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 1euz_1_B DATA FIRST_RESID 4 DATA SEQUENCE IDPFEMAVKQ LERAAQYMDI SEEALEWLKK PMRIVEVSVP IEMDDGSVKV DATA SEQUENCE FTGFRVQHNW ARGPTKGGIR WHPAETLSTV KALATWMTWK VAVVDLPYGG DATA SEQUENCE GKGGIIVNPK ELSEREQERL ARAYIRAVYD VIGPWTDIPA PDVYTNPKIM DATA SEQUENCE GWMMDEYETI MRRKGPAFGV ITGKPLSIGG SLGRGTATAQ GAIFTIREAA DATA SEQUENCE KALGIDLKGK KIAVQGYGNA GYYTAKLAKE QLGMTVVAVS DSRGGIYNPD DATA SEQUENCE GLDPDEVLKW KREHGSVKDF PGATNITNEE LLELEVDVLA PAAIEEVITE DATA SEQUENCE KNADNIKAKI VAEVANGPVT PEADDILREK GILQIPDFLC NAGGVTVSYF DATA SEQUENCE EWVQNINGYY WTEEEVREKL DKKMTKAFWE VYNTHKDKNI HMRDAAYVVA DATA SEQUENCE VSRVYQAMKD RGWVKK 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 4 I HA 0.000 nan 4.170 nan 0.000 0.288 4 I C 0.000 176.175 176.117 0.097 0.000 1.063 4 I CA 0.000 61.355 61.300 0.092 0.000 1.566 4 I CB 0.000 38.020 38.000 0.033 0.000 1.214 5 D N 0.131 120.557 120.400 0.043 0.000 2.097 5 D HA -0.029 4.611 4.640 0.000 0.000 0.195 5 D C -0.527 175.779 176.300 0.009 0.000 0.989 5 D CA 2.713 56.723 54.000 0.016 0.000 0.827 5 D CB -0.585 40.216 40.800 0.001 0.000 0.966 5 D HN 0.506 nan 8.370 nan 0.000 0.456 6 P HA -0.095 nan 4.420 nan 0.000 0.215 6 P C 1.297 178.626 177.300 0.048 0.000 1.153 6 P CA 0.830 63.930 63.100 0.000 0.000 0.853 6 P CB -0.200 31.491 31.700 -0.014 0.000 0.788 7 F N 1.246 121.157 119.950 -0.066 0.000 2.102 7 F HA -0.181 4.346 4.527 0.000 0.000 0.298 7 F C 2.462 178.245 175.800 -0.027 0.000 1.105 7 F CA 2.165 60.133 58.000 -0.052 0.000 1.239 7 F CB -1.206 37.762 39.000 -0.054 0.000 0.991 7 F HN -0.063 nan 8.300 nan 0.000 0.474 8 E N 0.732 120.847 120.200 -0.141 0.000 2.153 8 E HA -0.263 4.087 4.350 0.000 0.000 0.194 8 E C 2.247 178.738 176.600 -0.182 0.000 0.988 8 E CA 1.577 57.842 56.400 -0.227 0.000 0.811 8 E CB -1.018 28.634 29.700 -0.080 0.000 0.746 8 E HN 0.651 nan 8.360 nan 0.000 0.466 9 M N -0.232 119.300 119.600 -0.112 0.000 2.108 9 M HA -0.076 4.404 4.480 0.000 0.000 0.261 9 M C 2.667 178.909 176.300 -0.096 0.000 1.066 9 M CA 1.840 57.086 55.300 -0.090 0.000 1.107 9 M CB -0.165 32.393 32.600 -0.072 0.000 1.356 9 M HN 0.462 nan 8.290 nan 0.000 0.406 10 A N -0.608 122.145 122.820 -0.111 0.000 1.877 10 A HA -0.127 4.193 4.320 0.000 0.000 0.216 10 A C 2.001 179.541 177.584 -0.074 0.000 1.186 10 A CA 1.787 53.798 52.037 -0.043 0.000 0.620 10 A CB -1.126 17.868 19.000 -0.010 0.000 0.822 10 A HN 0.388 nan 8.150 nan 0.000 0.443 11 V N 0.370 120.109 119.914 -0.293 0.000 2.469 11 V HA -0.256 3.864 4.120 0.000 0.000 0.251 11 V C 2.566 178.580 176.094 -0.134 0.000 1.064 11 V CA 2.205 64.350 62.300 -0.258 0.000 1.066 11 V CB -0.578 30.974 31.823 -0.452 0.000 0.667 11 V HN 0.453 nan 8.190 nan 0.000 0.461 12 K N 0.275 120.597 120.400 -0.130 0.000 2.062 12 K HA -0.158 4.162 4.320 0.000 0.000 0.205 12 K C 2.283 178.822 176.600 -0.102 0.000 1.051 12 K CA 1.645 57.872 56.287 -0.099 0.000 0.941 12 K CB -0.272 32.177 32.500 -0.086 0.000 0.719 12 K HN 0.757 nan 8.250 nan 0.000 0.440 13 Q N 0.610 120.353 119.800 -0.095 0.000 2.291 13 Q HA -0.121 4.219 4.340 0.000 0.000 0.205 13 Q C 2.092 177.877 176.000 -0.358 0.000 0.970 13 Q CA 0.800 56.501 55.803 -0.171 0.000 0.876 13 Q CB -0.373 28.328 28.738 -0.061 0.000 0.935 13 Q HN 0.107 nan 8.270 nan 0.000 0.455 14 L N 1.552 122.666 121.223 -0.182 0.000 2.005 14 L HA -0.128 4.212 4.340 0.000 0.000 0.207 14 L C 1.989 178.741 176.870 -0.196 0.000 1.072 14 L CA 1.942 56.660 54.840 -0.203 0.000 0.744 14 L CB -0.409 41.686 42.059 0.061 0.000 0.895 14 L HN 0.116 nan 8.230 nan 0.000 0.433 15 E N -0.828 119.298 120.200 -0.123 0.000 2.118 15 E HA -0.226 4.124 4.350 0.000 0.000 0.195 15 E C 2.104 178.642 176.600 -0.103 0.000 0.992 15 E CA 1.013 57.353 56.400 -0.099 0.000 0.804 15 E CB -0.081 29.573 29.700 -0.077 0.000 0.741 15 E HN 0.333 nan 8.360 nan 0.000 0.458 16 R N 0.324 120.756 120.500 -0.114 0.000 2.115 16 R HA 0.004 4.345 4.340 0.000 0.000 0.230 16 R C 1.986 178.301 176.300 0.025 0.000 1.111 16 R CA 1.183 57.250 56.100 -0.056 0.000 0.976 16 R CB -0.944 29.322 30.300 -0.057 0.000 0.870 16 R HN 0.179 nan 8.270 nan 0.000 0.445 17 A N 0.716 123.465 122.820 -0.118 0.000 2.016 17 A HA 0.163 4.483 4.320 0.000 0.000 0.217 17 A C 2.212 179.839 177.584 0.072 0.000 1.162 17 A CA 1.085 53.110 52.037 -0.020 0.000 0.662 17 A CB -0.437 18.296 19.000 -0.445 0.000 0.812 17 A HN 0.260 nan 8.150 nan 0.000 0.450 18 A N -0.990 121.792 122.820 -0.064 0.000 2.076 18 A HA -0.020 4.300 4.320 0.000 0.000 0.220 18 A C 2.230 179.760 177.584 -0.090 0.000 1.160 18 A CA 2.237 54.230 52.037 -0.073 0.000 0.653 18 A CB -0.980 17.959 19.000 -0.101 0.000 0.801 18 A HN 0.879 nan 8.150 nan 0.000 0.455 19 Q N -1.972 117.742 119.800 -0.144 0.000 2.541 19 Q HA -0.052 4.288 4.340 0.000 0.000 0.215 19 Q C 1.315 176.926 176.000 -0.649 0.000 0.977 19 Q CA 1.470 57.049 55.803 -0.374 0.000 0.934 19 Q CB -1.093 27.371 28.738 -0.457 0.000 0.988 19 Q HN 0.926 nan 8.270 nan 0.000 0.521 20 Y N -0.997 119.277 120.300 -0.043 0.000 2.500 20 Y HA 0.423 4.973 4.550 0.000 0.000 0.246 20 Y C 0.700 176.593 175.900 -0.011 0.000 1.146 20 Y CA -0.198 57.889 58.100 -0.020 0.000 1.230 20 Y CB 0.611 39.066 38.460 -0.008 0.000 1.214 20 Y HN 0.479 nan 8.280 nan 0.000 0.526 21 M N -2.507 117.124 119.600 0.051 0.000 2.618 21 M HA 0.728 5.208 4.480 0.000 0.000 0.281 21 M C -1.020 175.293 176.300 0.022 0.000 1.267 21 M CA -0.886 54.446 55.300 0.053 0.000 0.845 21 M CB 1.241 33.885 32.600 0.074 0.000 1.732 21 M HN -0.095 nan 8.290 nan 0.000 0.461 22 D N 2.057 122.490 120.400 0.054 0.000 2.347 22 D HA 0.673 5.313 4.640 0.000 0.000 0.235 22 D C -1.060 175.315 176.300 0.125 0.000 1.149 22 D CA -0.391 53.646 54.000 0.061 0.000 0.850 22 D CB 0.953 41.792 40.800 0.066 0.000 1.061 22 D HN 0.746 nan 8.370 nan 0.000 0.487 23 I N 1.258 121.834 120.570 0.009 0.000 2.607 23 I HA 0.415 4.585 4.170 0.000 0.000 0.290 23 I C 0.462 176.483 176.117 -0.159 0.000 1.129 23 I CA -0.667 60.518 61.300 -0.192 0.000 1.042 23 I CB 2.071 39.804 38.000 -0.446 0.000 1.242 23 I HN 0.475 nan 8.210 nan 0.000 0.421 24 S N 5.249 120.890 115.700 -0.099 0.000 2.569 24 S HA 0.073 4.543 4.470 0.000 0.000 0.274 24 S C 0.894 175.458 174.600 -0.061 0.000 1.353 24 S CA -0.104 58.089 58.200 -0.013 0.000 1.023 24 S CB 1.196 64.448 63.200 0.087 0.000 0.876 24 S HN 0.789 nan 8.310 nan 0.000 0.540 25 E N 1.307 121.499 120.200 -0.013 0.000 2.150 25 E HA -0.160 4.190 4.350 0.000 0.000 0.193 25 E C 2.072 178.688 176.600 0.027 0.000 0.985 25 E CA 1.481 57.879 56.400 -0.005 0.000 0.814 25 E CB -0.207 29.497 29.700 0.005 0.000 0.752 25 E HN 0.987 nan 8.360 nan 0.000 0.466 26 E N -0.025 120.207 120.200 0.054 0.000 2.204 26 E HA -0.091 4.260 4.350 0.000 0.000 0.194 26 E C 1.917 178.606 176.600 0.148 0.000 0.989 26 E CA 1.038 57.502 56.400 0.108 0.000 0.824 26 E CB -0.093 29.681 29.700 0.124 0.000 0.756 26 E HN 0.112 nan 8.360 nan 0.000 0.477 27 A N 2.010 124.865 122.820 0.059 0.000 1.878 27 A HA 0.026 4.346 4.320 0.000 0.000 0.213 27 A C 2.248 179.843 177.584 0.019 0.000 1.192 27 A CA 0.512 52.554 52.037 0.008 0.000 0.619 27 A CB -0.527 18.325 19.000 -0.247 0.000 0.837 27 A HN 0.308 nan 8.150 nan 0.000 0.446 28 L N -0.134 121.053 121.223 -0.059 0.000 2.042 28 L HA -0.185 4.155 4.340 0.000 0.000 0.210 28 L C 2.400 179.325 176.870 0.090 0.000 1.076 28 L CA 2.023 56.859 54.840 -0.006 0.000 0.749 28 L CB -0.635 41.394 42.059 -0.051 0.000 0.893 28 L HN 0.421 nan 8.230 nan 0.000 0.432 29 E N -0.859 119.401 120.200 0.100 0.000 2.072 29 E HA -0.270 4.080 4.350 0.000 0.000 0.191 29 E C 1.827 178.532 176.600 0.176 0.000 0.985 29 E CA 1.024 57.492 56.400 0.114 0.000 0.801 29 E CB -0.490 29.263 29.700 0.088 0.000 0.750 29 E HN 0.605 nan 8.360 nan 0.000 0.452 30 W N 1.541 122.855 121.300 0.024 0.000 2.338 30 W HA -0.140 4.520 4.660 0.000 0.000 0.304 30 W C 1.801 178.345 176.519 0.041 0.000 1.212 30 W CA 1.028 58.381 57.345 0.012 0.000 1.264 30 W CB -0.418 29.058 29.460 0.025 0.000 1.142 30 W HN 0.039 nan 8.180 nan 0.000 0.512 31 L N 0.521 122.009 121.223 0.443 0.000 2.376 31 L HA -0.150 4.190 4.340 0.000 0.000 0.219 31 L C 2.211 179.368 176.870 0.479 0.000 1.133 31 L CA 1.039 56.153 54.840 0.458 0.000 0.816 31 L CB -0.489 41.851 42.059 0.469 0.000 0.933 31 L HN -0.158 nan 8.230 nan 0.000 0.449 32 K N -0.265 120.322 120.400 0.311 0.000 2.379 32 K HA 0.042 4.362 4.320 0.000 0.000 0.194 32 K C 0.056 176.844 176.600 0.313 0.000 1.031 32 K CA 0.245 56.684 56.287 0.254 0.000 1.037 32 K CB 0.375 32.947 32.500 0.119 0.000 0.824 32 K HN 0.016 nan 8.250 nan 0.000 0.516 33 K N 1.365 121.905 120.400 0.233 0.000 2.235 33 K HA 0.248 4.569 4.320 0.000 0.000 0.266 33 K C -2.769 173.913 176.600 0.137 0.000 0.980 33 K CA -2.255 54.129 56.287 0.161 0.000 0.849 33 K CB 1.355 33.829 32.500 -0.042 0.000 1.098 33 K HN -0.234 nan 8.250 nan 0.000 0.445 34 P HA 0.116 nan 4.420 nan 0.000 0.271 34 P C 0.277 177.546 177.300 -0.052 0.000 1.220 34 P CA -0.012 63.169 63.100 0.136 0.000 0.768 34 P CB 0.693 32.447 31.700 0.090 0.000 0.848 35 M N 2.468 121.992 119.600 -0.126 0.000 2.254 35 M HA -0.070 4.410 4.480 0.000 0.000 0.265 35 M C 0.867 177.157 176.300 -0.017 0.000 1.066 35 M CA 1.558 56.699 55.300 -0.265 0.000 1.123 35 M CB 0.176 32.393 32.600 -0.638 0.000 1.388 35 M HN 0.188 nan 8.290 nan 0.000 0.425 36 R N 0.314 120.916 120.500 0.170 0.000 2.515 36 R HA 0.536 4.876 4.340 0.000 0.000 0.291 36 R C -1.980 174.384 176.300 0.106 0.000 1.046 36 R CA -0.288 55.923 56.100 0.184 0.000 0.914 36 R CB 1.202 31.689 30.300 0.313 0.000 1.191 36 R HN 0.128 nan 8.270 nan 0.000 0.435 37 I N 4.670 125.269 120.570 0.048 0.000 2.436 37 I HA 0.405 4.575 4.170 0.000 0.000 0.289 37 I C -0.829 175.319 176.117 0.051 0.000 1.010 37 I CA -1.080 60.237 61.300 0.029 0.000 1.098 37 I CB 2.206 40.187 38.000 -0.032 0.000 1.266 37 I HN 0.274 nan 8.210 nan 0.000 0.434 38 V N 5.862 125.826 119.914 0.083 0.000 2.540 38 V HA 0.388 4.508 4.120 0.000 0.000 0.302 38 V C -0.404 175.795 176.094 0.175 0.000 1.035 38 V CA -0.554 61.803 62.300 0.094 0.000 0.873 38 V CB 2.053 33.911 31.823 0.057 0.000 0.992 38 V HN 0.715 nan 8.190 nan 0.000 0.428 39 E N 3.934 124.233 120.200 0.164 0.000 2.191 39 E HA 0.678 5.028 4.350 0.000 0.000 0.263 39 E C -1.377 175.262 176.600 0.066 0.000 0.881 39 E CA -0.487 56.035 56.400 0.203 0.000 0.757 39 E CB 2.068 31.947 29.700 0.298 0.000 1.147 39 E HN 0.596 nan 8.360 nan 0.000 0.414 40 V N 0.887 120.801 119.914 0.000 0.000 2.864 40 V HA 0.561 4.682 4.120 0.000 0.000 0.314 40 V C -0.022 176.051 176.094 -0.036 0.000 1.073 40 V CA -1.029 61.262 62.300 -0.015 0.000 0.956 40 V CB 1.812 33.621 31.823 -0.025 0.000 1.023 40 V HN 0.544 nan 8.190 nan 0.000 0.435 41 S N 1.969 117.658 115.700 -0.018 0.000 2.448 41 S HA 0.435 4.905 4.470 0.000 0.000 0.279 41 S C -0.068 174.542 174.600 0.016 0.000 1.195 41 S CA -0.369 57.823 58.200 -0.014 0.000 1.051 41 S CB 0.792 63.981 63.200 -0.018 0.000 0.948 41 S HN 0.700 nan 8.310 nan 0.000 0.493 42 V N 7.316 127.261 119.914 0.052 0.000 2.270 42 V HA 0.297 4.417 4.120 0.000 0.000 0.263 42 V C -2.130 174.040 176.094 0.127 0.000 1.066 42 V CA -1.942 60.418 62.300 0.100 0.000 0.857 42 V CB 0.309 32.216 31.823 0.140 0.000 1.099 42 V HN 0.602 nan 8.190 nan 0.000 0.476 43 P HA 0.499 nan 4.420 nan 0.000 0.292 43 P C -0.584 176.760 177.300 0.073 0.000 1.287 43 P CA -0.219 62.914 63.100 0.055 0.000 0.800 43 P CB 1.638 33.344 31.700 0.010 0.000 0.945 44 I N -1.151 119.480 120.570 0.101 0.000 2.689 44 I HA 0.575 4.745 4.170 0.000 0.000 0.299 44 I C -0.337 175.802 176.117 0.037 0.000 1.059 44 I CA -1.489 59.851 61.300 0.066 0.000 1.055 44 I CB 2.728 40.776 38.000 0.080 0.000 1.243 44 I HN 0.169 nan 8.210 nan 0.000 0.425 45 E N 5.921 126.127 120.200 0.009 0.000 2.257 45 E HA 0.235 4.585 4.350 0.000 0.000 0.278 45 E C -0.432 176.168 176.600 0.001 0.000 1.049 45 E CA -0.695 55.703 56.400 -0.003 0.000 0.876 45 E CB 0.784 30.476 29.700 -0.014 0.000 1.035 45 E HN 0.502 nan 8.360 nan 0.000 0.419 46 M N 3.260 122.862 119.600 0.003 0.000 2.157 46 M HA 0.008 4.488 4.480 0.000 0.000 0.304 46 M C 0.773 177.068 176.300 -0.008 0.000 1.171 46 M CA 0.089 55.393 55.300 0.006 0.000 1.157 46 M CB 0.286 32.891 32.600 0.007 0.000 1.403 46 M HN 0.601 nan 8.290 nan 0.000 0.473 47 D N 1.008 121.403 120.400 -0.009 0.000 2.149 47 D HA -0.169 4.471 4.640 0.000 0.000 0.198 47 D C 1.170 177.462 176.300 -0.012 0.000 0.990 47 D CA 1.337 55.329 54.000 -0.013 0.000 0.839 47 D CB -0.152 40.641 40.800 -0.012 0.000 0.948 47 D HN 0.515 nan 8.370 nan 0.000 0.460 48 D N -0.093 120.301 120.400 -0.010 0.000 2.339 48 D HA -0.215 4.425 4.640 0.000 0.000 0.189 48 D C 1.772 178.064 176.300 -0.014 0.000 1.022 48 D CA 2.479 56.472 54.000 -0.012 0.000 0.884 48 D CB -0.427 40.364 40.800 -0.014 0.000 0.916 48 D HN 0.431 nan 8.370 nan 0.000 0.453 49 G N -1.451 107.340 108.800 -0.015 0.000 2.179 49 G HA2 -0.226 3.734 3.960 0.000 0.000 0.220 49 G HA3 -0.226 3.734 3.960 0.000 0.000 0.220 49 G C 0.248 175.136 174.900 -0.019 0.000 0.990 49 G CA 0.601 45.691 45.100 -0.017 0.000 0.646 49 G HN 0.727 nan 8.290 nan 0.000 0.517 50 S N -0.284 115.403 115.700 -0.021 0.000 2.554 50 S HA 0.720 5.190 4.470 0.000 0.000 0.278 50 S C 0.105 174.686 174.600 -0.032 0.000 1.242 50 S CA -0.431 57.751 58.200 -0.029 0.000 1.051 50 S CB 2.551 65.731 63.200 -0.033 0.000 0.986 50 S HN 0.982 nan 8.310 nan 0.000 0.502 51 V N 3.472 123.362 119.914 -0.040 0.000 2.432 51 V HA 0.379 4.499 4.120 0.000 0.000 0.271 51 V C 0.419 176.462 176.094 -0.084 0.000 1.046 51 V CA -0.382 61.890 62.300 -0.046 0.000 0.945 51 V CB 0.638 32.436 31.823 -0.041 0.000 0.992 51 V HN 0.810 nan 8.190 nan 0.000 0.471 52 K N 4.132 124.467 120.400 -0.108 0.000 2.274 52 K HA 0.495 4.815 4.320 0.000 0.000 0.262 52 K C -0.782 175.641 176.600 -0.295 0.000 0.961 52 K CA -0.479 55.652 56.287 -0.260 0.000 0.833 52 K CB 1.907 34.181 32.500 -0.377 0.000 1.102 52 K HN 0.620 nan 8.250 nan 0.000 0.436 53 V N 2.417 122.146 119.914 -0.309 0.000 2.364 53 V HA 0.491 4.611 4.120 0.000 0.000 0.272 53 V C -0.361 175.516 176.094 -0.361 0.000 1.036 53 V CA -0.663 61.507 62.300 -0.216 0.000 0.880 53 V CB -0.074 31.679 31.823 -0.117 0.000 0.991 53 V HN 0.449 nan 8.190 nan 0.000 0.460 54 F N 2.300 122.190 119.950 -0.101 0.000 2.370 54 F HA 0.582 5.109 4.527 0.000 0.000 0.319 54 F C 1.235 176.949 175.800 -0.144 0.000 1.129 54 F CA -0.296 57.626 58.000 -0.130 0.000 1.109 54 F CB 1.383 40.276 39.000 -0.178 0.000 1.262 54 F HN 0.473 nan 8.300 nan 0.000 0.534 55 T N 1.150 