.540 109.900 108.800 -0.732 0.000 2.860 129 G HA2 -0.203 3.756 3.960 -0.001 0.000 0.553 129 G HA3 -0.203 3.756 3.960 -0.001 0.000 0.553 129 G C -0.467 174.454 174.900 0.035 0.000 1.439 129 G CA -0.486 44.203 45.100 -0.686 0.000 0.879 129 G HN 0.423 8.713 8.290 -0.000 0.000 0.545 130 S N -0.210 115.564 115.700 0.123 0.000 2.525 130 S HA 0.799 5.268 4.470 -0.001 0.000 0.290 130 S C -0.711 173.917 174.600 0.047 0.000 1.152 130 S CA -0.160 58.139 58.200 0.165 0.000 1.072 130 S CB 1.076 64.319 63.200 0.071 0.000 1.027 130 S HN 0.595 8.905 8.310 -0.000 0.000 0.500 131 W N 0.529 121.787 121.300 -0.069 0.000 2.975 131 W HA 0.656 5.315 4.660 -0.001 0.000 0.342 131 W C -1.201 175.163 176.519 -0.257 0.000 1.168 131 W CA -0.789 56.455 57.345 -0.169 0.000 1.141 131 W CB 0.823 30.194 29.460 -0.149 0.000 1.445 131 W HN 0.264 8.444 8.180 -0.000 0.000 0.560 132 V N 3.005 122.878 119.914 -0.067 0.000 2.448 132 V HA 0.408 4.528 4.120 -0.001 0.000 0.295 132 V C -0.583 175.415 176.094 -0.159 0.000 1.025 132 V CA -1.106 61.048 62.300 -0.243 0.000 0.859 132 V CB 1.301 32.824 31.823 -0.500 0.000 0.988 132 V HN 0.474 8.664 8.190 -0.000 0.000 0.431 133 L N 5.607 126.691 121.223 -0.232 0.000 2.275 133 L HA 0.582 4.921 4.340 -0.001 0.000 0.288 133 L C -1.294 175.471 176.870 -0.174 0.000 1.046 133 L CA -0.218 54.524 54.840 -0.164 0.000 0.805 133 L CB 0.807 42.674 42.059 -0.320 0.000 1.193 133 L HN 0.573 8.803 8.230 -0.000 0.000 0.426 134 Y N 2.809 123.154 120.300 0.075 0.000 2.377 134 Y HA 0.167 4.717 4.550 -0.001 0.000 0.339 134 Y C 1.058 177.020 175.900 0.104 0.000 1.011 134 Y CA -0.518 57.645 58.100 0.107 0.000 1.093 134 Y CB 1.642 40.181 38.460 0.132 0.000 1.201 134 Y HN 0.652 8.932 8.280 -0.000 0.000 0.455 135 E N 2.427 122.793 120.200 0.276 0.000 2.204 135 E HA -0.110 4.239 4.350 -0.001 0.000 0.195 135 E C -0.313 176.378 176.600 0.153 0.000 0.990 135 E CA 1.083 57.616 56.400 0.220 0.000 0.821 135 E CB 0.274 30.108 29.700 0.223 0.000 0.750 135 E HN 0.676 9.036 8.360 -0.000 0.000 0.477 136 M N -0.033 119.662 119.600 0.159 0.000 2.619 136 M HA 0.395 4.874 4.480 -0.001 0.000 0.297 136 M C -2.515 173.794 176.300 0.016 0.000 1.229 136 M CA -2.647 52.702 55.300 0.083 0.000 0.860 136 M CB 2.501 35.152 32.600 0.085 0.000 1.741 136 M HN -0.266 8.024 8.290 -0.000 0.000 0.462 137 P HA 0.069 4.489 4.420 -0.000 0.000 0.268 137 P C -0.474 176.693 177.300 -0.221 0.000 1.208 137 P CA 0.495 63.517 63.100 -0.131 0.000 0.777 137 P CB 0.486 32.132 31.700 -0.090 0.000 0.875 138 S N 0.330 115.768 115.700 -0.436 0.000 3.698 138 