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_D 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 0.000 176.176 176.117 0.099 0.000 1.063 4 I CA 0.000 61.356 61.300 0.094 0.000 1.566 4 I CB 0.000 38.030 38.000 0.050 0.000 1.214 5 D N 0.135 120.573 120.400 0.064 0.000 2.084 5 D HA -0.024 4.616 4.640 -0.000 0.000 0.194 5 D C -0.627 175.707 176.300 0.056 0.000 0.990 5 D CA 2.729 56.758 54.000 0.048 0.000 0.826 5 D CB -0.499 40.329 40.800 0.047 0.000 0.971 5 D HN 0.517 nan 8.370 nan 0.000 0.453 6 P HA -0.127 nan 4.420 nan 0.000 0.215 6 P C 1.298 178.620 177.300 0.036 0.000 1.157 6 P CA 0.888 64.058 63.100 0.118 0.000 0.874 6 P CB -0.199 31.584 31.700 0.139 0.000 0.790 7 F N 0.987 120.876 119.950 -0.102 0.000 2.134 7 F HA -0.159 4.368 4.527 -0.000 0.000 0.299 7 F C 1.999 177.713 175.800 -0.145 0.000 1.097 7 F CA 1.557 59.453 58.000 -0.173 0.000 1.264 7 F CB -0.793 38.128 39.000 -0.132 0.000 1.001 7 F HN -0.175 nan 8.300 nan 0.000 0.479 8 E N -0.029 120.029 120.200 -0.236 0.000 2.110 8 E HA -0.209 4.141 4.350 -0.000 0.000 0.193 8 E C 2.350 178.819 176.600 -0.218 0.000 0.988 8 E CA 1.532 57.779 56.400 -0.256 0.000 0.804 8 E CB -0.424 29.223 29.700 -0.088 0.000 0.745 8 E HN 0.430 nan 8.360 nan 0.000 0.458 9 M N -0.550 118.981 119.600 -0.116 0.000 2.086 9 M HA -0.152 4.328 4.480 -0.000 0.000 0.261 9 M C 2.297 178.555 176.300 -0.071 0.000 1.067 9 M CA 1.629 56.917 55.300 -0.019 0.000 1.116 9 M CB -0.374 32.309 32.600 0.139 0.000 1.348 9 M HN 0.144 nan 8.290 nan 0.000 0.407 10 A N 0.034 122.654 122.820 -0.334 0.000 1.902 10 A HA -0.103 4.217 4.320 -0.000 0.000 0.217 10 A C 2.255 179.612 177.584 -0.378 0.000 1.181 10 A CA 1.630 53.311 52.037 -0.593 0.000 0.623 10 A CB -1.037 17.243 19.000 -1.201 0.000 0.818 10 A HN 0.299 nan 8.150 nan 0.000 0.443 11 V N 0.049 119.659 119.914 -0.507 0.000 2.332 11 V HA -0.264 3.856 4.120 -0.000 0.000 0.248 11 V C 2.528 178.497 176.094 -0.208 0.000 1.055 11 V CA 2.446 64.522 62.300 -0.374 0.000 1.038 11 V CB -0.619 30.909 31.823 -0.492 0.000 0.651 11 V HN 0.426 nan 8.190 nan 0.000 0.450 12 K N 0.406 120.697 120.400 -0.182 0.000 2.155 12 K HA -0.055 4.265 4.320 -0.000 0.000 0.203 12 K C 2.469 179.002 176.600 -0.112 0.000 1.052 12 K CA 1.495 57.710 56.287 -0.120 0.000 0.948 12 K CB -0.991 31.457 32.500 -0.087 0.000 0.728 12 K HN 0.611 nan 8.250 nan 0.000 0.448 13 Q N 0.756 120.504 119.800 -0.087 0.000 2.124 13 Q HA -0.020 4.320 4.340 -0.000 0.000 0.202 13 Q C 2.122 177.921 176.000 -0.335 0.000 0.977 13 Q CA 1.818 57.535 55.803 -0.143 0.000 0.850 13 Q CB -0.855 27.942 28.738 0.098 0.000 0.901 13 Q HN 0.313 nan 8.270 