115.707 114.554 0.004 0.000 2.749 55 T HA 0.553 4.903 4.350 0.000 0.000 0.287 55 T C 0.169 174.631 174.700 -0.396 0.000 0.970 55 T CA -0.619 61.361 62.100 -0.200 0.000 0.980 55 T CB 0.755 69.484 68.868 -0.233 0.000 0.924 55 T HN 0.808 nan 8.240 nan 0.000 0.456 56 G N 1.979 110.563 108.800 -0.361 0.000 2.454 56 G HA2 0.732 4.692 3.960 0.000 0.000 0.329 56 G HA3 0.732 4.692 3.960 0.000 0.000 0.329 56 G C -1.476 173.188 174.900 -0.394 0.000 1.177 56 G CA -0.593 44.352 45.100 -0.257 0.000 0.951 56 G HN 0.517 nan 8.290 nan 0.000 0.485 57 F N -0.282 119.824 119.950 0.260 0.000 2.556 57 F HA 0.709 5.236 4.527 0.000 0.000 0.314 57 F C 0.150 176.085 175.800 0.226 0.000 1.106 57 F CA -1.093 57.012 58.000 0.174 0.000 0.911 57 F CB 2.869 41.936 39.000 0.112 0.000 1.190 57 F HN 0.375 nan 8.300 nan 0.000 0.448 58 R N 1.666 122.354 120.500 0.313 0.000 2.502 58 R HA 0.795 5.135 4.340 0.000 0.000 0.300 58 R C -2.175 174.210 176.300 0.143 0.000 0.984 58 R CA -0.546 55.685 56.100 0.217 0.000 0.882 58 R CB 1.660 32.032 30.300 0.119 0.000 1.180 58 R HN 0.512 nan 8.270 nan 0.000 0.444 59 V N 5.472 125.456 119.914 0.117 0.000 2.378 59 V HA 0.374 4.494 4.120 0.000 0.000 0.288 59 V C -0.500 175.658 176.094 0.106 0.000 1.016 59 V CA -0.652 61.696 62.300 0.080 0.000 0.840 59 V CB 1.713 33.547 31.823 0.019 0.000 0.994 59 V HN 0.716 nan 8.190 nan 0.000 0.431 60 Q N 3.495 123.387 119.800 0.153 0.000 2.456 60 Q HA 0.279 4.619 4.340 0.000 0.000 0.234 60 Q C 1.036 177.226 176.000 0.317 0.000 1.061 60 Q CA -0.277 55.673 55.803 0.245 0.000 0.896 60 Q CB 0.710 29.614 28.738 0.278 0.000 1.233 60 Q HN 0.826 nan 8.270 nan 0.000 0.506 61 H N 3.014 122.163 119.070 0.131 0.000 2.270 61 H HA -0.041 4.515 4.556 0.000 0.000 0.299 61 H C -0.012 175.371 175.328 0.091 0.000 1.077 61 H CA 1.094 57.182 56.048 0.068 0.000 1.294 61 H CB 0.769 30.515 29.762 -0.027 0.000 1.371 61 H HN 0.470 nan 8.280 nan 0.000 0.491 62 N N -0.915 117.782 118.700 -0.004 0.000 2.648 62 N HA -0.032 4.708 4.740 0.000 0.000 0.272 62 N C -1.418 174.255 175.510 0.272 0.000 1.118 62 N CA -0.424 52.586 53.050 -0.065 0.000 0.973 62 N CB 0.499 38.836 38.487 -0.250 0.000 1.565 62 N HN 0.436 nan 8.380 nan 0.000 0.542 63 W N 3.586 125.057 121.300 0.285 0.000 2.764 63 W HA 0.612 5.272 4.660 0.000 0.000 0.427 63 W C 0.835 177.501 176.519 0.244 0.000 0.896 63 W CA -0.401 57.093 57.345 0.249 0.000 2.307 63 W CB -0.308 29.296 29.460 0.240 0.000 1.192 63 W HN 0.531 nan 8.180 nan 0.000 0.731 64 A N 1.798 124.729 122.820 0.186 0.000 1.877 64 A HA -0.132 4.188 4.320 0.000 0.000 0.216 64 A C 2.163 179.683 177.584 -0.107 0.000 1.186 64 A CA 1.175 53.038 52.037 -0.290 0.000 0.620 64 A CB -0.325 18.431 19.000 -0.407 0.000 0.822 64 A HN 0.322 nan 8.150 nan 0.000 0.443 65 R N -0.545 119.973 120.500 0.029 0.000 2.307 65 R HA 0.219 4.559 4.340 0.000 0.000 0.199 65 R C 0.872 177.239 176.300 0.111 0.000 1.000 65 R CA 0.804 56.932 56.100 0.046 0.000 1.023 65 R CB -0.406 29.928 30.300 0.057 0.000 0.908 65 R HN 0.672 nan 8.270 nan 0.000 0.473 66 G N 0.526 109.447 108.800 0.203 0.000 2.346 66 G HA2 -0.079 3.881 3.960 0.000 0.000 0.294 66 G HA3 -0.079 3.881 3.960 0.000 0.000 0.294 66 G C -3.090 171.980 174.900 0.283 0.000 1.294 66 G CA -1.276 43.976 45.100 0.252 0.000 0.962 66 G HN -0.183 nan 8.290 nan 0.000 0.508 67 P HA 0.282 nan 4.420 nan 0.000 0.266 67 P C 0.709 178.011 177.300 0.003 0.000 1.195 67 P CA 0.468 63.623 63.100 0.092 0.000 0.768 67 P CB 0.326 32.005 31.700 -0.036 0.000 0.838 68 T N 0.186 114.724 114.554 -0.027 0.000 2.918 68 T HA 0.400 4.750 4.350 0.000 0.000 0.302 68 T C -0.086 174.432 174.700 -0.304 0.000 1.045 68 T CA -0.397 61.663 62.100 -0.066 0.000 1.114 68 T CB 0.526 69.425 68.868 0.051 0.000 0.965 68 T HN 0.163 nan 8.240 nan 0.000 0.540 69 K N 0.583 120.762 120.400 -0.368 0.000 2.443 69 K HA 0.720 5.040 4.320 0.000 0.000 0.252 69 K C -0.403 176.033 176.600 -0.272 0.000 0.933 69 K CA -0.154 55.816 56.287 -0.528 0.000 0.792 69 K CB 1.661 33.582 32.500 -0.965 0.000 1.185 69 K HN 1.223 nan 8.250 nan 0.000 0.425 70 G N 1.019 109.696 108.800 -0.205 0.000 2.384 70 G HA2 0.410 4.370 3.960 0.000 0.000 0.300 70 G HA3 0.410 4.370 3.960 0.000 0.000 0.300 70 G C -0.676 174.183 174.900 -0.068 0.000 1.582 70 G CA -0.403 44.631 45.100 -0.109 0.000 0.875 70 G HN 0.720 nan 8.290 nan 0.000 0.628 71 G N -1.062 107.709 108.800 -0.049 0.000 2.634 71 G HA2 0.548 4.508 3.960 0.000 0.000 0.255 71 G HA3 0.548 4.508 3.960 0.000 0.000 0.255 71 G C -0.083 174.805 174.900 -0.021 0.000 1.205 71 G CA -0.628 44.443 45.100 -0.049 0.000 0.884 71 G HN 0.747 nan 8.290 nan 0.000 0.549 72 I N 0.896 121.429 120.570 -0.061 0.000 2.330 72 I HA 0.301 4.471 4.170 0.000 0.000 0.289 72 I C 0.229 176.300 176.117 -0.077 0.000 1.001 72 I CA -0.552 60.712 61.300 -0.060 0.000 1.193 72 I CB 1.340 39.240 38.000 -0.167 0.000 1.345 72 I HN 0.362 nan 8.210 nan 0.000 0.461 73 R N 5.171 125.699 120.500 0.048 0.000 2.368 73 R HA 0.394 4.734 4.340 0.000 0.000 0.302 73 R C -1.656 174.850 176.300 0.342 0.000 1.002 73 R CA -0.675 55.484 56.100 0.099 0.000 0.929 73 R CB 1.271 31.622 30.300 0.085 0.000 1.073 73 R HN 0.417 nan 8.270 nan 0.000 0.464 74 W N 3.368 124.692 121.300 0.040 0.000 2.318 74 W HA 0.360 5.020 4.660 0.000 0.000 0.315 74 W C 0.151 176.806 176.519 0.227 0.000 1.033 74 W CA -0.189 57.203 57.345 0.079 0.000 1.275 74 W CB 0.422 29.909 29.460 0.045 0.000 1.250 74 W HN 0.488 nan 8.180 nan 0.000 0.421 75 H N 4.170 123.410 119.070 0.283 0.000 3.094 75 H HA 0.148 4.704 4.556 0.000 0.000 0.335 75 H C -2.013 173.414 175.328 0.166 0.000 1.254 75 H CA -1.287 54.914 56.048 0.256 0.000 1.240 75 H CB 2.944 32.806 29.762 0.166 0.000 1.936 75 H HN 0.015 nan 8.280 nan 0.000 0.536 76 P HA 0.031 nan 4.420 nan 0.000 0.224 76 P C 0.709 178.180 177.300 0.284 0.000 1.157 76 P CA 0.899 64.149 63.100 0.250 0.000 0.799 76 P CB 0.269 32.059 31.700 0.149 0.000 0.809 77 A N -0.242 122.820 122.820 0.403 0.000 2.276 77 A HA 0.035 4.355 4.320 0.000 0.000 0.212 77 A C 0.886 178.535 177.584 0.108 0.000 1.230 77 A CA 0.108 52.248 52.037 0.172 0.000 0.844 77 A CB -1.023 18.009 19.000 0.053 0.000 0.860 77 A HN 0.030 nan 8.150 nan 0.000 0.486 78 E N 1.429 121.743 120.200 0.190 0.000 2.344 78 E HA 0.361 4.711 4.350 0.000 0.000 0.270 78 E C 0.386 177.118 176.600 0.220 0.000 1.021 78 E CA 0.549 57.065 56.400 0.192 0.000 0.887 78 E CB 0.486 30.356 29.700 0.283 0.000 0.997 78 E HN 0.431 nan 8.360 nan 0.000 0.429 79 T N 1.361 115.976 114.554 0.102 0.000 2.906 79 T HA 0.271 4.621 4.350 0.000 0.000 0.295 79 T C 0.649 175.119 174.700 -0.383 0.000 1.075 79 T CA -0.903 61.184 62.100 -0.022 0.000 1.005 79 T CB 0.912 69.755 68.868 -0.042 0.000 1.136 79 T HN 0.313 nan 8.240 nan 0.000 0.498 80 L N 2.045 122.782 121.223 -0.810 0.000 2.046 80 L HA 0.041 4.381 4.340 0.000 0.000 0.208 80 L C 2.752 179.338 176.870 -0.472 0.000 1.077 80 L CA 2.568 56.815 54.840 -0.988 0.000 0.747 80 L CB -1.222 40.337 42.059 -0.832 0.000 0.896 80 L HN 0.961 nan 8.230 nan 0.000 0.432 81 S N -1.770 113.754 115.700 -0.294 0.000 2.374 81 S HA -0.239 4.231 4.470 0.000 0.000 0.227 81 S C 1.917 176.457 174.600 -0.100 0.000 1.037 81 S CA 2.147 60.253 58.200 -0.156 0.000 1.024 81 S CB -0.449 62.721 63.200 -0.049 0.000 0.861 81 S HN 0.662 nan 8.310 nan 0.000 0.456 82 T N 1.320 115.806 114.554 -0.115 0.000 2.851 82 T HA 0.033 4.383 4.350 0.000 0.000 0.262 82 T C 1.850 176.504 174.700 -0.076 0.000 1.043 82 T CA 1.242 63.297 62.100 -0.074 0.000 1.140 82 T CB -0.334 68.494 68.868 -0.066 0.000 0.872 82 T HN 0.286 nan 8.240 nan 0.000 0.446 83 V N 1.680 121.525 119.914 -0.116 0.000 2.287 83 V HA -0.214 3.906 4.120 0.000 0.000 0.248 83 V C 2.428 178.469 176.094 -0.088 0.000 1.053 83 V CA 1.652 63.906 62.300 -0.077 0.000 1.027 83 V CB -0.536 31.241 31.823 -0.077 0.000 0.646 83 V HN 0.453 nan 8.190 nan 0.000 0.447 84 K N 0.414 120.708 120.400 -0.177 0.000 2.020 84 K HA -0.213 4.107 4.320 0.000 0.000 0.212 84 K C 2.330 178.928 176.600 -0.003 0.000 1.050 84 K CA 1.736 57.891 56.287 -0.219 0.000 0.929 84 K CB -0.568 31.557 32.500 -0.625 0.000 0.714 84 K HN 0.477 nan 8.250 nan 0.000 0.443 85 A N 1.229 124.121 122.820 0.121 0.000 1.940 85 A HA -0.153 4.167 4.320 0.000 0.000 0.219 85 A C 2.099 179.707 177.584 0.040 0.000 1.176 85 A CA 1.385 53.523 52.037 0.168 0.000 0.631 85 A CB -0.584 18.469 19.000 0.088 0.000 0.814 85 A HN 0.180 nan 8.150 nan 0.000 0.446 86 L N -1.318 119.906 121.223 0.003 0.000 2.131 86 L HA -0.081 4.259 4.340 0.000 0.000 0.206 86 L C 3.096 179.979 176.870 0.021 0.000 1.087 86 L CA 0.829 55.683 54.840 0.022 0.000 0.767 86 L CB -0.674 41.387 42.059 0.004 0.000 0.917 86 L HN 0.445 nan 8.230 nan 0.000 0.441 87 A N 0.164 122.969 122.820 -0.024 0.000 1.865 87 A HA -0.219 4.101 4.320 0.000 0.000 0.217 87 A C 2.358 179.812 177.584 -0.217 0.000 1.191 87 A CA 2.468 54.474 52.037 -0.052 0.000 0.623 87 A CB -1.008 17.994 19.000 0.004 0.000 0.826 87 A HN 0.346 nan 8.150 nan 0.000 0.444 88 T N -1.904 112.417 114.554 -0.389 0.000 2.665 88 T HA -0.237 4.113 4.350 0.000 0.000 0.268 88 T C 1.476 175.642 174.700 -0.890 0.000 1.035 88 T CA 1.759 63.272 62.100 -0.978 0.000 1.151 88 T CB -0.345 68.216 68.868 -0.511 0.000 0.862 88 T HN 0.693 nan 8.240 nan 0.000 0.438 89 W N 0.864 121.809 121.300 -0.593 0.000 2.425 89 W HA 0.069 4.730 4.660 0.000 0.000 0.277 89 W C 2.042 178.296 176.519 -0.442 0.000 1.231 89 W CA 0.465 57.505 57.345 -0.508 0.000 1.248 89 W CB -0.279 29.062 29.460 -0.198 0.000 1.117 89 W HN 0.087 nan 8.180 nan 0.000 0.568 90 M N -0.470 119.020 119.600 -0.184 0.000 2.117 90 M HA -0.168 4.313 4.480 0.000 0.000 0.262 90 M C 1.941 178.090 176.300 -0.252 0.000 1.065 90 M CA 1.864 57.059 55.300 -0.176 0.000 1.114 90 M CB -1.742 30.803 32.600 -0.091 0.000 1.361 90 M HN -0.158 nan 8.290 nan 0.000 0.408 91 T N -0.328 114.013 114.554 -0.356 0.000 2.699 91 T HA -0.228 4.122 4.350 0.000 0.000 0.268 91 T C 1.586 176.200 174.700 -0.144 0.000 1.036 91 T CA 1.835 63.764 62.100 -0.284 0.000 1.147 91 T CB -0.462 68.178 68.868 -0.380 0.000 0.862 91 T HN 0.573 nan 8.240 nan 0.000 0.446 92 W N 1.100 122.271 121.300 -0.216 0.000 2.409 92 W HA 0.070 4.730 4.660 0.000 0.000 0.299 92 W C 2.601 178.940 176.519 -0.301 0.000 1.203 92 W CA 0.147 57.269 57.345 -0.372 0.000 1.298 92 W CB -0.171 28.745 29.460 -0.906 0.000 1.127 92 W HN 0.125 nan 8.180 nan 0.000 0.528 93 K N 1.609 121.871 120.400 -0.229 0.000 2.009 93 K HA -0.223 4.098 4.320 0.000 0.000 0.210 93 K C 1.943 178.541 176.600 -0.003 0.000 1.049 93 K CA 2.449 58.681 56.287 -0.091 0.000 0.929 93 K CB -0.681 31.686 32.500 -0.221 0.000 0.714 93 K HN 0.103 nan 8.250 nan 0.000 0.440 94 V N -1.300 118.602 119.914 -0.020 0.000 2.490 94 V HA -0.108 4.013 4.120 0.000 0.000 0.250 94 V C 2.170 178.282 176.094 0.030 0.000 1.061 94 V CA 1.785 64.097 62.300 0.020 0.000 1.064 94 V CB -1.166 30.692 31.823 0.058 0.000 0.670 94 V HN 0.356 nan 8.190 nan 0.000 0.461 95 A N -0.188 122.674 122.820 0.070 0.000 1.970 95 A HA 0.027 4.348 4.320 0.000 0.000 0.216 95 A C 2.363 179.990 177.584 0.072 0.000 1.170 95 A CA 1.512 53.602 52.037 0.088 0.000 0.645 95 A CB -0.575 18.525 19.000 0.166 0.000 0.816 95 A HN 0.447 nan 8.150 nan 0.000 0.447 96 V N 0.614 120.582 119.914 0.090 0.000 2.626 96 V HA -0.138 3.982 4.120 0.000 0.000 0.252 96 V C 2.018 178.113 176.094 0.002 0.000 1.067 96 V CA 2.086 64.414 62.300 0.047 0.000 1.081 96 V CB 0.151 31.996 31.823 0.037 0.000 0.686 96 V HN 0.579 nan 8.190 nan 0.000 0.468 97 V N -2.960 116.955 119.914 0.002 0.000 3.483 97 V HA 0.407 4.527 4.120 0.000 0.000 0.301 97 V C 0.737 176.818 176.094 -0.022 0.000 1.389 97 V CA 0.506 62.803 62.300 -0.004 0.000 1.101 97 V CB -0.109 31.710 31.823 -0.006 0.000 0.971 97 V HN 0.558 nan 8.190 nan 0.000 0.434 98 D N 0.394 120.777 120.400 -0.028 0.000 2.767 98 D HA -0.162 4.478 4.640 0.000 0.000 0.239 98 D C -0.387 175.830 176.300 -0.139 0.000 1.103 98 D CA 0.613 54.585 54.000 -0.046 0.000 0.710 98 D CB -1.508 39.285 40.800 -0.012 0.000 1.084 98 D HN 0.614 nan 8.370 nan 0.000 0.435 99 L N 0.165 121.263 121.223 -0.208 0.000 2.343 99 L HA 0.496 4.836 4.340 0.000 0.000 0.275 99 L C -1.269 175.373 176.870 -0.381 0.000 1.056 99 L CA -1.893 52.654 54.840 -0.487 0.000 0.804 99 L CB 1.010 42.772 42.059 -0.494 0.000 1.203 99 L HN -0.074 nan 8.230 nan 0.000 0.440 100 P HA 0.069 nan 4.420 nan 0.000 0.238 100 P C -1.291 175.887 177.300 -0.203 0.000 1.714 100 P CA 0.303 63.254 63.100 -0.249 0.000 0.908 100 P CB -0.361 31.273 31.700 -0.110 0.000 1.893 101 Y N -0.422 119.804 120.300 -0.124 0.000 2.536 101 Y HA 0.609 5.159 4.550 0.000 0.000 0.347 101 Y C 1.216 177.100 175.900 -0.028 0.000 1.000 101 Y CA -1.109 56.920 58.100 -0.119 0.000 1.051 101 Y CB 1.463 39.807 38.460 -0.193 0.000 1.259 101 Y HN 0.021 nan 8.280 nan 0.000 0.468 102 G N -0.153 108.766 108.800 0.198 0.000 2.531 102 G HA2 0.522 4.482 3.960 0.000 0.000 0.281 102 G HA3 0.522 4.482 3.960 0.000 0.000 0.281 102 G C -0.449 174.483 174.900 0.053 0.000 1.382 102 G CA -0.565 44.626 45.100 0.152 0.000 1.045 102 G HN 0.838 nan 8.290 nan 0.000 0.533 103 G N -1.589 107.251 108.800 0.067 0.000 2.416 103 G HA2 0.652 4.612 3.960 0.000 0.000 0.324 103 G HA3 0.652 4.612 3.960 0.000 0.000 0.324 103 G C -0.333 174.595 174.900 0.047 0.000 1.194 103 G CA 0.149 45.248 45.100 -0.002 0.000 0.922 103 G HN 1.006 nan 8.290 nan 0.000 0.467 104 G N 0.103 108.896 108.800 -0.011 0.000 2.690 104 G HA2 0.677 4.638 3.960 0.000 0.000 0.293 104 G HA3 0.677 4.638 3.960 0.000 0.000 0.293 104 G C -1.580 173.321 174.900 0.002 0.000 1.399 104 G CA -0.767 44.342 45.100 0.016 0.000 0.890 104 G HN 0.699 nan 8.290 nan 0.000 0.485 105 K N -0.990 119.432 120.400 0.036 0.000 2.587 105 K HA 0.666 4.986 4.320 0.000 0.000 0.276 105 K C -0.405 176.260 176.600 0.108 0.000 0.956 105 K CA -0.120 56.197 56.287 0.049 0.000 0.857 105 K CB 2.053 34.572 32.500 0.031 0.000 1.431 105 K HN 1.129 nan 8.250 nan 0.000 0.420 106 G N -0.131 108.751 108.800 0.136 0.000 2.680 106 G HA2 0.801 4.761 3.960 0.000 0.000 0.290 106 G HA3 0.801 4.761 3.960 0.000 0.000 0.290 106 G C -1.100 173.933 174.900 0.221 0.000 1.355 106 G CA -0.621 44.625 45.100 0.243 0.000 0.903 106 G HN 0.740 nan 8.290 nan 0.000 0.474 107 G N -0.956 108.026 108.800 0.303 0.000 2.702 107 G HA2 0.546 4.507 3.960 0.000 0.000 0.296 107 G HA3 0.546 4.507 3.960 0.000 0.000 0.296 107 G C -1.514 173.504 174.900 0.196 0.000 1.463 107 G CA -0.629 44.643 45.100 0.287 0.000 0.890 107 G HN 0.651 nan 8.290 nan 0.000 0.534 108 I N 1.444 122.079 120.570 0.108 0.000 