S HA -0.208 4.261 4.470 -0.001 0.000 0.338 138 S C -0.302 174.012 174.600 -0.478 0.000 1.089 138 S CA 0.791 58.678 58.200 -0.522 0.000 0.991 138 S CB -2.493 60.589 63.200 -0.196 0.000 0.909 138 S HN 0.500 8.810 8.310 -0.000 0.000 0.485 139 Y N -2.253 117.813 120.300 -0.389 0.000 3.125 139 Y HA -0.265 4.284 4.550 -0.001 0.000 0.200 139 Y C 0.541 176.182 175.900 -0.432 0.000 1.373 139 Y CA 0.896 58.377 58.100 -1.032 0.000 1.180 139 Y CB -1.905 35.873 38.460 -1.136 0.000 1.381 139 Y HN 0.522 8.802 8.280 -0.000 0.000 0.501 140 R N -0.236 120.273 120.500 0.015 0.000 2.919 140 R HA 0.812 5.151 4.340 -0.001 0.000 0.260 140 R C 0.888 177.348 176.300 0.266 0.000 1.067 140 R CA -0.487 55.714 56.100 0.169 0.000 1.003 140 R CB 1.954 32.308 30.300 0.091 0.000 1.192 140 R HN 0.589 8.859 8.270 -0.000 0.000 0.488 141 G N 0.714 109.658 108.800 0.240 0.000 2.632 141 G HA2 -0.229 3.730 3.960 -0.001 0.000 0.224 141 G HA3 -0.229 3.730 3.960 -0.001 0.000 0.224 141 G C -1.018 174.007 174.900 0.207 0.000 1.341 141 G CA -0.819 44.410 45.100 0.214 0.000 0.880 141 G HN 0.469 8.759 8.290 -0.000 0.000 0.566 142 R N 0.672 121.246 120.500 0.123 0.000 2.590 142 R HA 0.237 4.576 4.340 -0.001 0.000 0.274 142 R C 0.284 176.421 176.300 -0.271 0.000 1.061 142 R CA 0.304 56.357 56.100 -0.078 0.000 1.081 142 R CB 0.249 30.475 30.300 -0.124 0.000 0.984 142 R HN 0.655 8.925 8.270 -0.000 0.000 0.448 143 Q N 2.274 121.772 119.800 -0.502 0.000 2.282 143 Q HA 0.402 4.741 4.340 -0.001 0.000 0.260 143 Q C -1.271 174.241 176.000 -0.814 0.000 0.964 143 Q CA -0.550 54.903 55.803 -0.583 0.000 0.880 143 Q CB 1.763 30.268 28.738 -0.387 0.000 1.286 143 Q HN 0.448 8.718 8.270 -0.000 0.000 0.445 144 Y N 0.847 121.031 120.300 -0.194 0.000 2.346 144 Y HA 0.304 4.854 4.550 -0.001 0.000 0.332 144 Y C -0.715 175.104 175.900 -0.135 0.000 0.985 144 Y CA -1.005 57.048 58.100 -0.078 0.000 1.112 144 Y CB 1.331 39.824 38.460 0.055 0.000 1.170 144 Y HN 0.534 8.814 8.280 -0.000 0.000 0.447 145 L N 5.062 126.336 121.223 0.086 0.000 2.361 145 L HA 0.385 4.724 4.340 -0.001 0.000 0.278 145 L C -1.046 175.867 176.870 0.072 0.000 1.113 145 L CA 0.144 55.010 54.840 0.044 0.000 0.849 145 L CB 0.051 42.172 42.059 0.103 0.000 1.155 145 L HN 0.563 8.793 8.230 -0.000 0.000 0.452 146 L N 6.727 127.947 121.223 -0.004 0.000 2.277 146 L HA 0.525 4.864 4.340 -0.001 0.000 0.284 146 L C 0.201 177.157 176.870 0.144 0.000 1.028 146 L CA -0.491 54.322 54.840 -0.044 0.000 0.835 146 L CB 0.770 42.670 42.059 -0.264 0.000 1.215 146 L HN 0.637 8.867 8.230 -0.000 0.000 0.425 147 