nan 0.000 0.429 14 L N 0.490 121.585 121.223 -0.214 0.000 2.072 14 L HA -0.039 4.301 4.340 -0.000 0.000 0.205 14 L C 2.228 178.972 176.870 -0.211 0.000 1.079 14 L CA 2.469 57.162 54.840 -0.245 0.000 0.752 14 L CB -0.394 41.629 42.059 -0.060 0.000 0.906 14 L HN 0.555 nan 8.230 nan 0.000 0.436 15 E N -0.578 119.529 120.200 -0.155 0.000 2.160 15 E HA -0.266 4.084 4.350 -0.000 0.000 0.195 15 E C 2.270 178.780 176.600 -0.150 0.000 0.991 15 E CA 1.147 57.466 56.400 -0.135 0.000 0.810 15 E CB -0.207 29.427 29.700 -0.110 0.000 0.742 15 E HN 0.432 nan 8.360 nan 0.000 0.466 16 R N 0.648 121.054 120.500 -0.156 0.000 2.066 16 R HA -0.115 4.225 4.340 -0.000 0.000 0.232 16 R C 2.313 178.567 176.300 -0.077 0.000 1.131 16 R CA 1.168 57.199 56.100 -0.115 0.000 0.955 16 R CB -0.221 30.035 30.300 -0.074 0.000 0.851 16 R HN 0.145 nan 8.270 nan 0.000 0.432 17 A N 1.187 123.906 122.820 -0.167 0.000 1.884 17 A HA -0.231 4.089 4.320 -0.000 0.000 0.219 17 A C 2.396 179.953 177.584 -0.045 0.000 1.197 17 A CA 2.165 54.154 52.037 -0.081 0.000 0.637 17 A CB -1.053 17.777 19.000 -0.283 0.000 0.827 17 A HN 0.555 nan 8.150 nan 0.000 0.450 18 A N 0.114 122.846 122.820 -0.147 0.000 2.042 18 A HA -0.270 4.050 4.320 -0.000 0.000 0.222 18 A C 2.072 179.545 177.584 -0.186 0.000 1.167 18 A CA 2.055 53.996 52.037 -0.159 0.000 0.649 18 A CB -0.744 18.160 19.000 -0.160 0.000 0.809 18 A HN 0.879 nan 8.150 nan 0.000 0.457 19 Q N -2.577 117.045 119.800 -0.298 0.000 2.482 19 Q HA 0.011 4.351 4.340 -0.000 0.000 0.209 19 Q C 0.528 176.141 176.000 -0.646 0.000 0.961 19 Q CA 0.982 56.505 55.803 -0.467 0.000 0.945 19 Q CB -0.308 28.084 28.738 -0.576 0.000 1.012 19 Q HN 0.689 nan 8.270 nan 0.000 0.515 20 Y N 0.844 121.110 120.300 -0.058 0.000 2.531 20 Y HA 0.400 4.950 4.550 -0.000 0.000 0.249 20 Y C 0.441 176.326 175.900 -0.024 0.000 1.168 20 Y CA -0.559 57.521 58.100 -0.033 0.000 1.226 20 Y CB 0.507 38.955 38.460 -0.020 0.000 1.177 20 Y HN 0.241 nan 8.280 nan 0.000 0.527 21 M N -2.255 117.362 119.600 0.028 0.000 2.813 21 M HA 0.571 5.051 4.480 -0.000 0.000 0.270 21 M C -2.015 174.269 176.300 -0.026 0.000 1.267 21 M CA -1.025 54.287 55.300 0.020 0.000 0.822 21 M CB 1.940 34.558 32.600 0.030 0.000 1.671 21 M HN -0.222 nan 8.290 nan 0.000 0.468 22 D N 1.887 122.287 120.400 0.000 0.000 2.313 22 D HA 0.649 5.289 4.640 -0.000 0.000 0.239 22 D C -1.027 175.243 176.300 -0.050 0.000 1.142 22 D CA 0.055 54.053 54.000 -0.004 0.000 0.847 22 D CB 1.610 42.439 40.800 0.048 0.000 1.082 22 D HN 0.605 nan 8.370 nan 0.000 0.480 23 I N 1.790 122.268 120.570 -0.153 0.000 2.571 23 I HA 0.158 4.328 4.170 -0.000 0.000 