2.545 108 I HA 0.378 4.548 4.170 0.000 0.000 0.292 108 I C -0.156 175.940 176.117 -0.036 0.000 1.040 108 I CA -0.926 60.308 61.300 -0.110 0.000 1.068 108 I CB 2.347 40.068 38.000 -0.465 0.000 1.251 108 I HN 0.280 nan 8.210 nan 0.000 0.424 109 I N 6.645 127.205 120.570 -0.017 0.000 2.329 109 I HA 0.318 4.488 4.170 0.000 0.000 0.295 109 I C -0.331 175.841 176.117 0.092 0.000 1.109 109 I CA -0.084 61.270 61.300 0.091 0.000 1.297 109 I CB 0.628 38.704 38.000 0.126 0.000 1.433 109 I HN 0.255 nan 8.210 nan 0.000 0.509 110 V N 6.036 125.968 119.914 0.030 0.000 3.108 110 V HA 0.307 4.427 4.120 0.000 0.000 0.287 110 V C -1.307 174.763 176.094 -0.040 0.000 1.436 110 V CA -0.718 61.540 62.300 -0.070 0.000 1.001 110 V CB 2.618 34.099 31.823 -0.571 0.000 1.141 110 V HN 0.748 nan 8.190 nan 0.000 0.443 111 N N 6.407 125.088 118.700 -0.031 0.000 2.558 111 N HA 0.496 5.236 4.740 0.000 0.000 0.233 111 N C -1.876 173.566 175.510 -0.113 0.000 1.038 111 N CA -2.168 50.839 53.050 -0.071 0.000 0.934 111 N CB 1.812 40.274 38.487 -0.043 0.000 1.175 111 N HN 0.384 nan 8.380 nan 0.000 0.512 112 P HA -0.136 nan 4.420 nan 0.000 0.218 112 P C 1.141 178.384 177.300 -0.094 0.000 1.148 112 P CA 1.569 64.632 63.100 -0.062 0.000 0.822 112 P CB 0.213 31.955 31.700 0.070 0.000 0.784 113 K N 0.622 120.920 120.400 -0.170 0.000 2.280 113 K HA -0.163 4.157 4.320 0.000 0.000 0.202 113 K C 1.662 178.218 176.600 -0.072 0.000 1.047 113 K CA 1.456 57.662 56.287 -0.134 0.000 0.942 113 K CB -1.428 30.970 32.500 -0.170 0.000 0.739 113 K HN 0.415 nan 8.250 nan 0.000 0.457 114 E N -0.367 119.797 120.200 -0.059 0.000 2.476 114 E HA 0.204 4.554 4.350 0.000 0.000 0.191 114 E C -0.314 176.277 176.600 -0.016 0.000 1.064 114 E CA -0.284 56.100 56.400 -0.028 0.000 0.866 114 E CB -0.033 29.661 29.700 -0.010 0.000 0.952 114 E HN 0.446 nan 8.360 nan 0.000 0.492 115 L N 1.501 122.707 121.223 -0.028 0.000 2.334 115 L HA 0.255 4.595 4.340 0.000 0.000 0.276 115 L C 0.530 177.401 176.870 0.001 0.000 1.014 115 L CA -0.847 53.979 54.840 -0.023 0.000 0.815 115 L CB 1.757 43.775 42.059 -0.069 0.000 1.268 115 L HN 0.009 nan 8.230 nan 0.000 0.428 116 S N 0.656 116.358 115.700 0.003 0.000 2.632 116 S HA 0.185 4.655 4.470 0.000 0.000 0.267 116 S C 0.862 175.482 174.600 0.035 0.000 1.276 116 S CA -0.750 57.460 58.200 0.015 0.000 0.998 116 S CB 1.319 64.521 63.200 0.002 0.000 0.953 116 S HN 0.580 nan 8.310 nan 0.000 0.547 117 E N 1.515 121.753 120.200 0.063 0.000 2.114 117 E HA -0.230 4.120 4.350 0.000 0.000 0.199 117 E C 2.726 179.302 176.600 -0.039 0.000 1.008 117 E CA 2.054 58.519 56.400 0.109 0.000 0.810 117 E CB -1.045 28.746 29.700 0.152 0.000 0.739 117 E HN 0.817 nan 8.360 nan 0.000 0.456 118 R N 1.479 121.940 120.500 -0.065 0.000 2.115 118 R HA -0.117 4.223 4.340 0.000 0.000 0.230 118 R C 2.061 178.270 176.300 -0.151 0.000 1.111 118 R CA 1.794 57.812 56.100 -0.138 0.000 0.976 118 R CB -1.022 29.228 30.300 -0.083 0.000 0.870 118 R HN 0.369 nan 8.270 nan 0.000 0.445 119 E N 0.034 120.182 120.200 -0.086 0.000 2.076 119 E HA -0.113 4.237 4.350 0.000 0.000 0.190 119 E C 2.382 178.928 176.600 -0.090 0.000 0.979 119 E CA 0.873 57.228 56.400 -0.075 0.000 0.807 119 E CB 0.033 29.709 29.700 -0.039 0.000 0.761 119 E HN 0.662 nan 8.360 nan 0.000 0.454 120 Q N 0.634 120.421 119.800 -0.021 0.000 2.152 120 Q HA -0.256 4.084 4.340 0.000 0.000 0.206 120 Q C 2.126 178.187 176.000 0.101 0.000 0.985 120 Q CA 1.549 57.447 55.803 0.158 0.000 0.863 120 Q CB -0.061 28.911 28.738 0.390 0.000 0.904 120 Q HN 0.295 nan 8.270 nan 0.000 0.422 121 E N 0.671 120.631 120.200 -0.400 0.000 2.072 121 E HA -0.159 4.191 4.350 0.000 0.000 0.190 121 E C 1.935 178.355 176.600 -0.300 0.000 0.982 121 E CA 0.515 56.427 56.400 -0.814 0.000 0.803 121 E CB 0.161 28.925 29.700 -1.560 0.000 0.755 121 E HN 0.223 nan 8.360 nan 0.000 0.453 122 R N 0.114 120.486 120.500 -0.213 0.000 2.105 122 R HA -0.166 4.174 4.340 0.000 0.000 0.239 122 R C 2.502 178.788 176.300 -0.023 0.000 1.135 122 R CA 1.228 57.269 56.100 -0.098 0.000 0.967 122 R CB -0.362 29.890 30.300 -0.079 0.000 0.861 122 R HN 0.217 nan 8.270 nan 0.000 0.442 123 L N 0.644 121.841 121.223 -0.044 0.000 2.005 123 L HA -0.066 4.274 4.340 0.000 0.000 0.207 123 L C 2.344 179.303 176.870 0.148 0.000 1.072 123 L CA 1.885 56.670 54.840 -0.091 0.000 0.744 123 L CB -0.727 41.046 42.059 -0.478 0.000 0.895 123 L HN 0.138 nan 8.230 nan 0.000 0.433 124 A N -0.203 122.852 122.820 0.392 0.000 1.884 124 A HA -0.303 4.017 4.320 0.000 0.000 0.219 124 A C 2.423 180.223 177.584 0.360 0.000 1.197 124 A CA 2.375 54.720 52.037 0.514 0.000 0.637 124 A CB -0.692 18.650 19.000 0.570 0.000 0.827 124 A HN 0.523 nan 8.150 nan 0.000 0.450 125 R N -0.926 119.707 120.500 0.223 0.000 2.115 125 R HA 0.000 4.340 4.340 0.000 0.000 0.230 125 R C 2.432 178.826 176.300 0.157 0.000 1.111 125 R CA 1.054 57.256 56.100 0.169 0.000 0.976 125 R CB -0.398 29.945 30.300 0.071 0.000 0.870 125 R HN 0.540 nan 8.270 nan 0.000 0.445 126 A N 0.329 123.235 122.820 0.142 0.000 1.929 126 A HA -0.179 4.141 4.320 0.000 0.000 0.216 126 A C 1.901 179.589 177.584 0.173 0.000 1.176 126 A CA 0.809 52.917 52.037 0.119 0.000 0.628 126 A CB -0.559 18.493 19.000 0.088 0.000 0.816 126 A HN 0.387 nan 8.150 nan 0.000 0.444 127 Y N 0.764 121.128 120.300 0.106 0.000 2.097 127 Y HA -0.232 4.318 4.550 0.000 0.000 0.282 127 Y C 2.050 178.042 175.900 0.154 0.000 1.152 127 Y CA 1.778 59.955 58.100 0.128 0.000 1.136 127 Y CB -0.164 38.412 38.460 0.195 0.000 0.975 127 Y HN 0.233 nan 8.280 nan 0.000 0.498 128 I N 0.662 121.393 120.570 0.268 0.000 2.163 128 I HA -0.310 3.860 4.170 0.000 0.000 0.243 128 I C 2.364 178.581 176.117 0.166 0.000 1.085 128 I CA 1.651 63.082 61.300 0.218 0.000 1.347 128 I CB -1.347 36.845 38.000 0.319 0.000 1.044 128 I HN 0.286 nan 8.210 nan 0.000 0.408 129 R N 0.378 120.950 120.500 0.119 0.000 2.193 129 R HA -0.076 4.264 4.340 0.000 0.000 0.229 129 R C 2.245 178.570 176.300 0.042 0.000 1.110 129 R CA 1.278 57.411 56.100 0.056 0.000 0.988 129 R CB -0.257 30.056 30.300 0.022 0.000 0.871 129 R HN 0.401 nan 8.270 nan 0.000 0.458 130 A N 0.588 123.416 122.820 0.014 0.000 1.887 130 A HA -0.034 4.286 4.320 0.000 0.000 0.212 130 A C 1.961 179.516 177.584 -0.050 0.000 1.198 130 A CA 0.997 53.020 52.037 -0.023 0.000 0.628 130 A CB -0.094 18.882 19.000 -0.041 0.000 0.847 130 A HN 0.203 nan 8.150 nan 0.000 0.449 131 V N -2.872 116.953 119.914 -0.148 0.000 3.577 131 V HA 0.107 4.227 4.120 0.000 0.000 0.294 131 V C 1.659 177.758 176.094 0.010 0.000 1.317 131 V CA 0.710 62.925 62.300 -0.141 0.000 1.169 131 V CB -1.593 30.012 31.823 -0.363 0.000 1.011 131 V HN 0.483 nan 8.190 nan 0.000 0.426 132 Y N 2.306 122.598 120.300 -0.015 0.000 2.128 132 Y HA -0.197 4.353 4.550 0.000 0.000 0.284 132 Y C 2.166 178.114 175.900 0.081 0.000 1.154 132 Y CA 2.345 60.490 58.100 0.075 0.000 1.149 132 Y CB -0.058 38.429 38.460 0.044 0.000 0.976 132 Y HN 0.372 nan 8.280 nan 0.000 0.505 133 D N -0.313 120.177 120.400 0.149 0.000 2.350 133 D HA -0.107 4.533 4.640 0.000 0.000 0.216 133 D C 1.663 177.938 176.300 -0.041 0.000 0.968 133 D CA 1.526 55.564 54.000 0.062 0.000 0.894 133 D CB 0.012 40.874 40.800 0.104 0.000 0.909 133 D HN 0.485 nan 8.370 nan 0.000 0.520 134 V N -1.489 118.388 119.914 -0.063 0.000 3.477 134 V HA 0.266 4.387 4.120 0.000 0.000 0.297 134 V C 0.601 176.624 176.094 -0.118 0.000 1.433 134 V CA -0.507 61.740 62.300 -0.088 0.000 1.052 134 V CB -0.516 31.271 31.823 -0.059 0.000 0.895 134 V HN 0.028 nan 8.190 nan 0.000 0.438 135 I N -1.559 118.932 120.570 -0.131 0.000 3.133 135 I HA 1.087 5.257 4.170 0.000 0.000 0.311 135 I C 0.150 176.159 176.117 -0.180 0.000 1.072 135 I CA -0.570 60.642 61.300 -0.146 0.000 1.015 135 I CB 1.899 39.828 38.000 -0.118 0.000 1.233 135 I HN 0.248 nan 8.210 nan 0.000 0.473 136 G N 1.743 110.407 108.800 -0.228 0.000 2.350 136 G HA2 0.239 4.199 3.960 0.000 0.000 0.305 136 G HA3 0.239 4.199 3.960 0.000 0.000 0.305 136 G C -3.008 171.811 174.900 -0.134 0.000 1.479 136 G CA -0.539 44.433 45.100 -0.213 0.000 0.949 136 G HN 0.381 nan 8.290 nan 0.000 0.651 137 P HA 0.039 nan 4.420 nan 0.000 0.222 137 P C 0.705 177.945 177.300 -0.099 0.000 1.147 137 P CA 1.255 64.347 63.100 -0.012 0.000 0.790 137 P CB 0.135 31.810 31.700 -0.041 0.000 0.780 138 W N -1.787 119.642 121.300 0.215 0.000 2.991 138 W HA 0.217 4.877 4.660 0.000 0.000 0.391 138 W C 1.262 177.816 176.519 0.058 0.000 1.054 138 W CA 0.117 57.586 57.345 0.207 0.000 1.856 138 W CB 0.069 29.636 29.460 0.179 0.000 1.132 138 W HN -0.173 nan 8.180 nan 0.000 0.601 139 T N -1.540 113.065 114.554 0.085 0.000 3.238 139 T HA 0.056 4.406 4.350 0.000 0.000 0.242 139 T C -0.574 174.046 174.700 -0.134 0.000 0.980 139 T CA 0.523 62.588 62.100 -0.059 0.000 1.235 139 T CB 0.294 69.101 68.868 -0.102 0.000 1.069 139 T HN -0.267 nan 8.240 nan 0.000 0.407 140 D N -0.112 120.199 120.400 -0.147 0.000 2.931 140 D HA 0.387 5.027 4.640 0.000 0.000 0.215 140 D C -1.891 174.293 176.300 -0.192 0.000 1.297 140 D CA -0.419 53.480 54.000 -0.169 0.000 0.892 140 D CB 0.974 41.696 40.800 -0.130 0.000 1.642 140 D HN 0.135 nan 8.370 nan 0.000 0.560 141 I N 5.157 125.575 120.570 -0.253 0.000 2.464 141 I HA 0.359 4.529 4.170 0.000 0.000 0.277 141 I C -2.189 173.805 176.117 -0.204 0.000 1.040 141 I CA -1.734 59.413 61.300 -0.255 0.000 1.153 141 I CB 1.771 39.527 38.000 -0.407 0.000 1.274 141 I HN 0.141 nan 8.210 nan 0.000 0.469 142 P HA 0.585 nan 4.420 nan 0.000 0.293 142 P C -0.709 176.542 177.300 -0.082 0.000 1.298 142 P CA -0.412 62.650 63.100 -0.064 0.000 0.757 142 P CB 0.827 32.548 31.700 0.034 0.000 1.262 143 A N -1.760 121.016 122.820 -0.074 0.000 2.515 143 A HA 0.606 4.926 4.320 0.000 0.000 0.292 143 A C -2.976 174.540 177.584 -0.114 0.000 1.065 143 A CA -1.153 50.829 52.037 -0.092 0.000 0.641 143 A CB 0.283 19.227 19.000 -0.093 0.000 1.306 143 A HN 0.258 nan 8.150 nan 0.000 0.441 144 P HA 0.301 nan 4.420 nan 0.000 0.271 144 P C -0.772 176.451 177.300 -0.129 0.000 1.218 144 P CA 0.498 63.502 63.100 -0.160 0.000 0.780 144 P CB 1.028 32.639 31.700 -0.149 0.000 0.901 145 D N 0.393 120.703 120.400 -0.150 0.000 3.374 145 D HA 0.156 4.796 4.640 0.000 0.000 0.259 145 D C -0.512 175.708 176.300 -0.135 0.000 1.376 145 D CA -0.499 53.434 54.000 -0.112 0.000 1.030 145 D CB 1.370 42.123 40.800 -0.078 0.000 1.281 145 D HN -0.070 nan 8.370 nan 0.000 0.637 146 V N 2.750 122.577 119.914 -0.145 0.000 2.539 146 V HA -0.148 3.972 4.120 0.000 0.000 0.300 146 V C -0.129 175.828 176.094 -0.229 0.000 1.019 146 V CA 0.658 62.789 62.300 -0.281 0.000 1.160 146 V CB -1.216 30.429 31.823 -0.296 0.000 0.901 146 V HN 0.543 nan 8.190 nan 0.000 0.481 147 Y N 2.411 122.707 120.300 -0.006 0.000 3.978 147 Y HA -0.227 4.323 4.550 0.000 0.000 0.219 147 Y C 0.976 176.745 175.900 -0.219 0.000 1.153 147 Y CA 0.813 58.893 58.100 -0.033 0.000 1.718 147 Y CB -2.788 35.718 38.460 0.077 0.000 1.541 147 Y HN 0.886 nan 8.280 nan 0.000 0.640 148 T N -1.434 112.976 114.554 -0.240 0.000 2.942 148 T HA 0.833 5.184 4.350 0.000 0.000 0.289 148 T C -0.021 174.507 174.700 -0.287 0.000 1.044 148 T CA -0.238 61.575 62.100 -0.477 0.000 1.023 148 T CB 3.366 71.821 68.868 -0.688 0.000 1.123 148 T HN 0.365 nan 8.240 nan 0.000 0.512 149 N N -1.024 117.489 118.700 -0.312 0.000 3.179 149 N HA 0.434 5.174 4.740 0.000 0.000 0.250 149 N C -2.920 172.433 175.510 -0.261 0.000 1.507 149 N CA -1.864 51.047 53.050 -0.231 0.000 0.883 149 N CB 0.260 38.632 38.487 -0.191 0.000 1.435 149 N HN 0.223 nan 8.380 nan 0.000 0.532 150 P HA -0.208 nan 4.420 nan 0.000 0.216 150 P C 1.075 178.172 177.300 -0.338 0.000 1.150 150 P CA 1.727 64.686 63.100 -0.235 0.000 0.843 150 P CB 0.258 31.847 31.700 -0.185 0.000 0.787 151 K N 0.048 120.197 120.400 -0.419 0.000 2.063 151 K HA -0.144 4.176 4.320 0.000 0.000 0.208 151 K C 1.926 177.932 176.600 -0.989 0.000 1.048 151 K CA 1.508 57.370 56.287 -0.707 0.000 0.928 151 K CB -0.583 31.508 32.500 -0.682 0.000 0.713 151 K HN 0.120 nan 8.250 nan 0.000 0.442 152 I N 0.987 121.165 120.570 -0.653 0.000 2.439 152 I HA -0.238 3.933 4.170 0.000 0.000 0.251 152 I C 2.311 178.303 176.117 -0.208 0.000 1.139 152 I CA 0.554 61.620 61.300 -0.391 0.000 1.438 152 I CB -0.121 37.623 38.000 -0.427 0.000 1.085 152 I HN 0.174 nan 8.210 nan 0.000 0.427 153 M N 0.296 119.747 119.600 -0.248 0.000 2.229 153 M HA -0.065 4.415 4.480 0.000 0.000 0.264 153 M C 2.408 178.641 176.300 -0.111 0.000 1.063 153 M CA 1.582 56.794 55.300 -0.146 0.000 1.114 153 M CB -1.771 30.733 32.600 -0.160 0.000 1.387 153 M HN 0.308 nan 8.290 nan 0.000 0.420 154 G N -0.389 108.283 108.800 -0.213 0.000 2.421 154 G HA2 -0.200 3.760 3.960 0.000 0.000 0.216 154 G HA3 -0.200 3.760 3.960 0.000 0.000 0.216 154 G C 1.230 176.151 174.900 0.035 0.000 1.171 154 G CA 0.341 45.340 45.100 -0.167 0.000 0.775 154 G HN 0.397 nan 8.290 nan 0.000 0.543 155 W N 0.482 121.784 121.300 0.002 0.000 2.363 155 W HA 0.140 4.800 4.660 0.000 0.000 0.296 155 W C 2.643 179.212 176.519 0.083 0.000 1.212 155 W CA 0.457 57.828 57.345 0.043 0.000 1.260 155 W CB -0.911 28.580 29.460 0.052 0.000 1.131 155 W HN 0.219 nan 8.180 nan 0.000 0.530 156 M N -0.676 119.111 119.600 0.311 0.000 2.132 156 M HA -0.211 4.269 4.480 0.000 0.000 0.263 156 M C 2.382 178.839 176.300 0.262 0.000 1.065 156 M CA 1.391 56.855 55.300 0.273 0.000 1.122 156 M CB -0.657 32.075 32.600 0.220 0.000 1.365 156 M HN -0.196 nan 8.290 nan 0.000 0.411 157 M N 0.500 120.215 119.600 0.191 0.000 2.080 157 M HA -0.248 4.232 4.480 0.000 0.000 0.260 157 M C 1.431 177.894 176.300 0.271 0.000 1.068 157 M CA 2.209 57.635 55.300 0.210 0.000 1.109 157 M CB -0.867 31.782 32.600 0.083 0.000 1.342 157 M HN 0.202 nan 8.290 nan 0.000 0.405 158 D N -0.228 120.304 120.400 0.219 0.000 2.117 158 D HA -0.227 4.413 4.640 0.000 0.000 0.197 158 D C 1.837 178.254 176.300 0.194 0.000 0.987 158 D CA 1.678 55.802 54.000 0.207 0.000 0.829 158 D CB -0.007 40.908 40.800 0.192 0.000 0.961 158 D HN 0.420 nan 8.370 nan 0.000 0.460 159 E N -1.166 119.158 120.200 0.206 0.000 2.106 159 E HA -0.188 4.162 4.350 0.000 0.000 0.192 159 E C 1.816 178.507 176.600 0.152 0.000 0.984 159 E CA 0.879 57.372 56.400 0.156 0.000 0.806 159 E CB -0.562 29.238 29.700 0.167 0.000 0.750 159 E HN 0.504 nan 8.360 nan 0.000 0.458 160 Y N 1.308 121.722 120.300 0.191 0.000 2.145 160 Y HA -0.194 4.356 4.550 0.000 0.000 0.286 160 Y C 2.241 178.283 175.900 0.237 0.000 1.145 160 Y CA 2.381 60.638 58.100 0.262 0.000 1.148 160 Y CB -0.219 38.386 38.460 0.242 0.000 0.981 160 Y HN 