R N 2.944 123.601 120.500 0.262 0.000 2.573 147 R HA 0.466 4.806 4.340 -0.001 0.000 0.272 147 R C -2.391 174.079 176.300 0.282 0.000 1.009 147 R CA -1.917 54.320 56.100 0.228 0.000 1.059 147 R CB 0.565 30.963 30.300 0.163 0.000 1.112 147 R HN 0.254 8.524 8.270 -0.000 0.000 0.517 148 P HA 0.047 4.467 4.420 -0.000 0.000 0.264 148 P C -0.239 177.146 177.300 0.142 0.000 1.183 148 P CA 0.639 63.829 63.100 0.150 0.000 0.763 148 P CB 0.622 32.358 31.700 0.059 0.000 0.807 149 G N 1.774 110.666 108.800 0.152 0.000 2.369 149 G HA2 0.037 3.996 3.960 -0.001 0.000 0.295 149 G HA3 0.037 3.996 3.960 -0.001 0.000 0.295 149 G C -1.768 173.182 174.900 0.083 0.000 1.298 149 G CA -0.784 44.347 45.100 0.051 0.000 0.940 149 G HN 0.417 8.707 8.290 -0.000 0.000 0.536 150 E N -0.331 119.832 120.200 -0.062 0.000 2.175 150 E HA 0.517 4.866 4.350 -0.001 0.000 0.278 150 E C -1.439 175.048 176.600 -0.188 0.000 0.969 150 E CA -0.475 55.988 56.400 0.105 0.000 0.796 150 E CB 1.853 31.592 29.700 0.066 0.000 1.104 150 E HN 0.393 8.753 8.360 -0.000 0.000 0.395 151 Y N 1.773 122.255 120.300 0.302 0.000 2.749 151 Y HA 0.231 4.780 4.550 -0.001 0.000 0.343 151 Y C 1.004 177.062 175.900 0.262 0.000 1.015 151 Y CA -0.659 57.610 58.100 0.280 0.000 1.270 151 Y CB 0.673 39.430 38.460 0.495 0.000 1.097 151 Y HN 0.349 8.629 8.280 -0.000 0.000 0.571 152 R N 1.751 122.289 120.500 0.063 0.000 2.285 152 R HA 0.054 4.394 4.340 -0.001 0.000 0.213 152 R C -0.024 176.269 176.300 -0.012 0.000 1.068 152 R CA 0.564 56.592 56.100 -0.121 0.000 1.004 152 R CB -0.007 30.111 30.300 -0.303 0.000 0.873 152 R HN 0.658 8.928 8.270 -0.000 0.000 0.467 153 R N -1.789 118.701 120.500 -0.016 0.000 2.664 153 R HA 0.067 4.407 4.340 -0.001 0.000 0.266 153 R C 0.430 176.419 176.300 -0.517 0.000 1.046 153 R CA -0.779 55.234 56.100 -0.145 0.000 0.885 153 R CB 0.055 30.208 30.300 -0.246 0.000 1.254 153 R HN -0.074 8.196 8.270 -0.000 0.000 0.465 154 Y N 0.354 120.194 120.300 -0.766 0.000 2.241 154 Y HA -0.094 4.455 4.550 -0.001 0.000 0.286 154 Y C 1.436 176.484 175.900 -1.420 0.000 1.166 154 Y CA 1.181 58.197 58.100 -1.806 0.000 1.203 154 Y CB -0.448 37.442 38.460 -0.950 0.000 0.977 154 Y HN 0.513 8.793 8.280 -0.000 0.000 0.529 155 L N 0.518 120.913 121.223 -1.380 0.000 2.187 155 L HA -0.204 4.135 4.340 -0.001 0.000 0.213 155 L C 1.726 178.282 176.870 -0.525 0.000 1.100 155 L CA 1.356 55.655 54.840 -0.902 0.000 0.765 155 L CB -0.482 41.123 42.059 -0.755 0.000 0.904 155 L HN 0.271 8.501 8.230 -0.000 0.000 0.437 156 D N -0.931 119.201 120.400 -0.446 0.000 2.269 