0.286 23 I C -0.358 175.623 176.117 -0.226 0.000 1.134 23 I CA -0.629 60.427 61.300 -0.407 0.000 1.052 23 I CB 1.141 38.786 38.000 -0.592 0.000 1.237 23 I HN 0.462 nan 8.210 nan 0.000 0.435 24 S N 4.101 119.742 115.700 -0.099 0.000 2.558 24 S HA -0.047 4.423 4.470 -0.000 0.000 0.287 24 S C 1.044 175.638 174.600 -0.010 0.000 1.321 24 S CA 0.150 58.361 58.200 0.019 0.000 1.048 24 S CB 1.377 64.661 63.200 0.141 0.000 0.844 24 S HN 0.821 nan 8.310 nan 0.000 0.512 25 E N 1.717 121.925 120.200 0.013 0.000 2.118 25 E HA -0.237 4.113 4.350 -0.000 0.000 0.195 25 E C 1.970 178.605 176.600 0.058 0.000 0.992 25 E CA 2.095 58.505 56.400 0.017 0.000 0.804 25 E CB -0.359 29.351 29.700 0.016 0.000 0.741 25 E HN 0.942 nan 8.360 nan 0.000 0.458 26 E N -0.194 120.060 120.200 0.091 0.000 2.106 26 E HA -0.161 4.189 4.350 -0.000 0.000 0.192 26 E C 2.090 178.819 176.600 0.215 0.000 0.984 26 E CA 1.100 57.590 56.400 0.150 0.000 0.806 26 E CB -0.333 29.460 29.700 0.156 0.000 0.750 26 E HN 0.270 nan 8.360 nan 0.000 0.458 27 A N 2.121 125.043 122.820 0.171 0.000 1.872 27 A HA -0.048 4.272 4.320 -0.000 0.000 0.214 27 A C 2.296 179.958 177.584 0.131 0.000 1.187 27 A CA 0.849 52.989 52.037 0.171 0.000 0.614 27 A CB -0.715 18.398 19.000 0.188 0.000 0.826 27 A HN 0.304 nan 8.150 nan 0.000 0.442 28 L N -0.354 120.886 121.223 0.027 0.000 2.013 28 L HA -0.226 4.114 4.340 -0.000 0.000 0.212 28 L C 2.640 179.577 176.870 0.112 0.000 1.073 28 L CA 1.966 56.824 54.840 0.030 0.000 0.753 28 L CB -0.465 41.577 42.059 -0.028 0.000 0.890 28 L HN 0.441 nan 8.230 nan 0.000 0.432 29 E N -0.901 119.373 120.200 0.123 0.000 2.106 29 E HA -0.258 4.092 4.350 -0.000 0.000 0.192 29 E C 1.778 178.482 176.600 0.172 0.000 0.984 29 E CA 0.943 57.414 56.400 0.119 0.000 0.806 29 E CB -0.363 29.390 29.700 0.087 0.000 0.750 29 E HN 0.610 nan 8.360 nan 0.000 0.458 30 W N 1.537 122.855 121.300 0.031 0.000 2.333 30 W HA -0.144 4.516 4.660 -0.000 0.000 0.316 30 W C 1.918 178.455 176.519 0.029 0.000 1.215 30 W CA 1.071 58.422 57.345 0.010 0.000 1.278 30 W CB -0.564 28.918 29.460 0.036 0.000 1.154 30 W HN 0.038 nan 8.180 nan 0.000 0.486 31 L N 0.694 122.192 121.223 0.460 0.000 2.201 31 L HA -0.194 4.146 4.340 -0.000 0.000 0.212 31 L C 2.389 179.536 176.870 0.463 0.000 1.105 31 L CA 1.202 56.315 54.840 0.454 0.000 0.775 31 L CB -0.664 41.687 42.059 0.487 0.000 0.913 31 L HN -0.148 nan 8.230 nan 0.000 0.440 32 K N 0.004 120.577 120.400 0.288 0.000 2.442 32 K HA -0.065 4.255 4.320 -0.000 0.000 0.198 32 K C 0.313 177.083 176.600 0.283 0.000 1.042 32 K CA 0.765 57.179 56.287 0.213 0.000 0.958 32 K CB 0.076 32.634 32.500 