0.158 nan 8.280 nan 0.000 0.507 161 E N -0.994 119.347 120.200 0.235 0.000 2.118 161 E HA -0.207 4.143 4.350 0.000 0.000 0.195 161 E C 1.886 178.513 176.600 0.044 0.000 0.992 161 E CA 1.868 58.371 56.400 0.171 0.000 0.804 161 E CB -0.100 29.746 29.700 0.244 0.000 0.741 161 E HN 0.518 nan 8.360 nan 0.000 0.458 162 T N 1.005 115.579 114.554 0.032 0.000 2.708 162 T HA -0.125 4.225 4.350 0.000 0.000 0.266 162 T C 1.896 176.540 174.700 -0.095 0.000 1.037 162 T CA 1.376 63.468 62.100 -0.014 0.000 1.146 162 T CB -0.141 68.725 68.868 -0.003 0.000 0.865 162 T HN 0.187 nan 8.240 nan 0.000 0.435 163 I N 0.658 121.113 120.570 -0.190 0.000 2.353 163 I HA -0.036 4.134 4.170 0.000 0.000 0.248 163 I C 2.508 178.440 176.117 -0.308 0.000 1.119 163 I CA 0.923 62.006 61.300 -0.363 0.000 1.417 163 I CB -0.315 37.251 38.000 -0.722 0.000 1.078 163 I HN 0.205 nan 8.210 nan 0.000 0.421 164 M N 0.550 120.011 119.600 -0.232 0.000 2.460 164 M HA -0.127 4.354 4.480 0.000 0.000 0.263 164 M C 0.275 176.571 176.300 -0.007 0.000 1.071 164 M CA 1.196 56.459 55.300 -0.062 0.000 1.096 164 M CB 0.070 32.612 32.600 -0.097 0.000 1.408 164 M HN 0.172 nan 8.290 nan 0.000 0.463 165 R N 0.636 121.119 120.500 -0.028 0.000 3.776 165 R HA -0.188 4.152 4.340 0.000 0.000 0.312 165 R C -0.182 176.133 176.300 0.024 0.000 1.181 165 R CA 1.042 57.141 56.100 -0.003 0.000 0.836 165 R CB -3.060 27.238 30.300 -0.004 0.000 1.324 165 R HN 0.648 nan 8.270 nan 0.000 0.501 166 R N -1.384 119.142 120.500 0.043 0.000 3.641 166 R HA -0.244 4.096 4.340 0.000 0.000 0.286 166 R C 0.795 177.125 176.300 0.050 0.000 1.153 166 R CA 1.561 57.692 56.100 0.052 0.000 0.775 166 R CB -0.744 29.577 30.300 0.035 0.000 1.215 166 R HN 0.144 nan 8.270 nan 0.000 0.474 167 K N -0.131 120.309 120.400 0.067 0.000 2.400 167 K HA 0.168 4.488 4.320 0.000 0.000 0.194 167 K C 0.995 177.646 176.600 0.085 0.000 1.033 167 K CA 1.044 57.372 56.287 0.068 0.000 1.021 167 K CB 0.889 33.432 32.500 0.072 0.000 0.808 167 K HN 0.456 nan 8.250 nan 0.000 0.505 168 G N -0.242 108.623 108.800 0.109 0.000 2.749 168 G HA2 0.307 4.267 3.960 0.000 0.000 0.300 168 G HA3 0.307 4.267 3.960 0.000 0.000 0.300 168 G C -2.791 172.174 174.900 0.108 0.000 1.352 168 G CA -0.948 44.227 45.100 0.125 0.000 0.789 168 G HN -0.185 nan 8.290 nan 0.000 0.509 169 P HA 0.292 nan 4.420 nan 0.000 0.237 169 P C 0.870 178.238 177.300 0.114 0.000 1.788 169 P CA 0.285 63.409 63.100 0.039 0.000 1.061 169 P CB 0.654 32.351 31.700 -0.005 0.000 1.967 170 A N 2.187 125.119 122.820 0.187 0.000 1.978 170 A HA -0.208 4.112 4.320 0.000 0.000 0.220 170 A C 1.637 179.447 177.584 0.376 0.000 1.170 170 A CA 1.098 53.350 52.037 0.359 0.000 0.636 170 A CB -1.296 17.958 19.000 0.423 0.000 0.810 170 A HN 0.231 nan 8.150 nan 0.000 0.448 171 F N 0.346 120.357 119.950 0.101 0.000 2.236 171 F HA -0.121 4.406 4.527 0.000 0.000 0.302 171 F C 2.441 178.258 175.800 0.029 0.000 1.073 171 F CA 0.651 58.692 58.000 0.068 0.000 1.336 171 F CB -1.177 37.870 39.000 0.078 0.000 1.040 171 F HN 0.294 nan 8.300 nan 0.000 0.507 172 G N -1.403 107.509 108.800 0.187 0.000 2.880 172 G HA2 -0.003 3.957 3.960 0.000 0.000 0.209 172 G HA3 -0.003 3.957 3.960 0.000 0.000 0.209 172 G C 1.713 176.688 174.900 0.125 0.000 1.157 172 G CA 0.549 45.703 45.100 0.090 0.000 0.779 172 G HN 0.294 nan 8.290 nan 0.000 0.539 173 V N -0.080 119.818 119.914 -0.026 0.000 2.913 173 V HA 0.350 4.470 4.120 0.000 0.000 0.260 173 V C 0.614 176.623 176.094 -0.141 0.000 1.098 173 V CA 1.085 63.243 62.300 -0.236 0.000 1.121 173 V CB -0.259 31.099 31.823 -0.775 0.000 0.714 173 V HN 0.300 nan 8.190 nan 0.000 0.487 174 I N -0.872 119.677 120.570 -0.035 0.000 2.785 174 I HA 0.406 4.576 4.170 0.000 0.000 0.293 174 I C -0.148 175.963 176.117 -0.011 0.000 1.446 174 I CA 0.051 61.330 61.300 -0.035 0.000 1.028 174 I CB 2.245 40.228 38.000 -0.029 0.000 1.349 174 I HN 0.159 nan 8.210 nan 0.000 0.438 175 T N 1.582 116.118 114.554 -0.031 0.000 2.804 175 T HA 0.670 5.020 4.350 0.000 0.000 0.272 175 T C 0.838 175.500 174.700 -0.063 0.000 0.986 175 T CA -0.158 61.927 62.100 -0.025 0.000 0.999 175 T CB 1.259 70.127 68.868 -0.000 0.000 1.307 175 T HN 1.647 nan 8.240 nan 0.000 0.586 176 G N 0.677 109.439 108.800 -0.063 0.000 2.203 176 G HA2 -0.243 3.717 3.960 0.000 0.000 0.263 176 G HA3 -0.243 3.717 3.960 0.000 0.000 0.263 176 G C -0.005 174.827 174.900 -0.113 0.000 1.012 176 G CA 0.514 45.563 45.100 -0.086 0.000 0.749 176 G HN 0.893 nan 8.290 nan 0.000 0.512 177 K N 0.535 120.865 120.400 -0.116 0.000 2.319 177 K HA 0.314 4.634 4.320 0.000 0.000 0.265 177 K C -2.156 174.346 176.600 -0.164 0.000 1.000 177 K CA -1.464 54.727 56.287 -0.159 0.000 0.943 177 K CB 0.349 32.736 32.500 -0.187 0.000 0.950 177 K HN 0.046 nan 8.250 nan 0.000 0.485 178 P HA -0.063 nan 4.420 nan 0.000 0.265 178 P C 0.591 177.786 177.300 -0.175 0.000 1.187 178 P CA 0.269 63.265 63.100 -0.174 0.000 0.766 178 P CB 0.390 31.977 31.700 -0.188 0.000 0.820 179 L N 2.043 123.182 121.223 -0.141 0.000 2.129 179 L HA -0.254 4.086 4.340 0.000 0.000 0.212 179 L C 2.310 179.069 176.870 -0.185 0.000 1.087 179 L CA 2.289 57.042 54.840 -0.146 0.000 0.757 179 L CB -0.878 41.116 42.059 -0.108 0.000 0.896 179 L HN 0.489 nan 8.230 nan 0.000 0.434 180 S N 0.544 116.145 115.700 -0.165 0.000 2.447 180 S HA -0.094 4.376 4.470 0.000 0.000 0.233 180 S C 1.288 175.773 174.600 -0.191 0.000 1.006 180 S CA 0.751 58.860 58.200 -0.152 0.000 0.957 180 S CB -0.402 62.734 63.200 -0.107 0.000 0.773 180 S HN 0.603 nan 8.310 nan 0.000 0.507 181 I N -3.739 116.643 120.570 -0.312 0.000 3.083 181 I HA 0.723 4.893 4.170 0.000 0.000 0.336 181 I C 0.822 176.347 176.117 -0.987 0.000 1.497 181 I CA -0.330 60.602 61.300 -0.615 0.000 0.936 181 I CB 0.437 38.103 38.000 -0.556 0.000 1.671 181 I HN 0.241 nan 8.210 nan 0.000 0.535 182 G N 0.648 109.160 108.800 -0.480 0.000 2.184 182 G HA2 -0.159 3.801 3.960 0.000 0.000 0.206 182 G HA3 -0.159 3.801 3.960 0.000 0.000 0.206 182 G C 0.573 175.463 174.900 -0.017 0.000 0.995 182 G CA -0.402 44.623 45.100 -0.126 0.000 0.651 182 G HN 0.842 nan 8.290 nan 0.000 0.511 183 G N -0.214 108.503 108.800 -0.139 0.000 2.683 183 G HA2 0.538 4.498 3.960 0.000 0.000 0.260 183 G HA3 0.538 4.498 3.960 0.000 0.000 0.260 183 G C 0.226 175.116 174.900 -0.016 0.000 1.238 183 G CA 0.942 45.994 45.100 -0.080 0.000 0.934 183 G HN 1.431 nan 8.290 nan 0.000 0.534 184 S N -1.222 114.467 115.700 -0.018 0.000 2.538 184 S HA 0.516 4.986 4.470 0.000 0.000 0.288 184 S C -0.059 174.541 174.600 -0.000 0.000 1.108 184 S CA -0.847 57.354 58.200 0.000 0.000 0.971 184 S CB 0.802 63.986 63.200 -0.027 0.000 1.041 184 S HN 0.518 nan 8.310 nan 0.000 0.483 185 L N 3.629 124.865 121.223 0.021 0.000 2.506 185 L HA 0.323 4.663 4.340 0.000 0.000 0.281 185 L C 1.765 178.663 176.870 0.048 0.000 1.228 185 L CA 1.053 55.911 54.840 0.030 0.000 0.850 185 L CB -0.026 42.065 42.059 0.054 0.000 1.110 185 L HN 1.170 nan 8.230 nan 0.000 0.496 186 G N 1.099 109.913 108.800 0.023 0.000 2.199 186 G HA2 -0.273 3.687 3.960 0.000 0.000 0.254 186 G HA3 -0.273 3.687 3.960 0.000 0.000 0.254 186 G C 1.324 176.217 174.900 -0.011 0.000 0.982 186 G CA 0.423 45.537 45.100 0.024 0.000 0.632 186 G HN 0.686 nan 8.290 nan 0.000 0.529 187 R N 0.629 121.116 120.500 -0.021 0.000 2.082 187 R HA -0.080 4.260 4.340 0.000 0.000 0.234 187 R C 2.890 179.148 176.300 -0.070 0.000 1.136 187 R CA 2.485 58.561 56.100 -0.040 0.000 0.935 187 R CB -1.035 29.239 30.300 -0.043 0.000 0.842 187 R HN 0.521 nan 8.270 nan 0.000 0.430 188 G N -0.687 108.062 108.800 -0.085 0.000 2.462 188 G HA2 -0.259 3.701 3.960 0.000 0.000 0.220 188 G HA3 -0.259 3.701 3.960 0.000 0.000 0.220 188 G C 1.215 175.988 174.900 -0.211 0.000 1.121 188 G CA 1.506 46.548 45.100 -0.096 0.000 0.758 188 G HN 0.570 nan 8.290 nan 0.000 0.559 189 T N -2.819 111.542 114.554 -0.322 0.000 3.085 189 T HA 0.618 4.968 4.350 0.000 0.000 0.264 189 T C 2.200 176.751 174.700 -0.247 0.000 1.019 189 T CA 0.926 62.735 62.100 -0.486 0.000 0.910 189 T CB 0.722 69.178 68.868 -0.687 0.000 1.059 189 T HN 0.256 nan 8.240 nan 0.000 0.542 190 A N 2.484 125.222 122.820 -0.137 0.000 1.873 190 A HA -0.125 4.196 4.320 0.000 0.000 0.218 190 A C 2.483 180.030 177.584 -0.063 0.000 1.193 190 A CA 2.460 54.457 52.037 -0.067 0.000 0.629 190 A CB -1.623 17.356 19.000 -0.036 0.000 0.826 190 A HN 0.505 nan 8.150 nan 0.000 0.447 191 T N 0.038 114.559 114.554 -0.055 0.000 2.746 191 T HA 0.009 4.360 4.350 0.000 0.000 0.267 191 T C 2.200 176.866 174.700 -0.057 0.000 1.039 191 T CA 1.688 63.768 62.100 -0.034 0.000 1.142 191 T CB -0.449 68.414 68.868 -0.008 0.000 0.866 191 T HN 0.625 nan 8.240 nan 0.000 0.444 192 A N 1.103 123.874 122.820 -0.083 0.000 1.873 192 A HA -0.102 4.218 4.320 0.000 0.000 0.215 192 A C 2.285 179.752 177.584 -0.195 0.000 1.186 192 A CA 1.751 53.724 52.037 -0.106 0.000 0.616 192 A CB -0.737 18.225 19.000 -0.064 0.000 0.823 192 A HN 0.401 nan 8.150 nan 0.000 0.442 193 Q N 0.139 119.789 119.800 -0.250 0.000 2.096 193 Q HA -0.063 4.277 4.340 0.000 0.000 0.204 193 Q C 1.939 177.626 176.000 -0.521 0.000 0.982 193 Q CA 2.284 57.835 55.803 -0.420 0.000 0.850 193 Q CB -1.115 27.430 28.738 -0.322 0.000 0.901 193 Q HN 0.502 nan 8.270 nan 0.000 0.422 194 G N 0.028 108.713 108.800 -0.192 0.000 2.491 194 G HA2 -0.279 3.681 3.960 0.000 0.000 0.218 194 G HA3 -0.279 3.681 3.960 0.000 0.000 0.218 194 G C 1.507 176.375 174.900 -0.054 0.000 1.180 194 G CA 1.411 46.499 45.100 -0.020 0.000 0.774 194 G HN 0.569 nan 8.290 nan 0.000 0.562 195 A N 0.560 123.329 122.820 -0.085 0.000 1.978 195 A HA -0.018 4.302 4.320 0.000 0.000 0.220 195 A C 2.341 179.853 177.584 -0.121 0.000 1.170 195 A CA 1.484 53.475 52.037 -0.077 0.000 0.636 195 A CB -0.269 18.695 19.000 -0.061 0.000 0.810 195 A HN 0.318 nan 8.150 nan 0.000 0.448 196 I N -1.298 119.148 120.570 -0.206 0.000 2.315 196 I HA -0.154 4.016 4.170 0.000 0.000 0.248 196 I C 2.192 178.209 176.117 -0.167 0.000 1.117 196 I CA 1.117 62.280 61.300 -0.228 0.000 1.404 196 I CB -1.493 36.315 38.000 -0.321 0.000 1.071 196 I HN 0.258 nan 8.210 nan 0.000 0.419 197 F N 1.633 121.536 119.950 -0.078 0.000 2.102 197 F HA -0.202 4.325 4.527 0.000 0.000 0.298 197 F C 2.924 178.611 175.800 -0.187 0.000 1.105 197 F CA 1.768 59.715 58.000 -0.089 0.000 1.239 197 F CB -1.744 37.233 39.000 -0.037 0.000 0.991 197 F HN 0.190 nan 8.300 nan 0.000 0.474 198 T N -1.472 113.070 114.554 -0.020 0.000 2.867 198 T HA -0.147 4.203 4.350 0.000 0.000 0.268 198 T C 2.101 176.544 174.700 -0.428 0.000 1.057 198 T CA 1.329 63.266 62.100 -0.272 0.000 1.136 198 T CB -0.868 67.936 68.868 -0.108 0.000 0.874 198 T HN 0.273 nan 8.240 nan 0.000 0.466 199 I N 0.851 121.282 120.570 -0.233 0.000 2.252 199 I HA -0.065 4.105 4.170 0.000 0.000 0.245 199 I C 3.119 179.104 176.117 -0.220 0.000 1.102 199 I CA 1.210 62.384 61.300 -0.210 0.000 1.385 199 I CB -0.398 37.527 38.000 -0.124 0.000 1.064 199 I HN 0.206 nan 8.210 nan 0.000 0.414 200 R N 0.968 121.374 120.500 -0.155 0.000 2.083 200 R HA -0.204 4.136 4.340 0.000 0.000 0.237 200 R C 2.159 178.353 176.300 -0.177 0.000 1.137 200 R CA 1.666 57.706 56.100 -0.099 0.000 0.951 200 R CB -0.063 30.246 30.300 0.016 0.000 0.851 200 R HN 0.268 nan 8.270 nan 0.000 0.434 201 E N 0.243 120.234 120.200 -0.348 0.000 2.106 201 E HA -0.119 4.231 4.350 0.000 0.000 0.192 201 E C 1.876 177.985 176.600 -0.819 0.000 0.984 201 E CA 1.143 57.245 56.400 -0.495 0.000 0.806 201 E CB -0.290 28.948 29.700 -0.770 0.000 0.750 201 E HN 0.465 nan 8.360 nan 0.000 0.458 202 A N 1.554 123.720 122.820 -1.090 0.000 1.940 202 A HA -0.108 4.212 4.320 0.000 0.000 0.219 202 A C 2.405 179.833 177.584 -0.259 0.000 1.176 202 A CA 2.067 53.727 52.037 -0.629 0.000 0.631 202 A CB -0.514 18.249 19.000 -0.395 0.000 0.814 202 A HN 0.265 nan 8.150 nan 0.000 0.446 203 A N -0.647 122.055 122.820 -0.196 0.000 1.930 203 A HA -0.093 4.227 4.320 0.000 0.000 0.217 203 A C 2.096 179.667 177.584 -0.021 0.000 1.175 203 A CA 1.779 53.769 52.037 -0.078 0.000 0.627 203 A CB -0.383 18.580 19.000 -0.062 0.000 0.815 203 A HN 0.526 nan 8.150 nan 0.000 0.443 204 K N -0.295 120.106 120.400 0.002 0.000 1.991 204 K HA -0.139 4.181 4.320 0.000 0.000 0.212 204 K C 2.237 178.933 176.600 0.160 0.000 1.049 204 K CA 1.302 57.652 56.287 0.106 0.000 0.932 204 K CB -0.358 32.280 32.500 0.230 0.000 0.717 204 K HN 0.389 nan 8.250 nan 0.000 0.441 205 A N 0.513 123.459 122.820 0.210 0.000 1.986 205 A HA -0.174 4.146 4.320 0.000 0.000 0.220 205 A C 1.822 179.468 177.584 0.104 0.000 1.171 205 A CA 1.485 53.607 52.037 0.142 0.000 0.640 205 A CB -0.342 18.372 19.000 -0.476 0.000 0.811 205 A HN 0.249 nan 8.150 nan 0.000 0.451 206 L N -1.611 119.647 121.223 0.058 0.000 2.529 206 L HA 0.275 4.616 4.340 0.000 0.000 0.223 206 L C 1.682 178.591 176.870 0.066 0.000 1.113 206 L CA 1.023 55.908 54.840 0.076 0.000 0.861 206 L CB -0.576 41.512 42.059 0.048 0.000 1.012 206 L HN 0.635 nan 8.230 nan 0.000 0.461 207 G N 0.525 109.361 108.800 0.059 0.000 2.221 207 G HA2 -0.294 3.666 3.960 0.000 0.000 0.265 207 G HA3 -0.294 3.666 3.960 0.000 0.000 0.265 207 G C 0.318 175.237 174.900 0.031 0.000 1.041 207 G CA 0.296 45.423 45.100 0.045 0.000 0.807 207 G HN 0.305 nan 8.290 nan 0.000 0.502 208 I N 0.405 120.988 120.570 0.023 0.000 2.353 208 I HA 0.262 4.432 4.170 0.000 0.000 0.293 208 I C -0.176 175.945 176.117 0.008 0.000 0.992 208 I CA -0.725 60.583 61.300 0.014 0.000 1.268 208 I CB 1.416 39.420 38.000 0.007 0.000 1.387 208 I HN -0.011 nan 8.210 nan 0.000 0.478 209 D N 6.747 127.152 120.400 0.008 0.000 2.380 209 D HA 0.194 4.834 4.640 0.000 0.000 0.230 209 D C 0.906 177.207 176.300 0.002 0.000 1.154 209 D CA -0.114 53.890 54.000 0.005 0.000 0.859 209 D CB 1.227 42.031 40.800 0.007 0.000 1.045 209 D HN 0.447 nan 8.370 nan 0.000 0.495 210 L N 2.525 123.746 121.223 -0.004 0.000 2.275 210 L HA -0.109 4.232 4.340 0.000 0.000 0.215 210 L C 1.644 178.512 176.870 -0.003 0.000 1.119 210 L CA 0.635 55.471 54.840 -0.007 0.000 0.790 210 L CB -0.675 41.375 42.059 -0.016 0.000 0.919 210 L HN 0.370 nan 8.230 nan 0.000 0.443 211 K N 1.157 121.556 120.400 -0.001 0.000 2.402 211 K HA 0.321 4.641 4.320 0.000 0.000 0.279 211 K C 1.188 177.789 176.600 0.002 0.000 1.082 211 K CA 0.618 56.906 56.287 0.001 0.000 1.080 211 K CB -0.980 31.522 32.500 0.003 0.000 0.899 211 K HN 0.498 nan 8.250 nan 0.000 0.469 212 G N 1.054 109.855 108.800 0.001 0.000 2.175 212 G HA2 -0.191 3.769 3.960 0.000 0.000 0.244 212 G HA3 -0.191 3.769 3.960 0.000 0.000 0.244 212 G C 0.368 175.271 