156 D HA -0.159 4.481 4.640 -0.001 0.000 0.208 156 D C 1.342 177.764 176.300 0.203 0.000 0.963 156 D CA 0.857 54.802 54.000 -0.090 0.000 0.864 156 D CB -0.018 40.799 40.800 0.028 0.000 0.936 156 D HN 0.605 8.975 8.370 -0.000 0.000 0.505 157 W N -0.521 120.862 121.300 0.139 0.000 3.102 157 W HA 0.507 5.166 4.660 -0.001 0.000 0.401 157 W C 0.986 177.484 176.519 -0.034 0.000 1.070 157 W CA -0.349 57.050 57.345 0.089 0.000 1.921 157 W CB -0.443 28.928 29.460 -0.147 0.000 1.118 157 W HN -0.036 8.144 8.180 -0.000 0.000 0.647 158 G N 0.424 109.189 108.800 -0.059 0.000 2.143 158 G HA2 -0.049 3.910 3.960 -0.001 0.000 0.248 158 G HA3 -0.049 3.910 3.960 -0.001 0.000 0.248 158 G C 0.432 175.268 174.900 -0.107 0.000 0.991 158 G CA -0.024 45.076 45.100 -0.001 0.000 0.689 158 G HN 0.909 9.199 8.290 -0.000 0.000 0.522 159 A N -1.822 120.714 122.820 -0.474 0.000 2.252 159 A HA 0.983 5.302 4.320 -0.001 0.000 0.305 159 A C 1.480 179.051 177.584 -0.021 0.000 1.097 159 A CA 0.742 52.523 52.037 -0.427 0.000 0.849 159 A CB 0.778 19.410 19.000 -0.613 0.000 1.142 159 A HN 1.652 9.802 8.150 -0.000 0.000 0.499 160 M N 0.253 119.890 119.600 0.063 0.000 2.414 160 M HA 0.296 4.775 4.480 -0.001 0.000 0.251 160 M C 0.320 176.627 176.300 0.013 0.000 1.116 160 M CA 1.408 56.776 55.300 0.114 0.000 1.056 160 M CB -1.410 31.228 32.600 0.063 0.000 1.388 160 M HN 1.084 9.374 8.290 -0.000 0.000 0.487 161 N N -2.539 116.009 118.700 -0.254 0.000 2.934 161 N HA 0.694 5.433 4.740 -0.001 0.000 0.253 161 N C -0.076 174.945 175.510 -0.814 0.000 1.466 161 N CA -0.100 52.517 53.050 -0.722 0.000 0.858 161 N CB 0.837 39.140 38.487 -0.307 0.000 1.459 161 N HN 0.094 8.474 8.380 -0.000 0.000 0.532 162 A N -0.924 121.398 122.820 -0.829 0.000 2.278 162 A HA 0.124 4.443 4.320 -0.001 0.000 0.212 162 A C 0.064 177.525 177.584 -0.205 0.000 1.213 162 A CA -0.037 51.690 52.037 -0.518 0.000 0.840 162 A CB -0.442 17.980 19.000 -0.962 0.000 0.866 162 A HN 0.429 8.579 8.150 -0.000 0.000 0.489 163 K N 0.696 121.014 120.400 -0.137 0.000 2.436 163 K HA 0.320 4.639 4.320 -0.001 0.000 0.282 163 K C -1.135 175.485 176.600 0.034 0.000 1.044 163 K CA 0.284 56.552 56.287 -0.033 0.000 1.028 163 K CB 0.858 33.355 32.500 -0.005 0.000 0.919 163 K HN 0.058 8.308 8.250 -0.000 0.000 0.474 164 V N 2.335 122.258 119.914 0.015 0.000 2.488 164 V HA 0.184 4.304 4.120 -0.001 0.000 0.293 164 V C 0.803 176.901 176.094 0.007 0.000 1.027 164 V CA -0.605 61.700 62.300 0.009 0.000 0.862 164 V CB 1.627 33.407 31.823 -0.071 0.000 1.008 164 V HN 1.036 9.226 8.190 -0.000 0.000 