0.096 0.000 0.766 32 K HN 0.187 nan 8.250 nan 0.000 0.474 33 K N 1.114 121.648 120.400 0.224 0.000 2.413 33 K HA 0.250 4.570 4.320 -0.000 0.000 0.257 33 K C -2.782 173.857 176.600 0.064 0.000 0.946 33 K CA -2.402 53.963 56.287 0.130 0.000 0.823 33 K CB 1.972 34.435 32.500 -0.061 0.000 1.109 33 K HN -0.301 nan 8.250 nan 0.000 0.427 34 P HA -0.013 nan 4.420 nan 0.000 0.258 34 P C 0.357 177.586 177.300 -0.119 0.000 1.187 34 P CA 0.536 63.657 63.100 0.034 0.000 0.767 34 P CB 0.486 32.166 31.700 -0.033 0.000 0.770 35 M N 2.212 121.691 119.600 -0.202 0.000 2.175 35 M HA -0.102 4.378 4.480 -0.000 0.000 0.264 35 M C 1.125 177.396 176.300 -0.047 0.000 1.063 35 M CA 1.673 56.791 55.300 -0.303 0.000 1.119 35 M CB -0.030 32.141 32.600 -0.715 0.000 1.377 35 M HN 0.263 nan 8.290 nan 0.000 0.415 36 R N 0.346 120.930 120.500 0.140 0.000 2.574 36 R HA 0.615 4.955 4.340 -0.000 0.000 0.288 36 R C -1.905 174.452 176.300 0.095 0.000 1.004 36 R CA -0.315 55.882 56.100 0.162 0.000 0.895 36 R CB 1.720 32.193 30.300 0.287 0.000 1.191 36 R HN 0.093 nan 8.270 nan 0.000 0.444 37 I N 4.624 125.221 120.570 0.045 0.000 2.468 37 I HA 0.322 4.492 4.170 -0.000 0.000 0.285 37 I C -0.873 175.276 176.117 0.054 0.000 1.039 37 I CA -0.978 60.341 61.300 0.032 0.000 1.074 37 I CB 2.201 40.182 38.000 -0.031 0.000 1.228 37 I HN 0.256 nan 8.210 nan 0.000 0.436 38 V N 5.599 125.565 119.914 0.086 0.000 2.459 38 V HA 0.412 4.532 4.120 -0.000 0.000 0.295 38 V C -0.207 175.983 176.094 0.159 0.000 1.029 38 V CA -0.576 61.776 62.300 0.087 0.000 0.874 38 V CB 1.814 33.667 31.823 0.050 0.000 0.985 38 V HN 0.747 nan 8.190 nan 0.000 0.438 39 E N 4.204 124.492 120.200 0.146 0.000 2.191 39 E HA 0.677 5.026 4.350 -0.000 0.000 0.263 39 E C -1.365 175.274 176.600 0.065 0.000 0.881 39 E CA -0.547 55.968 56.400 0.192 0.000 0.757 39 E CB 2.013 31.880 29.700 0.279 0.000 1.147 39 E HN 0.598 nan 8.360 nan 0.000 0.414 40 V N 1.090 121.002 119.914 -0.004 0.000 2.914 40 V HA 0.573 4.693 4.120 -0.000 0.000 0.314 40 V C 0.078 176.153 176.094 -0.032 0.000 1.084 40 V CA -1.088 61.201 62.300 -0.019 0.000 0.963 40 V CB 1.732 33.530 31.823 -0.042 0.000 1.025 40 V HN 0.588 nan 8.190 nan 0.000 0.432 41 S N 1.669 117.359 115.700 -0.015 0.000 2.531 41 S HA 0.488 4.958 4.470 -0.000 0.000 0.279 41 S C -0.098 174.509 174.600 0.011 0.000 1.305 41 S CA -0.330 57.863 58.200 -0.011 0.000 1.058 41 S CB 0.985 64.177 63.200 -0.013 0.000 0.899 41 S HN 0.761 nan 8.310 nan 0.000 0.493 42 V N 6.703 126.645 119.914 0.046 0.000 2.276 42 V HA 0.329 4.449 4.120 -0.000 0.000 0.268 42 V C -2.229 173.944 176.094 0.133 0.000 1.032 42 V CA -1.706 