174.900 0.004 0.000 0.982 212 G CA 0.320 45.421 45.100 0.002 0.000 0.641 212 G HN 0.705 nan 8.290 nan 0.000 0.527 213 K N 0.437 120.839 120.400 0.004 0.000 2.098 213 K HA 0.559 4.879 4.320 0.000 0.000 0.244 213 K C 0.341 176.946 176.600 0.008 0.000 1.014 213 K CA -0.334 55.957 56.287 0.007 0.000 0.917 213 K CB 0.758 33.262 32.500 0.006 0.000 1.072 213 K HN 0.289 nan 8.250 nan 0.000 0.477 214 K N 0.989 121.399 120.400 0.017 0.000 2.213 214 K HA 0.426 4.746 4.320 0.000 0.000 0.270 214 K C -0.267 176.348 176.600 0.025 0.000 1.002 214 K CA -0.465 55.836 56.287 0.024 0.000 0.868 214 K CB 1.398 33.924 32.500 0.043 0.000 1.093 214 K HN 0.478 nan 8.250 nan 0.000 0.454 215 I N 1.559 122.142 120.570 0.022 0.000 2.441 215 I HA 0.461 4.631 4.170 0.000 0.000 0.295 215 I C -1.155 174.986 176.117 0.040 0.000 0.994 215 I CA -0.595 60.718 61.300 0.023 0.000 1.144 215 I CB 1.355 39.359 38.000 0.008 0.000 1.314 215 I HN 0.735 nan 8.210 nan 0.000 0.445 216 A N 7.283 130.130 122.820 0.046 0.000 2.318 216 A HA 0.686 5.006 4.320 0.000 0.000 0.317 216 A C -1.246 176.371 177.584 0.055 0.000 1.159 216 A CA -0.467 51.606 52.037 0.060 0.000 0.799 216 A CB 1.324 20.363 19.000 0.064 0.000 1.194 216 A HN 0.463 nan 8.150 nan 0.000 0.479 217 V N 3.411 123.369 119.914 0.073 0.000 2.334 217 V HA 0.294 4.414 4.120 0.000 0.000 0.281 217 V C 0.239 176.394 176.094 0.102 0.000 1.016 217 V CA -0.433 61.917 62.300 0.085 0.000 0.832 217 V CB 1.238 33.126 31.823 0.109 0.000 0.999 217 V HN 0.966 nan 8.190 nan 0.000 0.439 218 Q N 3.641 123.489 119.800 0.080 0.000 2.307 218 Q HA 0.550 4.890 4.340 0.000 0.000 0.259 218 Q C 0.219 176.278 176.000 0.098 0.000 0.998 218 Q CA 0.571 56.422 55.803 0.081 0.000 0.923 218 Q CB 0.918 29.690 28.738 0.058 0.000 1.196 218 Q HN 1.134 nan 8.270 nan 0.000 0.416 219 G N 3.167 112.046 108.800 0.132 0.000 2.742 219 G HA2 -0.192 3.768 3.960 0.000 0.000 0.686 219 G HA3 -0.192 3.768 3.960 0.000 0.000 0.686 219 G C -1.522 173.535 174.900 0.262 0.000 1.220 219 G CA -0.746 44.444 45.100 0.150 0.000 0.783 219 G HN 0.591 nan 8.290 nan 0.000 0.646 220 Y N 1.733 122.060 120.300 0.046 0.000 2.720 220 Y HA 0.491 5.041 4.550 0.000 0.000 0.264 220 Y C 1.317 177.247 175.900 0.050 0.000 0.989 220 Y CA 0.315 58.446 58.100 0.053 0.000 1.100 220 Y CB 0.358 38.842 38.460 0.040 0.000 1.196 220 Y HN 1.025 nan 8.280 nan 0.000 0.631 221 G N 0.249 109.081 108.800 0.053 0.000 2.489 221 G HA2 -0.100 3.860 3.960 0.000 0.000 0.271 221 G HA3 -0.100 3.860 3.960 0.000 0.000 0.271 221 G C 0.895 175.774 174.900 -0.035 0.000 1.427 221 G CA 0.109 45.218 45.100 0.014 0.000 1.057 221 G HN 0.392 nan 8.290 nan 0.000 0.532 222 N N -0.589 118.126 118.700 0.024 0.000 2.104 222 N HA -0.120 4.620 4.740 0.000 0.000 0.190 222 N C 2.380 177.975 175.510 0.142 0.000 1.024 222 N CA 2.180 55.296 53.050 0.110 0.000 0.853 222 N CB -0.228 38.347 38.487 0.148 0.000 1.008 222 N HN 0.456 nan 8.380 nan 0.000 0.424 223 A N -0.468 122.394 122.820 0.071 0.000 1.858 223 A HA 0.044 4.364 4.320 0.000 0.000 0.216 223 A C 2.316 179.894 177.584 -0.011 0.000 1.190 223 A CA 1.771 53.834 52.037 0.044 0.000 0.617 223 A CB -1.405 17.613 19.000 0.030 0.000 0.827 223 A HN 0.458 nan 8.150 nan 0.000 0.443 224 G N -1.854 106.919 108.800 -0.045 0.000 2.403 224 G HA2 -0.186 3.774 3.960 0.000 0.000 0.216 224 G HA3 -0.186 3.774 3.960 0.000 0.000 0.216 224 G C 1.534 176.275 174.900 -0.266 0.000 1.154 224 G CA 1.227 46.280 45.100 -0.078 0.000 0.784 224 G HN 0.606 nan 8.290 nan 0.000 0.538 225 Y N 0.601 120.507 120.300 -0.658 0.000 2.114 225 Y HA -0.131 4.419 4.550 0.000 0.000 0.284 225 Y C 2.431 178.054 175.900 -0.461 0.000 1.143 225 Y CA 1.185 58.701 58.100 -0.973 0.000 1.135 225 Y CB -0.540 37.294 38.460 -1.044 0.000 0.980 225 Y HN 0.204 nan 8.280 nan 0.000 0.499 226 Y N 0.612 120.526 120.300 -0.642 0.000 2.293 226 Y HA -0.148 4.402 4.550 0.000 0.000 0.291 226 Y C 2.686 178.363 175.900 -0.372 0.000 1.137 226 Y CA 1.749 59.492 58.100 -0.594 0.000 1.202 226 Y CB -0.967 37.293 38.460 -0.333 0.000 0.990 226 Y HN 0.159 nan 8.280 nan 0.000 0.537 227 T N -0.298 114.189 114.554 -0.113 0.000 2.708 227 T HA -0.207 4.143 4.350 0.000 0.000 0.266 227 T C 2.247 176.884 174.700 -0.104 0.000 1.037 227 T CA 1.367 63.410 62.100 -0.096 0.000 1.146 227 T CB -0.600 68.232 68.868 -0.060 0.000 0.865 227 T HN 0.407 nan 8.240 nan 0.000 0.435 228 A N 1.690 124.441 122.820 -0.115 0.000 1.858 228 A HA -0.123 4.197 4.320 0.000 0.000 0.216 228 A C 2.231 179.753 177.584 -0.102 0.000 1.190 228 A CA 2.005 54.008 52.037 -0.057 0.000 0.617 228 A CB -0.604 18.430 19.000 0.057 0.000 0.827 228 A HN 0.472 nan 8.150 nan 0.000 0.443 229 K N -0.334 119.926 120.400 -0.232 0.000 2.009 229 K HA -0.113 4.207 4.320 0.000 0.000 0.210 229 K C 1.918 178.445 176.600 -0.121 0.000 1.049 229 K CA 1.702 57.856 56.287 -0.221 0.000 0.929 229 K CB -0.332 31.874 32.500 -0.490 0.000 0.714 229 K HN 0.484 nan 8.250 nan 0.000 0.440 230 L N 0.203 121.354 121.223 -0.120 0.000 2.109 230 L HA -0.080 4.261 4.340 0.000 0.000 0.207 230 L C 2.646 179.463 176.870 -0.088 0.000 1.086 230 L CA 0.894 55.675 54.840 -0.098 0.000 0.760 230 L CB -0.552 41.428 42.059 -0.132 0.000 0.910 230 L HN 0.293 nan 8.230 nan 0.000 0.437 231 A N 0.557 123.326 122.820 -0.085 0.000 1.908 231 A HA -0.271 4.050 4.320 0.000 0.000 0.218 231 A C 2.405 179.964 177.584 -0.042 0.000 1.181 231 A CA 2.108 54.108 52.037 -0.063 0.000 0.627 231 A CB -0.421 18.548 19.000 -0.052 0.000 0.818 231 A HN 0.335 nan 8.150 nan 0.000 0.445 232 K N -0.363 120.014 120.400 -0.038 0.000 2.002 232 K HA -0.174 4.146 4.320 0.000 0.000 0.209 232 K C 1.910 178.498 176.600 -0.019 0.000 1.048 232 K CA 1.834 58.107 56.287 -0.023 0.000 0.930 232 K CB -0.178 32.311 32.500 -0.018 0.000 0.714 232 K HN 0.593 nan 8.250 nan 0.000 0.438 233 E N -0.446 119.740 120.200 -0.023 0.000 2.170 233 E HA -0.101 4.249 4.350 0.000 0.000 0.191 233 E C 2.160 178.754 176.600 -0.011 0.000 0.981 233 E CA 0.767 57.159 56.400 -0.012 0.000 0.830 233 E CB 0.304 29.998 29.700 -0.009 0.000 0.775 233 E HN 0.366 nan 8.360 nan 0.000 0.470 234 Q N -0.366 119.420 119.800 -0.024 0.000 2.287 234 Q HA 0.035 4.375 4.340 0.000 0.000 0.201 234 Q C 1.493 177.489 176.000 -0.008 0.000 0.946 234 Q CA 0.409 56.203 55.803 -0.015 0.000 0.868 234 Q CB 0.401 29.117 28.738 -0.037 0.000 0.967 234 Q HN 0.131 nan 8.270 nan 0.000 0.516 235 L N -0.722 120.489 121.223 -0.021 0.000 2.558 235 L HA 0.209 4.549 4.340 0.000 0.000 0.225 235 L C 1.094 177.959 176.870 -0.009 0.000 1.128 235 L CA 1.246 56.077 54.840 -0.015 0.000 0.868 235 L CB -0.205 41.837 42.059 -0.029 0.000 1.006 235 L HN 0.385 nan 8.230 nan 0.000 0.454 236 G N -0.526 108.268 108.800 -0.009 0.000 2.160 236 G HA2 -0.303 3.657 3.960 0.000 0.000 0.244 236 G HA3 -0.303 3.657 3.960 0.000 0.000 0.244 236 G C 0.433 175.329 174.900 -0.007 0.000 1.022 236 G CA 0.312 45.408 45.100 -0.005 0.000 0.741 236 G HN 0.266 nan 8.290 nan 0.000 0.508 237 M N 0.388 119.981 119.600 -0.011 0.000 2.342 237 M HA 0.376 4.856 4.480 0.000 0.000 0.332 237 M C 0.406 176.701 176.300 -0.008 0.000 1.166 237 M CA -0.036 55.258 55.300 -0.009 0.000 1.086 237 M CB 1.181 33.773 32.600 -0.013 0.000 1.541 237 M HN 0.055 nan 8.290 nan 0.000 0.462 238 T N 2.111 116.662 114.554 -0.006 0.000 2.747 238 T HA 0.280 4.630 4.350 0.000 0.000 0.301 238 T C -0.056 174.640 174.700 -0.007 0.000 0.952 238 T CA -0.514 61.580 62.100 -0.009 0.000 0.983 238 T CB 0.027 68.889 68.868 -0.010 0.000 0.930 238 T HN 0.368 nan 8.240 nan 0.000 0.494 239 V N 5.787 125.695 119.914 -0.011 0.000 2.341 239 V HA 0.021 4.141 4.120 0.000 0.000 0.248 239 V C 1.610 177.693 176.094 -0.019 0.000 1.107 239 V CA 0.009 62.307 62.300 -0.003 0.000 1.069 239 V CB -0.292 31.532 31.823 0.002 0.000 1.177 239 V HN 0.886 nan 8.190 nan 0.000 0.492 240 V N 1.637 121.551 119.914 0.001 0.000 3.541 240 V HA 0.624 4.745 4.120 0.000 0.000 0.267 240 V C 0.783 176.898 176.094 0.035 0.000 1.213 240 V CA 0.781 63.064 62.300 -0.028 0.000 1.149 240 V CB -0.221 31.615 31.823 0.022 0.000 0.822 240 V HN 0.810 nan 8.190 nan 0.000 0.462 241 A N 0.366 123.230 122.820 0.073 0.000 2.513 241 A HA 0.776 5.096 4.320 0.000 0.000 0.296 241 A C -0.819 176.794 177.584 0.050 0.000 1.052 241 A CA 0.090 52.191 52.037 0.106 0.000 0.714 241 A CB 1.754 20.872 19.000 0.197 0.000 1.279 241 A HN 1.340 nan 8.150 nan 0.000 0.397 242 V N -0.476 119.435 119.914 -0.004 0.000 3.160 242 V HA 1.038 5.159 4.120 0.000 0.000 0.310 242 V C -0.194 175.878 176.094 -0.036 0.000 1.181 242 V CA -0.212 62.081 62.300 -0.013 0.000 1.047 242 V CB 1.521 33.258 31.823 -0.143 0.000 1.068 242 V HN 2.149 nan 8.190 nan 0.000 0.441 243 S N 0.063 115.770 115.700 0.011 0.000 2.565 243 S HA 0.828 5.298 4.470 0.000 0.000 0.269 243 S C -1.449 173.195 174.600 0.074 0.000 1.153 243 S CA -0.181 58.032 58.200 0.022 0.000 0.835 243 S CB 2.171 65.397 63.200 0.043 0.000 1.122 243 S HN 1.440 nan 8.310 nan 0.000 0.462 244 D N 0.188 120.628 120.400 0.067 0.000 2.846 244 D HA 0.515 5.155 4.640 0.000 0.000 0.273 244 D C 1.500 177.843 176.300 0.072 0.000 1.145 244 D CA 0.098 54.155 54.000 0.094 0.000 1.091 244 D CB -0.055 40.811 40.800 0.110 0.000 1.364 244 D HN 0.625 nan 8.370 nan 0.000 0.613 245 S N -1.283 114.460 115.700 0.071 0.000 2.356 245 S HA -0.198 4.272 4.470 0.000 0.000 0.223 245 S C 2.165 176.797 174.600 0.053 0.000 1.032 245 S CA 1.846 60.082 58.200 0.059 0.000 1.005 245 S CB -1.221 62.015 63.200 0.060 0.000 0.867 245 S HN 0.725 nan 8.310 nan 0.000 0.449 246 R N 1.762 122.295 120.500 0.057 0.000 2.339 246 R HA 0.524 4.864 4.340 0.000 0.000 0.199 246 R C 1.257 177.589 176.300 0.054 0.000 1.018 246 R CA 1.084 57.216 56.100 0.053 0.000 1.036 246 R CB -1.682 28.653 30.300 0.057 0.000 0.899 246 R HN 1.404 nan 8.270 nan 0.000 0.473 247 G N -3.462 105.369 108.800 0.052 0.000 2.359 247 G HA2 0.463 4.423 3.960 0.000 0.000 0.303 247 G HA3 0.463 4.423 3.960 0.000 0.000 0.303 247 G C -0.145 174.780 174.900 0.043 0.000 1.293 247 G CA -0.196 44.933 45.100 0.047 0.000 0.964 247 G HN 1.081 nan 8.290 nan 0.000 0.531 248 G N -1.055 107.768 108.800 0.038 0.000 2.569 248 G HA2 0.932 4.892 3.960 0.000 0.000 0.300 248 G HA3 0.932 4.892 3.960 0.000 0.000 0.300 248 G C -0.346 174.577 174.900 0.039 0.000 1.269 248 G CA -0.182 44.935 45.100 0.029 0.000 0.959 248 G HN 1.661 nan 8.290 nan 0.000 0.478 249 I N -2.114 118.472 120.570 0.026 0.000 2.785 249 I HA 0.834 5.004 4.170 0.000 0.000 0.302 249 I C -1.747 174.437 176.117 0.112 0.000 1.069 249 I CA -1.393 59.939 61.300 0.053 0.000 1.045 249 I CB 2.727 40.730 38.000 0.004 0.000 1.236 249 I HN 0.481 nan 8.210 nan 0.000 0.429 250 Y N 3.730 124.020 120.300 -0.018 0.000 2.470 250 Y HA 0.620 5.170 4.550 0.000 0.000 0.341 250 Y C -1.661 174.235 175.900 -0.005 0.000 1.021 250 Y CA -0.802 57.289 58.100 -0.015 0.000 1.025 250 Y CB 1.854 40.309 38.460 -0.007 0.000 1.266 250 Y HN 0.792 nan 8.280 nan 0.000 0.448 251 N N 7.550 125.777 118.700 -0.787 0.000 2.616 251 N HA 0.283 5.023 4.740 0.000 0.000 0.281 251 N C -2.719 172.375 175.510 -0.695 0.000 1.145 251 N CA -1.857 50.797 53.050 -0.660 0.000 0.919 251 N CB 2.620 40.953 38.487 -0.257 0.000 1.509 251 N HN 0.411 nan 8.380 nan 0.000 0.537 252 P HA -0.009 nan 4.420 nan 0.000 0.222 252 P C 0.039 177.241 177.300 -0.164 0.000 1.147 252 P CA 1.006 63.902 63.100 -0.339 0.000 0.790 252 P CB 0.563 32.173 31.700 -0.151 0.000 0.780 253 D N -0.234 120.071 120.400 -0.158 0.000 2.339 253 D HA 0.223 4.863 4.640 0.000 0.000 0.217 253 D C 1.058 177.312 176.300 -0.078 0.000 1.050 253 D CA 0.617 54.564 54.000 -0.089 0.000 0.856 253 D CB 0.331 41.089 40.800 -0.070 0.000 0.922 253 D HN 0.182 nan 8.370 nan 0.000 0.518 254 G N 0.614 109.350 108.800 -0.106 0.000 2.697 254 G HA2 -0.131 3.829 3.960 0.000 0.000 0.686 254 G HA3 -0.131 3.829 3.960 0.000 0.000 0.686 254 G C -0.983 173.875 174.900 -0.070 0.000 1.179 254 G CA -0.924 44.131 45.100 -0.075 0.000 0.765 254 G HN 0.123 nan 8.290 nan 0.000 0.649 255 L N 0.636 121.815 121.223 -0.074 0.000 2.334 255 L HA 0.541 4.881 4.340 0.000 0.000 0.276 255 L C 0.094 176.926 176.870 -0.064 0.000 1.014 255 L CA -0.924 53.856 54.840 -0.100 0.000 0.815 255 L CB 2.019 43.960 42.059 -0.198 0.000 1.268 255 L HN 0.721 nan 8.230 nan 0.000 0.428 256 D N 3.051 123.424 120.400 -0.045 0.000 2.339 256 D HA 0.196 4.836 4.640 0.000 0.000 0.241 256 D C -1.729 174.572 176.300 0.001 0.000 1.183 256 D CA -1.466 52.537 54.000 0.004 0.000 0.859 256 D CB 1.464 42.298 40.800 0.057 0.000 1.067 256 D HN 0.190 nan 8.370 nan 0.000 0.484 257 P HA -0.138 nan 4.420 nan 0.000 0.218 257 P C 0.537 178.025 177.300 0.314 0.000 1.148 257 P CA 0.915 64.144 63.100 0.215 0.000 0.822 257 P CB 0.261 32.052 31.700 0.152 0.000 0.784 258 D N -0.684 119.852 120.400 0.226 0.000 2.149 258 D HA -0.109 4.531 4.640 0.000 0.000 0.201 258 D C 1.814 178.180 176.300 0.110 0.000 0.972 258 D CA 0.978 55.085 54.000 0.179 0.000 0.835 258 D CB -0.133 40.756 40.800 0.148 0.000 0.966 258 D HN 0.334 nan 8.370 nan 0.000 0.476 259 E N 0.506 120.778 120.200 0.118 0.000 2.072 259 E HA -0.098 4.252 4.350 0.000 0.000 0.191 259 E C 2.337 179.065 176.600 0.214 0.000 0.985 259 E CA 0.439 56.957 56.400 0.197 0.000 0.801 259 E CB 0.223 30.090 29.700 0.279 0.000 0.750 259 E HN 0.037 nan 8.360 nan 0.000 0.452 260 V N 1.346 121.183 119.914 -0.128 0.000 2.407 260 V HA -0.231 3.889 4.120 0.000 0.000 0.248 260 V C 2.274 178.372 176.094 0.005 0.000 1.055 260 V CA 1.288 63.361 62.300 -0.378 0.000 1.049 260 V CB -0.327 31.076 31.823 -0.700 0.000 0.662 260 V HN 0.231 nan 8.190 nan 0.000 0.455 261 L N 0.418 121.705 121.223 0.106 0.000 2.093 261 L HA -0.124 4.217 4.340 0.000 0.000 0.208 261 L C 2.389 179.279 176.870 0.035 0.000 1.085 261 L CA 2.055 56.928 54.840 0.056 0.000 0.755 261 L CB -0.641 41.211 42.059 -0.346 0.000 0.904 261 L HN 0.216 nan 8.230 nan 0.000 0.435 262 K N -0.509 119.940 120.400 0.082 0.000 2.032 262 K HA -0.274 4.046 4.320 0.000 0.000 0.209 262 K C 2.058 178.770 176.600 0.187 0.000 1.048 262 K CA 2.090 58.442 56.287 0.108 0.000 0.927 262 K CB -1.012 31.578 32.500 0.149 0.000 0.712 262 K HN 0.597 nan 8.250 nan 0.000 0.441 263 W N 1.736 123.104 121.300 0.113 0.000 2.355 263 W HA -0.242 4.418 4.660 0.000 0.000 0.309 263 W C 1.841 178.429 176.519 0.115 0.000 1.206 263 W CA 2.104 59.567 57.345 0.196 0.000 1.284 263 W CB -0.274 29.447 29.460 0.435 0.000 1.145 263 W HN 0.211 nan 8.180 nan 0.000 0.502 264 K N 0.562 121.142 120.400 0.301 0.000 2.074 264 K HA -0.273 4.047 4.320 0.000 0.000 0.209 264 K C 2.471 179.064 176.600 -0.012 