0.428 165 G N 3.174 111.999 108.800 0.041 0.000 2.576 165 G HA2 0.339 4.299 3.960 -0.001 0.000 0.210 165 G HA3 0.339 4.299 3.960 -0.001 0.000 0.210 165 G C 0.411 175.300 174.900 -0.019 0.000 1.143 165 G CA 0.858 45.968 45.100 0.016 0.000 0.819 165 G HN 0.835 9.125 8.290 -0.000 0.000 0.534 166 S N -1.316 114.400 115.700 0.026 0.000 2.596 166 S HA 0.753 5.223 4.470 -0.001 0.000 0.270 166 S C -1.471 173.247 174.600 0.196 0.000 1.155 166 S CA -0.826 57.370 58.200 -0.006 0.000 0.827 166 S CB 1.994 64.997 63.200 -0.329 0.000 1.130 166 S HN 0.110 8.420 8.310 -0.000 0.000 0.467 167 L N 0.853 122.229 121.223 0.254 0.000 2.431 167 L HA 0.701 5.041 4.340 -0.001 0.000 0.266 167 L C -0.456 176.715 176.870 0.501 0.000 0.978 167 L CA -0.582 54.463 54.840 0.342 0.000 0.822 167 L CB 2.304 44.452 42.059 0.149 0.000 1.310 167 L HN 0.757 8.987 8.230 -0.000 0.000 0.409 168 R N 2.418 123.180 120.500 0.436 0.000 2.574 168 R HA 0.494 4.834 4.340 -0.001 0.000 0.288 168 R C -1.026 175.152 176.300 -0.202 0.000 1.004 168 R CA -0.876 55.296 56.100 0.120 0.000 0.895 168 R CB 1.988 32.274 30.300 -0.023 0.000 1.191 168 R HN 0.641 8.911 8.270 -0.000 0.000 0.444 169 R N 1.866 121.969 120.500 -0.662 0.000 2.442 169 R HA 0.128 4.467 4.340 -0.001 0.000 0.291 169 R C -0.067 175.693 176.300 -0.901 0.000 1.069 169 R CA -0.266 55.040 56.100 -1.325 0.000 1.022 169 R CB 0.906 30.022 30.300 -1.973 0.000 0.976 169 R HN 0.251 8.521 8.270 -0.000 0.000 0.443 170 V N 6.052 125.535 119.914 -0.718 0.000 2.359 170 V HA 0.031 4.150 4.120 -0.001 0.000 0.248 170 V C 0.349 176.305 176.094 -0.229 0.000 1.091 170 V CA 0.847 62.910 62.300 -0.396 0.000 1.103 170 V CB -0.560 31.137 31.823 -0.209 0.000 1.176 170 V HN 0.673 8.863 8.190 -0.000 0.000 0.488 171 M N 3.156 122.611 119.600 -0.242 0.000 2.530 171 M HA 0.460 4.939 4.480 -0.001 0.000 0.307 171 M C -0.211 176.014 176.300 -0.125 0.000 1.161 171 M CA -0.609 54.609 55.300 -0.136 0.000 0.903 171 M CB 2.238 34.701 32.600 -0.227 0.000 1.711 171 M HN 0.411 8.701 8.290 -0.000 0.000 0.451 172 D N 0.728 121.080 120.400 -0.080 0.000 2.398 172 D HA 0.315 4.954 4.640 -0.001 0.000 0.247 172 D C -0.539 175.666 176.300 -0.159 0.000 1.227 172 D CA 0.107 54.028 54.000 -0.131 0.000 0.980 172 D CB 0.791 41.591 40.800 -0.001 0.000 1.106 172 D HN 0.200 8.570 8.370 -0.000 0.000 0.493 173 F N 0.000 119.964 119.950 0.024 0.000 2.286 173 F HA 0.000 4.526 4.527 -0.001 0.000 0.279 173 F CA 0.000 58.006 58.000 0.009 0.000 1.383 173 F CB 0.000 39.003 39.000 0.005 0.000 1.145 173 F HN 0.000 8.300 8.300 -0.000 0.000 0.574