60.648 62.300 0.090 0.000 0.810 42 V CB 0.818 32.715 31.823 0.122 0.000 1.060 42 V HN 0.642 nan 8.190 nan 0.000 0.446 43 P HA 0.583 nan 4.420 nan 0.000 0.288 43 P C -0.678 176.673 177.300 0.084 0.000 1.267 43 P CA -0.331 62.807 63.100 0.064 0.000 0.815 43 P CB 2.154 33.859 31.700 0.009 0.000 0.989 44 I N -2.020 118.617 120.570 0.112 0.000 2.730 44 I HA 0.531 4.701 4.170 -0.000 0.000 0.298 44 I C -0.415 175.728 176.117 0.043 0.000 1.089 44 I CA -1.364 59.981 61.300 0.075 0.000 1.041 44 I CB 2.826 40.881 38.000 0.091 0.000 1.235 44 I HN 0.174 nan 8.210 nan 0.000 0.423 45 E N 5.430 125.638 120.200 0.013 0.000 2.129 45 E HA 0.218 4.568 4.350 -0.000 0.000 0.283 45 E C -0.347 176.257 176.600 0.006 0.000 1.080 45 E CA -0.825 55.576 56.400 0.001 0.000 0.867 45 E CB 0.706 30.400 29.700 -0.010 0.000 1.056 45 E HN 0.461 nan 8.360 nan 0.000 0.404 46 M N 3.040 122.648 119.600 0.014 0.000 2.247 46 M HA -0.085 4.395 4.480 -0.000 0.000 0.318 46 M C 0.867 177.166 176.300 -0.001 0.000 1.054 46 M CA 0.512 55.821 55.300 0.015 0.000 1.117 46 M CB 0.020 32.629 32.600 0.014 0.000 1.515 46 M HN 0.515 nan 8.290 nan 0.000 0.442 47 D N 1.278 121.677 120.400 -0.003 0.000 2.228 47 D HA -0.185 4.455 4.640 -0.000 0.000 0.203 47 D C 1.126 177.423 176.300 -0.006 0.000 0.988 47 D CA 1.248 55.244 54.000 -0.007 0.000 0.864 47 D CB -0.136 40.661 40.800 -0.005 0.000 0.928 47 D HN 0.509 nan 8.370 nan 0.000 0.469 48 D N -0.026 120.372 120.400 -0.004 0.000 2.172 48 D HA -0.165 4.475 4.640 -0.000 0.000 0.196 48 D C 1.925 178.220 176.300 -0.009 0.000 0.999 48 D CA 2.022 56.018 54.000 -0.006 0.000 0.856 48 D CB -0.247 40.549 40.800 -0.008 0.000 0.934 48 D HN 0.435 nan 8.370 nan 0.000 0.453 49 G N -0.310 108.484 108.800 -0.010 0.000 2.213 49 G HA2 -0.252 3.708 3.960 -0.000 0.000 0.226 49 G HA3 -0.252 3.708 3.960 -0.000 0.000 0.226 49 G C 0.402 175.293 174.900 -0.015 0.000 0.992 49 G CA 0.552 45.644 45.100 -0.012 0.000 0.632 49 G HN 0.652 nan 8.290 nan 0.000 0.511 50 S N -0.182 115.508 115.700 -0.017 0.000 2.586 50 S HA 0.720 5.190 4.470 -0.000 0.000 0.274 50 S C 0.113 174.697 174.600 -0.027 0.000 1.281 50 S CA -0.262 57.923 58.200 -0.024 0.000 1.035 50 S CB 2.466 65.648 63.200 -0.029 0.000 0.962 50 S HN 0.997 nan 8.310 nan 0.000 0.512 51 V N 2.838 122.730 119.914 -0.037 0.000 2.439 51 V HA 0.613 4.733 4.120 -0.000 0.000 0.282 51 V C 0.029 176.075 176.094 -0.081 0.000 1.039 51 V CA -0.561 61.714 62.300 -0.042 0.000 0.913 51 V CB 1.082 32.883 31.823 -0.036 0.000 0.983 51 V HN 1.020 nan 8.190 nan 0.000 0.460 52 K N 4.111 124.447 120.400 -0.106 0.000 2.443 52 K HA 0.656 4.976 4.320 -0.000 0.000 