0.000 1.048 264 K CA 2.926 59.289 56.287 0.127 0.000 0.926 264 K CB -0.358 32.223 32.500 0.135 0.000 0.713 264 K HN 0.071 nan 8.250 nan 0.000 0.444 265 R N 1.223 121.705 120.500 -0.031 0.000 2.148 265 R HA -0.062 4.278 4.340 0.000 0.000 0.223 265 R C 1.867 178.060 176.300 -0.177 0.000 1.088 265 R CA 1.773 57.822 56.100 -0.086 0.000 0.985 265 R CB -0.867 29.389 30.300 -0.074 0.000 0.880 265 R HN 0.539 nan 8.270 nan 0.000 0.451 266 E N -0.803 119.214 120.200 -0.306 0.000 2.086 266 E HA -0.045 4.305 4.350 0.000 0.000 0.190 266 E C 0.969 177.116 176.600 -0.755 0.000 0.975 266 E CA 1.234 57.281 56.400 -0.587 0.000 0.813 266 E CB 0.175 29.357 29.700 -0.865 0.000 0.768 266 E HN 0.878 nan 8.360 nan 0.000 0.457 267 H N -1.864 116.981 119.070 -0.375 0.000 2.674 267 H HA 0.285 4.841 4.556 0.000 0.000 0.274 267 H C 0.968 176.167 175.328 -0.214 0.000 1.121 267 H CA 0.138 55.945 56.048 -0.401 0.000 1.132 267 H CB 1.449 30.743 29.762 -0.779 0.000 1.606 267 H HN 0.305 nan 8.280 nan 0.000 0.558 268 G N 0.577 109.326 108.800 -0.084 0.000 2.396 268 G HA2 -0.344 3.616 3.960 0.000 0.000 0.242 268 G HA3 -0.344 3.616 3.960 0.000 0.000 0.242 268 G C 0.519 175.435 174.900 0.026 0.000 1.069 268 G CA 0.573 45.660 45.100 -0.021 0.000 0.633 268 G HN 0.586 nan 8.290 nan 0.000 0.517 269 S N -1.741 113.992 115.700 0.054 0.000 2.607 269 S HA 0.575 5.046 4.470 0.000 0.000 0.273 269 S C 1.220 175.954 174.600 0.223 0.000 1.148 269 S CA 0.671 58.937 58.200 0.110 0.000 0.833 269 S CB 1.603 64.862 63.200 0.098 0.000 1.130 269 S HN 1.640 nan 8.310 nan 0.000 0.470 270 V N 0.682 120.707 119.914 0.184 0.000 3.217 270 V HA 0.318 4.438 4.120 0.000 0.000 0.264 270 V C 0.938 177.220 176.094 0.313 0.000 1.135 270 V CA 0.813 63.245 62.300 0.219 0.000 1.142 270 V CB -1.245 30.498 31.823 -0.134 0.000 0.754 270 V HN 0.748 nan 8.190 nan 0.000 0.484 271 K N 1.197 121.760 120.400 0.272 0.000 2.484 271 K HA -0.033 4.287 4.320 0.000 0.000 0.280 271 K C 0.516 177.358 176.600 0.403 0.000 1.013 271 K CA 1.028 57.460 56.287 0.243 0.000 1.029 271 K CB -0.100 32.497 32.500 0.163 0.000 0.902 271 K HN 0.527 nan 8.250 nan 0.000 0.481 272 D N 1.876 122.418 120.400 0.238 0.000 2.876 272 D HA -0.243 4.397 4.640 0.000 0.000 0.196 272 D C -0.338 175.928 176.300 -0.057 0.000 1.014 272 D CA 0.646 54.754 54.000 0.180 0.000 1.012 272 D CB -1.347 39.618 40.800 0.275 0.000 1.080 272 D HN 0.518 nan 8.370 nan 0.000 0.438 273 F N 1.765 121.442 119.950 -0.456 0.000 2.548 273 F HA -0.000 4.527 4.527 0.000 0.000 0.403 273 F C -1.222 174.146 175.800 -0.719 0.000 1.004 273 F CA -0.619 56.683 58.000 -1.164 0.000 1.177 273 F CB 0.661 39.227 39.000 -0.724 0.000 0.974 273 F HN -0.150 nan 8.300 nan 0.000 0.541 274 P HA -0.200 nan 4.420 nan 0.000 0.216 274 P C 1.672 178.649 177.300 -0.537 0.000 1.157 274 P CA 2.462 65.063 63.100 -0.831 0.000 0.880 274 P CB -0.160 31.050 31.700 -0.817 0.000 0.791 275 G N -0.788 107.662 108.800 -0.582 0.000 2.442 275 G HA2 -0.086 3.874 3.960 0.000 0.000 0.219 275 G HA3 -0.086 3.874 3.960 0.000 0.000 0.219 275 G C 0.699 175.543 174.900 -0.094 0.000 1.141 275 G CA 0.855 45.833 45.100 -0.204 0.000 0.763 275 G HN 0.544 nan 8.290 nan 0.000 0.554 276 A N -0.868 121.931 122.820 -0.036 0.000 2.256 276 A HA 0.691 5.011 4.320 0.000 0.000 0.318 276 A C -0.068 177.523 177.584 0.011 0.000 1.103 276 A CA -0.280 51.770 52.037 0.021 0.000 0.860 276 A CB 0.873 19.938 19.000 0.108 0.000 1.182 276 A HN 0.084 nan 8.150 nan 0.000 0.501 277 T N 2.527 117.113 114.554 0.053 0.000 2.749 277 T HA 0.248 4.598 4.350 0.000 0.000 0.287 277 T C -0.046 174.716 174.700 0.104 0.000 0.970 277 T CA -0.526 61.626 62.100 0.086 0.000 0.980 277 T CB 0.115 69.074 68.868 0.152 0.000 0.924 277 T HN 0.594 nan 8.240 nan 0.000 0.456 278 N N 3.741 122.483 118.700 0.070 0.000 2.454 278 N HA 0.269 5.009 4.740 0.000 0.000 0.260 278 N C -0.015 175.530 175.510 0.059 0.000 1.218 278 N CA 0.220 53.309 53.050 0.066 0.000 0.904 278 N CB 0.739 39.260 38.487 0.056 0.000 1.065 278 N HN 0.681 nan 8.380 nan 0.000 0.462 279 I N -2.663 117.938 120.570 0.052 0.000 3.174 279 I HA 0.498 4.668 4.170 0.000 0.000 0.313 279 I C 0.271 176.399 176.117 0.018 0.000 1.155 279 I CA -1.084 60.230 61.300 0.022 0.000 0.977 279 I CB 2.028 40.027 38.000 -0.001 0.000 1.248 279 I HN 0.282 nan 8.210 nan 0.000 0.453 280 T N -1.096 113.461 114.554 0.004 0.000 2.882 280 T HA 0.267 4.617 4.350 0.000 0.000 0.287 280 T C 0.745 175.450 174.700 0.009 0.000 1.014 280 T CA -0.557 61.549 62.100 0.009 0.000 1.049 280 T CB 0.972 69.842 68.868 0.004 0.000 1.001 280 T HN 0.670 nan 8.240 nan 0.000 0.525 281 N N 0.490 119.200 118.700 0.017 0.000 2.149 281 N HA -0.142 4.598 4.740 0.000 0.000 0.188 281 N C 1.662 177.178 175.510 0.012 0.000 1.019 281 N CA 1.080 54.142 53.050 0.020 0.000 0.857 281 N CB -0.043 38.460 38.487 0.026 0.000 0.997 281 N HN 0.653 nan 8.380 nan 0.000 0.426 282 E N 1.148 121.351 120.200 0.006 0.000 2.216 282 E HA -0.067 4.283 4.350 0.000 0.000 0.192 282 E C 1.358 177.951 176.600 -0.013 0.000 0.988 282 E CA 0.409 56.809 56.400 -0.000 0.000 0.834 282 E CB 0.189 29.890 29.700 0.001 0.000 0.772 282 E HN 0.439 nan 8.360 nan 0.000 0.479 283 E N 0.521 120.708 120.200 -0.022 0.000 2.150 283 E HA -0.146 4.204 4.350 0.000 0.000 0.193 283 E C 2.212 178.776 176.600 -0.060 0.000 0.985 283 E CA 0.361 56.732 56.400 -0.049 0.000 0.814 283 E CB 0.012 29.675 29.700 -0.062 0.000 0.752 283 E HN 0.139 nan 8.360 nan 0.000 0.466 284 L N 0.934 122.138 121.223 -0.031 0.000 1.994 284 L HA -0.209 4.131 4.340 0.000 0.000 0.208 284 L C 2.170 179.036 176.870 -0.006 0.000 1.071 284 L CA 1.316 56.148 54.840 -0.013 0.000 0.745 284 L CB -0.168 41.901 42.059 0.017 0.000 0.892 284 L HN 0.137 nan 8.230 nan 0.000 0.431 285 L N -0.469 120.755 121.223 0.001 0.000 2.263 285 L HA -0.230 4.110 4.340 0.000 0.000 0.216 285 L C 1.799 178.669 176.870 -0.001 0.000 1.111 285 L CA 1.252 56.096 54.840 0.006 0.000 0.773 285 L CB -0.600 41.465 42.059 0.010 0.000 0.906 285 L HN 0.450 nan 8.230 nan 0.000 0.439 286 E N -0.301 119.888 120.200 -0.017 0.000 2.501 286 E HA 0.194 4.544 4.350 0.000 0.000 0.201 286 E C 0.313 176.892 176.600 -0.034 0.000 1.016 286 E CA -0.266 56.121 56.400 -0.021 0.000 0.920 286 E CB 0.410 30.094 29.700 -0.027 0.000 1.023 286 E HN 0.416 nan 8.360 nan 0.000 0.474 287 L N 1.929 123.128 121.223 -0.040 0.000 2.461 287 L HA 0.073 4.413 4.340 0.000 0.000 0.272 287 L C 0.785 177.649 176.870 -0.009 0.000 1.197 287 L CA 0.125 54.935 54.840 -0.050 0.000 0.836 287 L CB 0.351 42.385 42.059 -0.042 0.000 1.105 287 L HN 0.070 nan 8.230 nan 0.000 0.477 288 E N 2.997 123.195 120.200 -0.002 0.000 1.944 288 E HA 0.281 4.631 4.350 0.000 0.000 0.272 288 E C -1.019 175.604 176.600 0.038 0.000 1.195 288 E CA -0.388 56.023 56.400 0.018 0.000 0.926 288 E CB 0.387 30.098 29.700 0.018 0.000 1.051 288 E HN 0.400 nan 8.360 nan 0.000 0.404 289 V N 0.846 120.781 119.914 0.034 0.000 3.102 289 V HA 0.359 4.479 4.120 0.000 0.000 0.312 289 V C 0.231 176.341 176.094 0.026 0.000 1.135 289 V CA -0.836 61.487 62.300 0.038 0.000 1.022 289 V CB 1.964 33.813 31.823 0.044 0.000 1.056 289 V HN 0.328 nan 8.190 nan 0.000 0.436 290 D N 0.719 121.131 120.400 0.021 0.000 2.137 290 D HA 0.099 4.739 4.640 0.000 0.000 0.202 290 D C 0.530 176.835 176.300 0.008 0.000 0.970 290 D CA 1.478 55.486 54.000 0.014 0.000 0.837 290 D CB 0.173 40.978 40.800 0.009 0.000 0.981 290 D HN 0.455 nan 8.370 nan 0.000 0.475 291 V N 1.486 121.404 119.914 0.006 0.000 2.448 291 V HA 0.355 4.475 4.120 0.000 0.000 0.295 291 V C -0.666 175.435 176.094 0.012 0.000 1.025 291 V CA -1.001 61.300 62.300 0.001 0.000 0.859 291 V CB 1.955 33.770 31.823 -0.014 0.000 0.988 291 V HN -0.033 nan 8.190 nan 0.000 0.431 292 L N 4.896 126.128 121.223 0.015 0.000 2.296 292 L HA 0.896 5.236 4.340 0.000 0.000 0.286 292 L C 0.185 177.067 176.870 0.021 0.000 1.023 292 L CA -0.167 54.686 54.840 0.022 0.000 0.812 292 L CB 1.366 43.440 42.059 0.025 0.000 1.223 292 L HN 0.725 nan 8.230 nan 0.000 0.421 293 A N 6.368 129.202 122.820 0.025 0.000 2.399 293 A HA 0.712 5.032 4.320 0.000 0.000 0.327 293 A C -2.566 175.039 177.584 0.035 0.000 1.367 293 A CA -1.436 50.615 52.037 0.023 0.000 0.842 293 A CB 0.021 19.028 19.000 0.012 0.000 1.142 293 A HN 0.617 nan 8.150 nan 0.000 0.495 294 P HA 0.241 nan 4.420 nan 0.000 0.267 294 P C 0.320 177.647 177.300 0.045 0.000 1.328 294 P CA 0.504 63.630 63.100 0.043 0.000 0.990 294 P CB 1.000 32.725 31.700 0.043 0.000 1.168 295 A N 2.944 125.793 122.820 0.048 0.000 2.701 295 A HA 0.637 4.957 4.320 0.000 0.000 0.297 295 A C 0.922 178.536 177.584 0.051 0.000 1.197 295 A CA 0.309 52.373 52.037 0.046 0.000 0.963 295 A CB -0.072 18.951 19.000 0.038 0.000 1.175 295 A HN 0.438 nan 8.150 nan 0.000 0.531 296 A N 0.203 123.052 122.820 0.049 0.000 2.385 296 A HA 0.777 5.097 4.320 0.000 0.000 0.209 296 A C 0.507 178.110 177.584 0.032 0.000 2.123 296 A CA 0.403 52.469 52.037 0.048 0.000 1.674 296 A CB -0.426 18.608 19.000 0.056 0.000 1.212 296 A HN 0.739 nan 8.150 nan 0.000 0.422 297 I N -1.879 118.707 120.570 0.028 0.000 3.501 297 I HA 0.715 4.885 4.170 0.000 0.000 0.297 297 I C -0.593 175.528 176.117 0.007 0.000 1.199 297 I CA -0.906 60.402 61.300 0.014 0.000 0.987 297 I CB 0.502 38.511 38.000 0.015 0.000 1.365 297 I HN 0.185 nan 8.210 nan 0.000 0.574 298 E N 0.239 120.434 120.200 -0.008 0.000 2.283 298 E HA 0.284 4.635 4.350 0.000 0.000 0.271 298 E C -0.648 175.947 176.600 -0.007 0.000 1.031 298 E CA -0.367 56.023 56.400 -0.016 0.000 0.868 298 E CB 0.692 30.366 29.700 -0.043 0.000 1.094 298 E HN 0.647 nan 8.360 nan 0.000 0.401 299 E N -0.408 119.790 120.200 -0.004 0.000 2.637 299 E HA -0.212 4.138 4.350 0.000 0.000 0.265 299 E C 0.598 177.201 176.600 0.005 0.000 1.073 299 E CA 0.613 57.012 56.400 -0.002 0.000 0.778 299 E CB -1.414 28.280 29.700 -0.010 0.000 1.362 299 E HN 0.390 nan 8.360 nan 0.000 0.413 300 V N -2.678 117.243 119.914 0.012 0.000 2.788 300 V HA 0.153 4.273 4.120 0.000 0.000 0.251 300 V C 1.097 177.201 176.094 0.016 0.000 1.068 300 V CA 1.035 63.344 62.300 0.015 0.000 1.090 300 V CB -0.071 31.764 31.823 0.021 0.000 0.710 300 V HN 0.270 nan 8.190 nan 0.000 0.467 301 I N 2.555 123.136 120.570 0.018 0.000 2.362 301 I HA 0.588 4.758 4.170 0.000 0.000 0.289 301 I C 0.232 176.357 176.117 0.013 0.000 0.994 301 I CA 0.072 61.383 61.300 0.018 0.000 1.158 301 I CB 1.645 39.661 38.000 0.026 0.000 1.315 301 I HN 0.377 nan 8.210 nan 0.000 0.451 302 T N 0.168 114.727 114.554 0.009 0.000 2.669 302 T HA 0.448 4.798 4.350 0.000 0.000 0.283 302 T C 1.004 175.706 174.700 0.004 0.000 1.019 302 T CA 0.068 62.170 62.100 0.004 0.000 1.039 302 T CB 1.252 70.121 68.868 0.002 0.000 1.374 302 T HN 0.474 nan 8.240 nan 0.000 0.523 303 E N 0.004 120.204 120.200 0.000 0.000 2.118 303 E HA -0.049 4.301 4.350 0.000 0.000 0.195 303 E C 2.392 178.994 176.600 0.003 0.000 0.992 303 E CA 2.592 58.992 56.400 0.001 0.000 0.804 303 E CB -1.713 27.987 29.700 -0.001 0.000 0.741 303 E HN 0.976 nan 8.360 nan 0.000 0.458 304 K N 1.414 121.815 120.400 0.003 0.000 2.097 304 K HA -0.125 4.195 4.320 0.000 0.000 0.205 304 K C 1.753 178.356 176.600 0.004 0.000 1.050 304 K CA 1.822 58.111 56.287 0.003 0.000 0.938 304 K CB -0.508 31.994 32.500 0.002 0.000 0.718 304 K HN 0.698 nan 8.250 nan 0.000 0.442 305 N N -1.537 117.166 118.700 0.006 0.000 2.159 305 N HA 0.284 5.024 4.740 0.000 0.000 0.217 305 N C 1.696 177.212 175.510 0.009 0.000 1.223 305 N CA 0.755 53.809 53.050 0.006 0.000 0.896 305 N CB 0.164 38.654 38.487 0.006 0.000 1.064 305 N HN 0.273 nan 8.380 nan 0.000 0.518 306 A N 1.317 124.144 122.820 0.012 0.000 1.940 306 A HA -0.198 4.122 4.320 0.000 0.000 0.219 306 A C 1.816 179.411 177.584 0.018 0.000 1.176 306 A CA 1.932 53.979 52.037 0.017 0.000 0.631 306 A CB -0.910 18.100 19.000 0.017 0.000 0.814 306 A HN 0.333 nan 8.150 nan 0.000 0.446 307 D N -0.840 119.569 120.400 0.014 0.000 2.350 307 D HA -0.056 4.584 4.640 0.000 0.000 0.216 307 D C 1.391 177.698 176.300 0.012 0.000 0.968 307 D CA 1.180 55.189 54.000 0.014 0.000 0.894 307 D CB -0.254 40.553 40.800 0.012 0.000 0.909 307 D HN 0.682 nan 8.370 nan 0.000 0.520 308 N N -0.606 118.099 118.700 0.009 0.000 2.325 308 N HA 0.066 4.807 4.740 0.000 0.000 0.182 308 N C -0.237 175.276 175.510 0.005 0.000 1.088 308 N CA -0.279 52.774 53.050 0.005 0.000 0.879 308 N CB 0.544 39.031 38.487 0.000 0.000 0.983 308 N HN 0.087 nan 8.380 nan 0.000 0.471 309 I N 1.689 122.266 120.570 0.011 0.000 2.752 309 I HA -0.088 4.082 4.170 0.000 0.000 0.289 309 I C 1.074 177.200 176.117 0.015 0.000 1.197 309 I CA 0.908 62.217 61.300 0.014 0.000 1.432 309 I CB 0.557 38.571 38.000 0.022 0.000 1.359 309 I HN 0.142 nan 8.210 nan 0.000 0.571 310 K N 3.891 124.298 120.400 0.013 0.000 2.402 310 K HA 0.286 4.606 4.320 0.000 0.000 0.204 310 K C 0.489 177.100 176.600 0.019 0.000 1.056 310 K CA -0.115 56.180 56.287 0.014 0.000 1.069 310 K CB 0.786 33.291 32.500 0.008 0.000 0.888 310 K HN 0.733 nan 8.250 nan 0.000 0.546 311 A N 1.410 124.242 122.820 0.021 0.000 2.477 311 A HA 0.055 4.375 4.320 0.000 0.000 0.246 311 A C 0.604 178.202 177.584 0.024 0.000 1.078 311 A CA 0.111 52.161 52.037 0.022 0.000 0.770 311 A CB 0.422 19.435 19.000 0.022 0.000 1.011 311 A HN 0.160 nan 8.150 nan 0.000 0.494 312 K N 1.218 121.632 120.400 0.022 0.000 2.103 312 K HA 0.113 4.433 4.320 0.000 0.000 0.204 312 K C -0.145 176.469 176.600 0.022 0.000 1.052 312 K CA 1.095 57.397 56.287 0.025 0.000 0.945 312 K CB -0.043 32.471 32.500 0.023 0.000 0.722 312 K HN 0.734 nan 8.250 nan 0.000 0.443 313 I N 0.692 121.270 120.570 0.012 0.000 2.433 313 I HA 0.173 4.344 4.170 0.000 0.000 0.292 313 I C -1.080 175.042 176.117 0.008 0.000 1.001 313 I CA -0.963 60.340 61.300 0.004 0.000 1.119 313 I CB 2.343 40.331 38.000 -0.021 0.000 1.289 313 I HN -0.315 nan 8.210 nan 0.000 0.438 314 V N 5.761 125.683 119.914 0.014 0.000 2.293 314 V HA 0.473 4.593 4.120 0.000 0.000 0.275 314 V C 0.359 176.464 176.094 0.018 0.000 1.021 314 V CA -0.624 61.689 62.300 0.022 0.000 0.815 314 V CB 1.277 33.123 31.823 0.037 0.000 1.025 314 V HN 0.815 nan 8.190 nan 0.000 0.448 315 A N 4.185 127.011 122.820 0.009 0.000 2.343 315 A HA 0.424 4.744 4.320 0.000 0.000 0.305 315 A C 0.442 178.040 177.584 0.023 0.000 1.308 315 A CA -0.349 51.690 52.037 0.004 0.000 0.949 315 A CB -0.149 18.840 19.000 -0.017 0.000 1.148 315 A HN 0.841 nan 8.150 nan 0.000 0.545 316 E N 2.955 123.178 120.200 0.038 0.000 1.802 316 E HA 0.141 4.492 4.350 0.000 0.000 0.265 316 E C 0.605 177.246 176.600 0.068 0.000 1.168 316 E CA -0.326 56.112 56.400 0.063 0.000 1.033 316 E CB 0.390 30.146 29.700 0.093 0.000 1.095 316 E HN 0.550 nan 8.360 nan 0.000 0.436 317 V N 1.546 121.491 119.914 0.051 0.000 2.453 317 V HA -0.118 4.002 4.120 0.000 0.000 0.247 317 V C 1.183 177.320 176.094 0.070 0.000 1.048 317 V CA 1.231 63.560 62.300 0.048 0.000 1.049 317 V CB -0.293 31.546 31.823 0.026 0.000 0.672 317 V HN 0.548 nan 8.190 nan 0.000 0.457 318 A N 0.912 123.772 122.820 0.067 0.000 2.407 318 A HA 0.236 4.556 4.320 0.000 0.000 0.248 318 A C 0.272 177.914 177.584 0.096 0.000 1.082 318 A CA -0.239 51.838 52.037 0.065 0.000 0.785 318 A CB -0.178 18.850 19.000 0.046 0.000 1.020 318 A HN 0.437 nan 8.150 nan 0.000 0.489 319 N N 0.892 119.640 118.700 0.079 0.000 2.431 319 N HA 0.348 5.088 4.740 0.000 0.000 0.265 319 N C 0.902 176.399 175.510 -0.021 0.000 1.184 319 N CA 1.493 54.576 53.050 0.054 0.000 0.943 319 N CB 0.782 39.235 38.487 -0.057 0.000 1.080 319 N HN 1.249 nan 8.380 nan 0.000 0.477 320 G N 3.722 112.540 108.800 0.030 0.000 2.212 320 G HA2 -0.170 3.790 3.960 0.000 0.000 0.255 320 G HA3 -0.170 3.790 3.960 0.000 0.000 0.255 320 G C -1.269 173.642 174.900 0.018 0.000 1.062 320 G CA -0.214 44.886 45.100 0.001 0.000 0.815 320 G HN 0.498 nan 8.290 nan 0.000 0.497 321 P HA 0.099 nan 4.420 nan 0.000 0.222 321 P C 0.674 177.994 177.300 0.035 0.000 1.153 321 P CA 0.800 63.921 63.100 0.036 0.000 0.798 321 P CB 0.458 32.187 31.700 0.047 0.000 0.796 322 V N 1.174 121.116 119.914 0.048 0.000 2.513 322 V HA 0.299 4.419 4.120 0.000 0.000 0.299 322 V C 0.760 176.870 176.094 0.027 0.000 1.035 322 V CA -0.569 61.755 62.300 0.040 0.000 0.889 322 V CB 1.409 33.266 31.823 0.056 0.000 0.988 322 V HN 0.115 nan 8.190 nan 0.000 0.440 323 T N 2.144 116.703 114.554 0.009 0.000 2.918 323 T HA 0.384 4.735 4.350 0.000 0.000 0.283 323 T C -1.928 172.757 174.700 -0.025 0.000 1.001 323 T CA -1.942 60.155 62.100 -0.005 0.000 1.041 323 T CB 1.775 70.638 68.868 -0.009 0.000 1.028 323 T HN 0.389 nan 8.240 nan 0.000 0.511 324 P HA -0.070 nan 4.420 nan 0.000 0.216 324 P C 1.106 178.367 177.300 -0.066 0.000 1.150 324 P CA 1.042 64.105 63.100 -0.063 0.000 0.837 324 P CB 0.052 31.724 31.700 -0.045 0.000 0.786 325 E N -0.379 119.798 120.200 -0.038 0.000 2.150 325 E HA -0.088 4.262 4.350 0.000 0.000 0.193 325 E C 2.085 178.671 176.600 -0.024 0.000 0.985 325 E CA 1.386 57.770 56.400 -0.027 0.000 0.814 325 E CB -1.184 28.506 29.700 -0.016 0.000 0.752 325 E HN 0.173 nan 8.360 nan 0.000 0.466 326 A N 1.148 123.955 122.820 -0.022 0.000 1.968 326 A HA -0.159 4.161 4.320 0.000 0.000 0.217 326 A C 1.549 179.126 177.584 -0.011 0.000 1.169 326 A CA 1.349 53.382 52.037 -0.007 0.000 0.638 326 A CB -0.337 18.665 19.000 0.003 0.000 0.812 326 A HN 0.068 nan 8.150 nan 0.000 0.446 327 D N 0.808 121.167 120.400 -0.069 0.000 2.116 327 D HA -0.167 4.473 4.640 0.000 0.000 0.193 327 D C 1.265 177.512 176.300 -0.089 0.000 0.998 327 D CA 1.634 55.528 54.000 -0.177 0.000 0.836 327 D CB -0.341 40.145 40.800 -0.523 0.000 0.951 327 D HN 0.422 nan 8.370 nan 0.000 0.449 328 D N 0.282 120.641 120.400 -0.069 0.000 2.097 328 D HA -0.087 4.553 4.640 0.000 0.000 0.195 328 D C 2.406 178.733 176.300 0.045 0.000 0.989 328 D CA 0.446 54.450 54.000 0.007 0.000 0.827 328 D CB -0.359 40.440 40.800 -0.002 0.000 0.966 328 D HN 0.291 nan 8.370 nan 0.000 0.456 329 I N 0.807 121.395 120.570 0.030 0.000 2.179 329 I HA -0.242 3.928 4.170 0.000 0.000 0.242 329 I C 2.529 178.678 176.117 0.053 0.000 1.088 329 I CA 0.789 62.111 61.300 0.036 0.000 1.357 329 I CB -0.263 37.752 38.000 0.024 0.000 1.051 329 I HN -0.045 nan 8.210 nan 0.000 0.409 330 L N 0.110 121.373 121.223 0.066 0.000 2.046 330 L HA -0.217 4.123 4.340 0.000 0.000 0.208 330 L C 2.806 179.738 176.870 0.102 0.000 1.077 330 L CA 1.353 56.242 54.840 0.082 0.000 0.747 330 L CB -0.634 41.485 42.059 0.101 0.000 0.896 330 L HN 0.241 nan 8.230 nan 0.000 0.432 331 R N 0.447 121.035 120.500 0.148 0.000 2.081 331 R HA -0.188 4.152 4.340 0.000 0.000 0.235 331 R C 2.428 178.788 176.300 0.100 0.000 1.131 331 R CA 1.822 58.015 56.100 0.154 0.000 0.960 331 R CB -0.150 30.317 30.300 0.278 0.000 0.856 331 R HN 0.433 nan 8.270 nan 0.000 0.436 332 E N 1.389 121.639 120.200 0.083 0.000 2.204 332 E HA -0.161 4.189 4.350 0.000 0.000 0.194 332 E C 1.641 178.271 176.600 0.051 0.000 0.989 332 E CA 1.445 57.881 56.400 0.060 0.000 0.824 332 E CB -0.364 29.365 29.700 0.048 0.000 0.756 332 E HN 0.489 nan 8.360 nan 0.000 0.477 333 K N -1.242 119.189 120.400 0.052 0.000 2.525 333 K HA 0.223 4.543 4.320 0.000 0.000 0.192 333 K C 1.258 177.886 176.600 0.046 0.000 1.029 333 K CA 0.371 56.684 56.287 0.044 0.000 1.029 333 K CB 0.342 32.867 32.500 0.040 0.000 0.814 333 K HN 0.479 nan 8.250 nan 0.000 0.503 334 G N 1.954 110.787 108.800 0.055 0.000 2.136 334 G HA2 -0.251 3.710 3.960 0.000 0.000 0.242 334 G HA3 -0.251 3.710 3.960 0.000 0.000 0.242 334 G C 0.055 174.989 174.900 0.058 0.000 0.989 334 G CA -0.288 44.847 45.100 0.057 0.000 0.682 334 G HN 0.265 nan 8.290 nan 0.000 0.522 335 I N 0.899 121.502 120.570 0.055 0.000 2.304 335 I HA 0.354 4.525 4.170 0.000 0.000 0.291 335 I C 0.456 176.596 176.117 0.038 0.000 1.018 335 I CA -0.937 60.392 61.300 0.048 0.000 1.260 335 I CB 1.267 39.297 38.000 0.049 0.000 1.390 335 I HN 0.079 nan 8.210 nan 0.000 0.475 336 L N 8.179 129.421 121.223 0.032 0.000 2.315 336 L HA 0.214 4.554 4.340 0.000 0.000 0.283 336 L C -0.148 176.718 176.870 -0.006 0.000 1.089 336 L CA 0.399 55.242 54.840 0.006 0.000 0.833 336 L CB 0.411 42.500 42.059 0.049 0.000 1.170 336 L HN 0.535 nan 8.230 nan 0.000 0.442 337 Q N 5.456 125.228 119.800 -0.047 0.000 2.241 337 Q HA 0.483 4.823 4.340 0.000 0.000 0.254 337 Q C -0.867 175.114 176.000 -0.033 0.000 0.917 337 Q CA -0.391 55.407 55.803 -0.008 0.000 0.919 337 Q CB 2.062 30.836 28.738 0.060 0.000 1.237 337 Q HN 0.608 nan 8.270 nan 0.000 0.434 338 I N 3.907 124.480 120.570 0.006 0.000 2.310 338 I HA 0.253 4.423 4.170 0.000 0.000 0.287 338 I C -2.231 173.874 176.117 -0.021 0.000 1.073 338 I CA -2.347 58.956 61.300 0.005 0.000 1.216 338 I CB 0.512 38.532 38.000 0.034 0.000 1.415 338 I HN 0.248 nan 8.210 nan 0.000 0.480 339 P HA -0.074 nan 4.420 nan 0.000 0.263 339 P C 0.296 177.566 177.300 -0.050 0.000 1.175 339 P CA 0.100 63.168 63.100 -0.053 0.000 0.761 339 P CB 0.477 32.053 31.700 -0.207 0.000 0.794 340 D N 3.893 124.383 120.400 0.150 0.000 2.154 340 D HA -0.282 4.358 4.640 0.000 0.000 0.190 340 D C 1.343 177.778 176.300 0.226 0.000 1.003 340 D CA 1.944 56.098 54.000 0.257 0.000 0.849 340 D CB -1.493 39.576 40.800 0.450 0.000 0.942 340 D HN 0.537 nan 8.370 nan 0.000 0.446 341 F N -0.560 119.397 119.950 0.012 0.000 2.748 341 F HA 0.264 4.791 4.527 0.000 0.000 0.299 341 F C 1.856 177.528 175.800 -0.214 0.000 1.154 341 F CA -0.197 57.597 58.000 -0.343 0.000 1.446 341 F CB -0.401 37.940 39.000 -1.099 0.000 1.112 341 F HN 0.057 nan 8.300 nan 0.000 0.584 342 L N 0.066 120.990 121.223 -0.498 0.000 2.185 342 L HA 0.073 4.413 4.340 0.000 0.000 0.198 342 L C 2.434 179.238 176.870 -0.110 0.000 1.079 342 L CA 1.405 56.054 54.840 -0.319 0.000 0.780 342 L CB -1.204 40.630 42.059 -0.374 0.000 0.955 342 L HN 0.324 nan 8.230 nan 0.000 0.462 343 C N 1.754 121.012 119.300 -0.070 0.000 2.401 343 C HA -0.165 4.295 4.460 0.000 0.000 0.276 343 C C 2.210 177.203 174.990 0.005 0.000 1.233 343 C CA 1.509 60.519 59.018 -0.013 0.000 1.753 343 C CB -1.551 26.190 27.740 0.003 0.000 2.029 343 C HN 0.894 nan 8.230 nan 0.000 0.478 344 N N 0.302 119.019 118.700 0.029 0.000 2.279 344 N HA 0.296 5.036 4.740 0.000 0.000 0.226 344 N C 0.647 176.178 175.510 0.034 0.000 1.126 344 N CA 0.777 53.853 53.050 0.042 0.000 0.846 344 N CB -0.241 38.295 38.487 0.082 0.000 1.050 344 N HN 0.388 nan 8.380 nan 0.000 0.502 345 A N -0.351 122.477 122.820 0.014 0.000 2.238 345 A HA 0.316 4.636 4.320 0.000 0.000 0.208 345 A C 2.045 179.632 177.584 0.005 0.000 1.177 345 A CA 0.445 52.486 52.037 0.006 0.000 0.804 345 A CB -0.893 18.101 19.000 -0.010 0.000 0.823 345 A HN 0.416 nan 8.150 nan 0.000 0.482 346 G N 0.201 109.010 108.800 0.016 0.000 2.450 346 G HA2 -0.038 3.922 3.960 0.000 0.000 0.220 346 G HA3 -0.038 3.922 3.960 0.000 0.000 0.220 346 G C 1.447 176.339 174.900 -0.012 0.000 1.130 346 G CA 1.162 46.274 45.100 0.021 0.000 0.760 346 G HN 0.595 nan 8.290 nan 0.000 0.557 347 G N 0.139 108.931 108.800 -0.013 0.000 2.433 347 G HA2 -0.179 3.781 3.960 0.000 0.000 0.216 347 G HA3 -0.179 3.781 3.960 0.000 0.000 0.216 347 G C 1.752 176.631 174.900 -0.035 0.000 1.186 347 G CA 1.134 46.220 45.100 -0.024 0.000 0.779 347 G HN 0.371 nan 8.290 nan 0.000 0.543 348 V N 0.902 120.800 119.914 -0.026 0.000 2.667 348 V HA -0.093 4.028 4.120 0.000 0.000 0.252 348 V C 2.990 179.071 176.094 -0.022 0.000 1.065 348 V CA 2.615 64.903 62.300 -0.021 0.000 1.083 348 V CB -0.571 31.242 31.823 -0.017 0.000 0.692 348 V HN 0.427 nan 8.190 nan 0.000 0.468 349 T N -0.173 114.329 114.554 -0.087 0.000 2.737 349 T HA -0.148 4.202 4.350 0.000 0.000 0.265 349 T C 1.851 176.210 174.700 -0.569 0.000 1.038 349 T CA 1.774 63.725 62.100 -0.248 0.000 1.144 349 T CB -0.264 68.482 68.868 -0.204 0.000 0.866 349 T HN 0.373 nan 8.240 nan 0.000 0.434 350 V N 2.345 122.055 119.914 -0.340 0.000 2.626 350 V HA -0.147 3.973 4.120 0.000 0.000 0.252 350 V C 2.820 178.847 176.094 -0.111 0.000 1.067 350 V CA 1.805 63.972 62.300 -0.222 0.000 1.081 350 V CB -0.914 30.907 31.823 -0.004 0.000 0.686 350 V HN 0.671 nan 8.190 nan 0.000 0.468 351 S N -0.312 115.352 115.700 -0.061 0.000 2.423 351 S HA -0.252 4.219 4.470 0.000 0.000 0.231 351 S C 2.019 176.699 174.600 0.133 0.000 1.014 351 S CA 1.456 59.664 58.200 0.015 0.000 0.965 351 S CB -0.638 62.557 63.200 -0.008 0.000 0.785 351 S HN 0.650 nan 8.310 nan 0.000 0.495 352 Y N 1.981 122.301 120.300 0.035 0.000 2.163 352 Y HA 0.007 4.557 4.550 0.000 0.000 0.288 352 Y C 1.718 177.773 175.900 0.259 0.000 1.136 352 Y CA 1.126 59.342 58.100 0.193 0.000 1.147 352 Y CB -0.828 37.641 38.460 0.015 0.000 0.987 352 Y HN 0.234 nan 8.280 nan 0.000 0.509 353 F N 1.150 120.974 119.950 -0.209 0.000 2.161 353 F HA -0.180 4.347 4.527 0.000 0.000 0.300 353 F C 2.606 178.058 175.800 -0.579 0.000 1.089 353 F CA 1.504 59.197 58.000 -0.513 0.000 1.282 353 F CB -1.373 37.403 39.000 -0.373 0.000 1.010 353 F HN 0.263 nan 8.300 nan 0.000 0.485 354 E N -0.795 119.345 120.200 -0.101 0.000 2.051 354 E HA -0.282 4.069 4.350 0.000 0.000 0.192 354 E C 2.257 178.818 176.600 -0.065 0.000 0.991 354 E CA 1.521 57.862 56.400 -0.098 0.000 0.799 354 E CB -0.526 29.172 29.700 -0.003 0.000 0.748 354 E HN 0.442 nan 8.360 nan 0.000 0.449 355 W N 0.627 121.834 121.300 -0.155 0.000 2.363 355 W HA -0.190 4.470 4.660 0.000 0.000 0.296 355 W C 1.873 178.271 176.519 -0.202 0.000 1.212 355 W CA 1.485 58.755 57.345 -0.125 0.000 1.260 355 W CB -0.335 29.130 29.460 0.007 0.000 1.131 355 W HN -0.071 nan 8.180 nan 0.000 0.530 356 V N 1.108 120.837 119.914 -0.309 0.000 2.295 356 V HA -0.358 3.762 4.120 0.000 0.000 0.246 356 V C 2.321 178.161 176.094 -0.424 0.000 1.049 356 V CA 2.468 64.502 62.300 -0.445 0.000 1.024 356 V CB -1.159 30.503 31.823 -0.268 0.000 0.648 356 V HN 0.267 nan 8.190 nan 0.000 0.447 357 Q N 0.189 119.675 119.800 -0.522 0.000 2.135 357 Q HA -0.237 4.103 4.340 0.000 0.000 0.204 357 Q C 2.048 177.668 176.000 -0.633 0.000 0.981 357 Q CA 2.061 57.461 55.803 -0.672 0.000 0.856 357 Q CB -0.376 27.826 28.738 -0.894 0.000 0.902 357 Q HN 0.768 nan 8.270 nan 0.000 0.425 358 N N 0.890 119.359 118.700 -0.385 0.000 2.080 358 N HA -0.107 4.633 4.740 0.000 0.000 0.189 358 N C 2.031 177.386 175.510 -0.258 0.000 1.036 358 N CA 1.352 54.296 53.050 -0.177 0.000 0.846 358 N CB -0.252 38.218 38.487 -0.028 0.000 1.015 358 N HN 0.338 nan 8.380 nan 0.000 0.423 359 I N -1.675 118.617 120.570 -0.463 0.000 2.676 359 I HA -0.050 4.121 4.170 0.000 0.000 0.259 359 I C 0.625 176.616 176.117 -0.209 0.000 1.194 359 I CA 1.441 62.512 61.300 -0.382 0.000 1.473 359 I CB -0.263 37.348 38.000 -0.648 0.000 1.096 359 I HN 0.069 nan 8.210 nan 0.000 0.443 360 N N 1.165 119.730 118.700 -0.224 0.000 2.280 360 N HA 0.199 4.939 4.740 0.000 0.000 0.192 360 N C 1.084 176.562 175.510 -0.054 0.000 1.109 360 N CA 0.509 53.495 53.050 -0.107 0.000 0.855 360 N CB 0.563 39.006 38.487 -0.072 0.000 0.974 360 N HN 0.567 nan 8.380 nan 0.000 0.482 361 G N 1.037 109.769 108.800 -0.114 0.000 2.249 361 G HA2 -0.324 3.637 3.960 0.000 0.000 0.273 361 G HA3 -0.324 3.637 3.960 0.000 0.000 0.273 361 G C -0.623 174.303 174.900 0.043 0.000 1.036 361 G CA 0.386 45.470 45.100 -0.027 0.000 0.824 361 G HN 0.490 nan 8.290 nan 0.000 0.504 362 Y N -1.026 119.066 120.300 -0.347 0.000 2.390 362 Y HA 0.562 5.112 4.550 0.000 0.000 0.324 362 Y C -0.817 174.857 175.900 -0.377 0.000 1.151 362 Y CA -1.409 56.593 58.100 -0.164 0.000 1.053 362 Y CB 1.142 39.582 38.460 -0.032 0.000 1.277 362 Y HN 0.154 nan 8.280 nan 0.000 0.432 363 Y N 3.460 123.633 120.300 -0.212 0.000 2.509 363 Y HA 0.525 5.075 4.550 0.000 0.000 0.341 363 Y C -0.807 175.171 175.900 0.131 0.000 1.038 363 Y CA -0.895 57.155 58.100 -0.084 0.000 1.089 363 Y CB 1.212 39.598 38.460 -0.123 0.000 1.241 363 Y HN 0.503 nan 8.280 nan 0.000 0.468 364 W N 0.557 121.905 121.300 0.080 0.000 2.485 364 W HA 0.534 5.194 4.660 0.000 0.000 0.364 364 W C 0.112 176.656 176.519 0.043 0.000 1.171 364 W CA -1.576 55.795 57.345 0.045 0.000 1.304 364 W CB 0.620 30.081 29.460 0.002 0.000 1.335 364 W HN 0.475 nan 8.180 nan 0.000 0.643 365 T N -2.266 112.461 114.554 0.289 0.000 2.847 365 T HA 0.155 4.505 4.350 0.000 0.000 0.279 365 T C 0.913 175.713 174.700 0.166 0.000 0.984 365 T CA -0.282 61.918 62.100 0.166 0.000 0.988 365 T CB 1.492 70.423 68.868 0.105 0.000 1.040 365 T HN 0.416 nan 8.240 nan 0.000 0.528 366 E N 0.520 120.787 120.200 0.111 0.000 2.130 366 E HA -0.200 4.150 4.350 0.000 0.000 0.196 366 E C 1.726 178.389 176.600 0.106 0.000 0.998 366 E CA 1.805 58.264 56.400 0.099 0.000 0.806 366 E CB -0.290 29.448 29.700 0.063 0.000 0.738 366 E HN 0.793 nan 8.360 nan 0.000 0.459 367 E N 0.172 120.424 120.200 0.087 0.000 2.112 367 E HA -0.084 4.266 4.350 0.000 0.000 0.190 367 E C 1.975 178.612 176.600 0.061 0.000 0.979 367 E CA 1.177 57.618 56.400 0.068 0.000 0.814 367 E CB -0.129 29.596 29.700 0.041 0.000 0.762 367 E HN 0.377 nan 8.360 nan 0.000 0.460 368 E N 0.161 120.401 120.200 0.066 0.000 2.051 368 E HA -0.148 4.202 4.350 0.000 0.000 0.192 368 E C 2.038 178.688 176.600 0.083 0.000 0.991 368 E CA 1.252 57.656 56.400 0.007 0.000 0.799 368 E CB -0.038 29.657 29.700 -0.008 0.000 0.748 368 E HN 0.024 nan 8.360 nan 0.000 0.449 369 V N 1.064 121.137 119.914 0.266 0.000 2.343 369 V HA -0.285 3.835 4.120 0.000 0.000 0.247 369 V C 2.417 178.681 176.094 0.282 0.000 1.051 369 V CA 2.117 64.619 62.300 0.336 0.000 1.036 369 V CB -0.474 31.548 31.823 0.331 0.000 0.654 369 V HN 0.215 nan 8.190 nan 0.000 0.451 370 R N 0.416 121.046 120.500 0.216 0.000 2.081 370 R HA -0.175 4.165 4.340 0.000 0.000 0.235 370 R C 2.342 178.755 176.300 0.189 0.000 1.131 370 R CA 2.093 58.340 56.100 0.244 0.000 0.960 370 R CB -0.399 30.020 30.300 0.199 0.000 0.856 370 R HN 0.591 nan 8.270 nan 0.000 0.436 371 E N 1.280 121.528 120.200 0.080 0.000 2.072 371 E HA -0.200 4.150 4.350 0.000 0.000 0.191 371 E C 1.891 178.473 176.600 -0.032 0.000 0.985 371 E CA 1.671 58.063 56.400 -0.012 0.000 0.801 371 E CB -0.376 29.296 29.700 -0.047 0.000 0.750 371 E HN 0.529 nan 8.360 nan 0.000 0.452 372 K N -0.830 119.554 120.400 -0.026 0.000 2.097 372 K HA 0.066 4.386 4.320 0.000 0.000 0.205 372 K C 2.179 178.952 176.600 0.289 0.000 1.050 372 K CA 0.992 57.261 56.287 -0.031 0.000 0.938 372 K CB -0.135 32.103 32.500 -0.436 0.000 0.718 372 K HN 0.304 nan 8.250 nan 0.000 0.442 373 L N 1.503 122.993 121.223 0.445 0.000 2.017 373 L HA -0.198 4.142 4.340 0.000 0.000 0.208 373 L C 1.918 178.891 176.870 0.172 0.000 1.073 373 L CA 1.907 57.044 54.840 0.494 0.000 0.745 373 L CB -0.505 41.879 42.059 0.542 0.000 0.894 373 L HN 0.197 nan 8.230 nan 0.000 0.432 374 D N -0.348 119.947 120.400 -0.176 0.000 2.104 374 D HA -0.231 4.410 4.640 0.000 0.000 0.194 374 D C 2.026 178.108 176.300 -0.364 0.000 0.994 374 D CA 1.466 54.929 54.000 -0.894 0.000 0.830 374 D CB 0.109 40.374 40.800 -0.891 0.000 0.959 374 D HN 0.406 nan 8.370 nan 0.000 0.452 375 K N 0.286 120.607 120.400 -0.132 0.000 2.025 375 K HA -0.095 4.225 4.320 0.000 0.000 0.207 375 K C 2.374 179.006 176.600 0.053 0.000 1.049 375 K CA 0.730 57.000 56.287 -0.028 0.000 0.933 375 K CB -0.004 32.494 32.500 -0.003 0.000 0.714 375 K HN 0.107 nan 8.250 nan 0.000 0.438 376 K N 0.246 120.719 120.400 0.121 0.000 2.032 376 K HA -0.089 4.231 4.320 0.000 0.000 0.209 376 K C 2.187 178.854 176.600 0.111 0.000 1.048 376 K CA 1.279 57.653 56.287 0.145 0.000 0.927 376 K CB -0.055 32.579 32.500 0.224 0.000 0.712 376 K HN 0.102 nan 8.250 nan 0.000 0.441 377 M N 0.279 119.946 119.600 0.113 0.000 2.132 377 M HA -0.098 4.382 4.480 0.000 0.000 0.263 377 M C 2.200 178.562 176.300 0.104 0.000 1.065 377 M CA 1.625 56.998 55.300 0.122 0.000 1.122 377 M CB -1.322 31.415 32.600 0.228 0.000 1.365 377 M HN 0.084 nan 8.290 nan 0.000 0.411 378 T N 0.548 115.143 114.554 0.069 0.000 2.708 378 T HA -0.166 4.184 4.350 0.000 0.000 0.266 378 T C 1.932 176.798 174.700 0.276 0.000 1.037 378 T CA 1.570 63.757 62.100 0.146 0.000 1.146 378 T CB -0.118 68.825 68.868 0.125 0.000 0.865 378 T HN 0.375 nan 8.240 nan 0.000 0.435 379 K N 1.054 121.582 120.400 0.213 0.000 2.026 379 K HA -0.037 4.283 4.320 0.000 0.000 0.208 379 K C 2.522 179.220 176.600 0.162 0.000 1.048 379 K CA 1.298 57.716 56.287 0.219 0.000 0.929 379 K CB -0.346 32.236 32.500 0.137 0.000 0.713 379 K HN 0.269 nan 8.250 nan 0.000 0.439 380 A N 0.642 123.522 122.820 0.100 0.000 1.972 380 A HA -0.163 4.157 4.320 0.000 0.000 0.219 380 A C 1.974 179.547 177.584 -0.020 0.000 1.169 380 A CA 1.290 53.348 52.037 0.036 0.000 0.635 380 A CB -0.750 18.261 19.000 0.020 0.000 0.810 380 A HN 0.546 nan 8.150 nan 0.000 0.446 381 F N -1.072 118.787 119.950 -0.151 0.000 2.113 381 F HA -0.141 4.386 4.527 0.000 0.000 0.297 381 F C 1.950 177.542 175.800 -0.347 0.000 1.103 381 F CA 1.717 59.525 58.000 -0.322 0.000 1.248 381 F CB -0.342 38.353 39.000 -0.509 0.000 0.999 381 F HN 0.376 nan 8.300 nan 0.000 0.475 382 W N 1.076 122.427 121.300 0.084 0.000 2.402 382 W HA -0.079 4.582 4.660 0.000 0.000 0.286 382 W C 2.380 178.895 176.519 -0.008 0.000 1.221 382 W CA 1.250 58.629 57.345 0.057 0.000 1.257 382 W CB -0.483 29.055 29.460 0.129 0.000 1.120 382 W HN 0.044 nan 8.180 nan 0.000 0.551 383 E N 0.006 120.281 120.200 0.125 0.000 2.058 383 E HA -0.236 4.114 4.350 0.000 0.000 0.194 383 E C 2.048 178.623 176.600 -0.041 0.000 0.997 383 E CA 1.930 58.360 56.400 0.050 0.000 0.801 383 E CB -0.519 29.200 29.700 0.031 0.000 0.746 383 E HN 0.084 nan 8.360 nan 0.000 0.450 384 V N 0.281 120.098 119.914 -0.162 0.000 2.453 384 V HA -0.226 3.894 4.120 0.000 0.000 0.247 384 V C 1.962 177.909 176.094 -0.244 0.000 1.048 384 V CA 1.605 63.771 62.300 -0.224 0.000 1.049 384 V CB -0.478 31.151 31.823 -0.323 0.000 0.672 384 V HN 0.309 nan 8.190 nan 0.000 0.457 385 Y N 1.686 121.667 120.300 -0.533 0.000 2.200 385 Y HA -0.206 4.344 4.550 0.000 0.000 0.290 385 Y C 2.281 178.196 175.900 0.025 0.000 1.137 385 Y CA 2.140 59.993 58.100 -0.411 0.000 1.163 385 Y CB -0.455 37.519 38.460 -0.811 0.000 0.988 385 Y HN 0.358 nan 8.280 nan 0.000 0.518 386 N N -1.222 117.510 118.700 0.053 0.000 2.142 386 N HA -0.163 4.577 4.740 0.000 0.000 0.186 386 N C 1.582 177.059 175.510 -0.055 0.000 1.023 386 N CA 1.707 54.777 53.050 0.034 0.000 0.852 386 N CB -0.231 38.345 38.487 0.149 0.000 0.998 386 N HN 0.263 nan 8.380 nan 0.000 0.424 387 T N 0.309 114.841 114.554 -0.037 0.000 2.759 387 T HA -0.218 4.132 4.350 0.000 0.000 0.269 387 T C 1.751 176.413 174.700 -0.063 0.000 1.042 387 T CA 1.353 63.430 62.100 -0.038 0.000 1.140 387 T CB -0.474 68.382 68.868 -0.020 0.000 0.864 387 T HN 0.510 nan 8.240 nan 0.000 0.455 388 H N 1.087 120.031 119.070 -0.210 0.000 2.470 388 H HA 0.127 4.683 4.556 0.000 0.000 0.289 388 H C 2.226 177.414 175.328 -0.234 0.000 1.033 388 H CA 1.718 57.632 56.048 -0.224 0.000 1.331 388 H CB -0.180 29.410 29.762 -0.286 0.000 1.414 388 H HN 0.431 nan 8.280 nan 0.000 0.545 389 K N 1.301 121.257 120.400 -0.741 0.000 2.098 389 K HA -0.033 4.288 4.320 0.000 0.000 0.203 389 K C 1.827 178.239 176.600 -0.313 0.000 1.051 389 K CA 1.186 57.075 56.287 -0.662 0.000 0.957 389 K CB -0.359 31.820 32.500 -0.535 0.000 0.738 389 K HN 0.340 nan 8.250 nan 0.000 0.447 390 D N 0.319 120.599 120.400 -0.200 0.000 2.224 390 D HA -0.020 4.621 4.640 0.000 0.000 0.205 390 D C 1.258 177.508 176.300 -0.083 0.000 0.965 390 D CA 0.948 54.885 54.000 -0.106 0.000 0.852 390 D CB 0.299 41.063 40.800 -0.059 0.000 0.947 390 D HN 0.517 nan 8.370 nan 0.000 0.494 391 K N 0.377 120.724 120.400 -0.089 0.000 2.358 391 K HA 0.074 4.394 4.320 0.000 0.000 0.197 391 K C 0.041 176.614 176.600 -0.045 0.000 1.025 391 K CA -0.233 56.031 56.287 -0.038 0.000 1.104 391 K CB 0.339 32.843 32.500 0.008 0.000 0.855 391 K HN 0.021 nan 8.250 nan 0.000 0.531 392 N N 2.138 120.764 118.700 -0.125 0.000 2.669 392 N HA -0.186 4.554 4.740 0.000 0.000 0.266 392 N C -0.880 174.604 175.510 -0.044 0.000 1.024 392 N CA 0.327 53.299 53.050 -0.129 0.000 0.766 392 N CB -0.976 37.467 38.487 -0.073 0.000 0.898 392 N HN 0.360 nan 8.380 nan 0.000 0.548 393 I N -2.330 118.212 120.570 -0.046 0.000 2.934 393 I HA 0.395 4.565 4.170 0.000 0.000 0.306 393 I C 0.513 176.676 176.117 0.076 0.000 1.110 393 I CA -1.167 60.147 61.300 0.024 0.000 1.019 393 I CB 1.646 39.645 38.000 -0.002 0.000 1.227 393 I HN 0.016 nan 8.210 nan 0.000 0.434 394 H N 4.674 123.730 119.070 -0.024 0.000 3.038 394 H HA 0.051 4.608 4.556 0.000 0.000 0.338 394 H C 0.839 176.139 175.328 -0.046 0.000 1.041 394 H CA 0.560 56.606 56.048 -0.003 0.000 1.394 394 H CB 1.119 30.845 29.762 -0.061 0.000 1.357 394 H HN 0.720 nan 8.280 nan 0.000 0.600 395 M N 4.257 123.495 119.600 -0.604 0.000 2.143 395 M HA -0.255 4.226 4.480 0.000 0.000 0.258 395 M C 2.292 178.503 176.300 -0.148 0.000 1.071 395 M CA 1.556 56.574 55.300 -0.471 0.000 1.088 395 M CB -0.781 31.457 32.600 -0.603 0.000 1.360 395 M HN 0.669 nan 8.290 nan 0.000 0.404 396 R N 0.217 120.818 120.500 0.168 0.000 2.075 396 R HA -0.145 4.195 4.340 0.000 0.000 0.232 396 R C 1.590 178.029 176.300 0.232 0.000 1.126 396 R CA 1.530 57.776 56.100 0.243 0.000 0.963 396 R CB -0.005 30.518 30.300 0.371 0.000 0.858 396 R HN 0.327 nan 8.270 nan 0.000 0.435 397 D N 0.196 120.646 120.400 0.085 0.000 2.178 397 D HA -0.092 4.548 4.640 0.000 0.000 0.202 397 D C 1.700 177.992 176.300 -0.013 0.000 0.974 397 D CA 1.236 55.178 54.000 -0.096 0.000 0.841 397 D CB -0.109 40.278 40.800 -0.687 0.000 0.953 397 D HN 0.351 nan 8.370 nan 0.000 0.478 398 A N 1.316 124.119 122.820 -0.029 0.000 1.940 398 A HA -0.114 4.206 4.320 0.000 0.000 0.219 398 A C 2.336 179.906 177.584 -0.023 0.000 1.176 398 A CA 2.183 54.208 52.037 -0.020 0.000 0.631 398 A CB -0.578 18.399 19.000 -0.038 0.000 0.814 398 A HN 0.246 nan 8.150 nan 0.000 0.446 399 A N -1.734 121.052 122.820 -0.056 0.000 1.930 399 A HA -0.027 4.293 4.320 0.000 0.000 0.217 399 A C 2.083 179.712 177.584 0.075 0.000 1.175 399 A CA 1.462 53.406 52.037 -0.156 0.000 0.627 399 A CB -0.711 17.956 19.000 -0.555 0.000 0.815 399 A HN 0.568 nan 8.150 nan 0.000 0.443 400 Y N -0.313 120.090 120.300 0.172 0.000 2.200 400 Y HA -0.150 4.400 4.550 0.000 0.000 0.290 400 Y C 2.627 178.493 175.900 -0.057 0.000 1.137 400 Y CA 1.457 59.577 58.100 0.033 0.000 1.163 400 Y CB -0.467 37.949 38.460 -0.072 0.000 0.988 400 Y HN 0.089 nan 8.280 nan 0.000 0.518 401 V N -0.775 119.224 119.914 0.143 0.000 2.231 401 V HA -0.349 3.771 4.120 0.000 0.000 0.248 401 V C 2.269 178.400 176.094 0.061 0.000 1.054 401 V CA 1.974 64.326 62.300 0.087 0.000 1.015 401 V CB -1.101 30.772 31.823 0.083 0.000 0.638 401 V HN 0.240 nan 8.190 nan 0.000 0.444 402 V N 0.236 120.176 119.914 0.044 0.000 2.278 402 V HA -0.355 3.765 4.120 0.000 0.000 0.251 402 V C 2.602 178.730 176.094 0.056 0.000 1.062 402 V CA 2.539 64.859 62.300 0.034 0.000 1.038 402 V CB -1.299 30.524 31.823 0.001 0.000 0.646 402 V HN 0.602 nan 8.190 nan 0.000 0.447 403 A N -0.664 122.201 122.820 0.075 0.000 1.855 403 A HA -0.072 4.248 4.320 0.000 0.000 0.213 403 A C 2.337 179.999 177.584 0.131 0.000 1.195 403 A CA 1.619 53.729 52.037 0.122 0.000 0.610 403 A CB -0.628 18.483 19.000 0.186 0.000 0.837 403 A HN 0.307 nan 8.150 nan 0.000 0.444 404 V N 0.524 120.447 119.914 0.016 0.000 2.407 404 V HA -0.229 3.891 4.120 0.000 0.000 0.248 404 V C 2.760 178.929 176.094 0.124 0.000 1.055 404 V CA 2.261 64.546 62.300 -0.025 0.000 1.049 404 V CB -0.929 30.749 31.823 -0.243 0.000 0.662 404 V HN 0.555 nan 8.190 nan 0.000 0.455 405 S N -0.112 115.660 115.700 0.120 0.000 2.374 405 S HA -0.273 4.197 4.470 0.000 0.000 0.227 405 S C 2.075 176.744 174.600 0.114 0.000 1.037 405 S CA 1.823 60.115 58.200 0.153 0.000 1.024 405 S CB -0.373 62.882 63.200 0.093 0.000 0.861 405 S HN 0.573 nan 8.310 nan 0.000 0.456 406 R N 0.430 120.986 120.500 0.093 0.000 2.073 406 R HA -0.052 4.288 4.340 0.000 0.000 0.234 406 R C 2.302 178.651 176.300 0.081 0.000 1.134 406 R CA 1.431 57.571 56.100 0.066 0.000 0.952 406 R CB -0.729 29.611 30.300 0.066 0.000 0.850 406 R HN 0.284 nan 8.270 nan 0.000 0.433 407 V N 0.296 120.307 119.914 0.162 0.000 2.295 407 V HA -0.274 3.846 4.120 0.000 0.000 0.246 407 V C 2.071 178.253 176.094 0.147 0.000 1.049 407 V CA 1.681 64.089 62.300 0.179 0.000 1.024 407 V CB -0.757 31.280 31.823 0.357 0.000 0.648 407 V HN 0.286 nan 8.190 nan 0.000 0.447 408 Y N 1.426 121.741 120.300 0.026 0.000 2.128 408 Y HA -0.290 4.260 4.550 0.000 0.000 0.284 408 Y C 2.641 178.495 175.900 -0.076 0.000 1.154 408 Y CA 2.182 60.266 58.100 -0.026 0.000 1.149 408 Y CB -0.751 37.707 38.460 -0.003 0.000 0.976 408 Y HN 0.298 nan 8.280 nan 0.000 0.505 409 Q N 0.302 120.034 119.800 -0.112 0.000 2.084 409 Q HA -0.104 4.236 4.340 0.000 0.000 0.202 409 Q C 2.371 178.254 176.000 -0.196 0.000 0.978 409 Q CA 2.134 57.802 55.803 -0.225 0.000 0.844 409 Q CB -0.743 27.907 28.738 -0.147 0.000 0.898 409 Q HN 0.490 nan 8.270 nan 0.000 0.426 410 A N -0.378 122.348 122.820 -0.157 0.000 1.969 410 A HA -0.134 4.186 4.320 0.000 0.000 0.218 410 A C 2.067 179.419 177.584 -0.387 0.000 1.169 410 A CA 1.507 53.408 52.037 -0.226 0.000 0.635 410 A CB -0.474 18.416 19.000 -0.184 0.000 0.810 410 A HN 0.482 nan 8.150 nan 0.000 0.445 411 M N -0.584 118.797 119.600 -0.365 0.000 2.099 411 M HA -0.154 4.326 4.480 0.000 0.000 0.262 411 M C 2.134 178.225 176.300 -0.349 0.000 1.067 411 M CA 1.744 56.753 55.300 -0.486 0.000 1.124 411 M CB -0.357 32.077 32.600 -0.276 0.000 1.353 411 M HN 0.292 nan 8.290 nan 0.000 0.410 412 K N 0.287 120.548 120.400 -0.231 0.000 2.044 412 K HA -0.192 4.128 4.320 0.000 0.000 0.210 412 K C 1.506 177.990 176.600 -0.192 0.000 1.049 412 K CA 1.545 57.716 56.287 -0.194 0.000 0.927 412 K CB -0.364 31.983 32.500 -0.256 0.000 0.713 412 K HN 0.319 nan 8.250 nan 0.000 0.443 413 D N 0.149 120.416 120.400 -0.221 0.000 2.264 413 D HA -0.091 4.549 4.640 0.000 0.000 0.208 413 D C 1.737 177.919 176.300 -0.196 0.000 0.966 413 D CA 0.933 54.823 54.000 -0.183 0.000 0.864 413 D CB 0.043 40.743 40.800 -0.166 0.000 0.933 413 D HN 0.171 nan 8.370 nan 0.000 0.499 414 R N -0.584 119.726 120.500 -0.316 0.000 2.240 414 R HA 0.145 4.485 4.340 0.000 0.000 0.203 414 R C 1.323 177.536 176.300 -0.145 0.000 1.011 414 R CA 0.668 56.575 56.100 -0.321 0.000 1.007 414 R CB 0.392 30.240 30.300 -0.754 0.000 0.911 414 R HN 0.130 nan 8.270 nan 0.000 0.468 415 G N -0.613 108.115 108.800 -0.120 0.000 2.132 415 G HA2 -0.191 3.769 3.960 0.000 0.000 0.234 415 G HA3 -0.191 3.769 3.960 0.000 0.000 0.234 415 G C 0.274 175.256 174.900 0.136 0.000 0.989 415 G CA 0.010 45.118 45.100 0.014 0.000 0.676 415 G HN 0.225 nan 8.290 nan 0.000 0.522 416 W N 0.033 121.213 121.300 -0.200 0.000 2.408 416 W HA 0.304 4.965 4.660 0.000 0.000 0.311 416 W C 1.734 178.057 176.519 -0.326 0.000 1.190 416 W CA 1.387 58.508 57.345 -0.373 0.000 1.321 416 W CB -0.961 27.957 29.460 -0.903 0.000 1.143 416 W HN 0.703 nan 8.180 nan 0.000 0.501 417 V N -0.453 119.423 119.914 -0.064 0.000 2.547 417 V HA 0.465 4.585 4.120 0.000 0.000 0.299 417 V C 0.727 176.846 176.094 0.042 0.000 1.040 417 V CA -1.161 61.152 62.300 0.021 0.000 0.913 417 V CB 1.928 33.771 31.823 0.034 0.000 0.992 417 V HN -0.185 nan 8.190 nan 0.000 0.449 418 K N 2.317 122.758 120.400 0.068 0.000 2.314 418 K HA 0.172 4.493 4.320 0.000 0.000 0.198 418 K C 0.466 177.090 176.600 0.040 0.000 1.045 418 K CA 0.975 57.291 56.287 0.048 0.000 0.988 418 K CB -0.142 32.391 32.500 0.056 0.000 0.783 418 K HN 0.967 nan 8.250 nan 0.000 0.484 419 K N 0.000 120.444 120.400 0.073 0.000 2.780 419 K HA 0.000 4.320 4.320 0.000 0.000 0.191 419 K CA 0.000 56.338 56.287 0.085 0.000 0.838 419 K CB 0.000 32.543 32.500 0.071 0.000 1.064 419 K HN 0.000 nan 8.250 nan 0.000 0.543