0.252 52 K C -1.626 174.774 176.600 -0.334 0.000 0.933 52 K CA -0.472 55.662 56.287 -0.255 0.000 0.792 52 K CB 2.134 34.447 32.500 -0.312 0.000 1.185 52 K HN 0.358 nan 8.250 nan 0.000 0.425 53 V N 5.801 125.488 119.914 -0.377 0.000 2.350 53 V HA 0.478 4.598 4.120 -0.000 0.000 0.276 53 V C -0.529 175.319 176.094 -0.411 0.000 1.028 53 V CA -0.494 61.645 62.300 -0.267 0.000 0.860 53 V CB 0.082 31.819 31.823 -0.144 0.000 0.990 53 V HN 0.642 nan 8.190 nan 0.000 0.453 54 F N 1.690 121.581 119.950 -0.098 0.000 2.410 54 F HA 0.554 5.081 4.527 -0.000 0.000 0.324 54 F C 0.971 176.690 175.800 -0.134 0.000 1.093 54 F CA -0.526 57.398 58.000 -0.127 0.000 1.028 54 F CB 1.254 40.146 39.000 -0.182 0.000 1.309 54 F HN 0.254 nan 8.300 nan 0.000 0.499 55 T N 0.701 115.272 114.554 0.027 0.000 2.770 55 T HA 0.585 4.935 4.350 -0.000 0.000 0.283 55 T C -0.005 174.464 174.700 -0.384 0.000 0.988 55 T CA -0.682 61.326 62.100 -0.153 0.000 0.957 55 T CB 0.896 69.687 68.868 -0.128 0.000 0.930 55 T HN 0.816 nan 8.240 nan 0.000 0.443 56 G N 2.128 110.703 108.800 -0.375 0.000 2.453 56 G HA2 0.750 4.710 3.960 -0.000 0.000 0.323 56 G HA3 0.750 4.710 3.960 -0.000 0.000 0.323 56 G C -1.420 173.151 174.900 -0.547 0.000 1.198 56 G CA -0.610 44.277 45.100 -0.356 0.000 0.959 56 G HN 0.510 nan 8.290 nan 0.000 0.482 57 F N -0.466 119.637 119.950 0.256 0.000 2.577 57 F HA 0.823 5.350 4.527 -0.000 0.000 0.318 57 F C 0.199 176.134 175.800 0.224 0.000 1.065 57 F CA -1.212 56.891 58.000 0.172 0.000 0.929 57 F CB 2.828 41.895 39.000 0.112 0.000 1.237 57 F HN 0.432 nan 8.300 nan 0.000 0.468 58 R N 0.907 121.595 120.500 0.313 0.000 2.533 58 R HA 0.791 5.131 4.340 -0.000 0.000 0.288 58 R C -2.361 174.032 176.300 0.155 0.000 1.039 58 R CA -0.480 55.754 56.100 0.223 0.000 0.909 58 R CB 1.801 32.180 30.300 0.131 0.000 1.195 58 R HN 0.537 nan 8.270 nan 0.000 0.438 59 V N 4.924 124.915 119.914 0.129 0.000 2.540 59 V HA 0.475 4.595 4.120 -0.000 0.000 0.302 59 V C -0.689 175.473 176.094 0.112 0.000 1.035 59 V CA -0.709 61.645 62.300 0.091 0.000 0.873 59 V CB 1.932 33.776 31.823 0.035 0.000 0.992 59 V HN 0.720 nan 8.190 nan 0.000 0.428 60 Q N 3.087 122.985 119.800 0.164 0.000 2.381 60 Q HA 0.354 4.694 4.340 -0.000 0.000 0.263 60 Q C 0.597 176.774 176.000 0.295 0.000 1.030 60 Q CA -0.515 55.444 55.803 0.259 0.000 0.772 60 Q CB 1.590 30.529 28.738 0.336 0.000 1.232 60 Q HN 0.860 nan 8.270 nan 0.000 0.476 61 H N 2.923 122.056 119.070 0.106 0.000 2.343 61 H HA 0.101 4.657 4.556 -0.000 0.000 0.303 61 H C -0.278 175.058 175.328 0.013 0.000 1.068 61 H CA 0.941 56.998 56.048 0.015 0.000 1.359 61 H CB 0.922 30.640 29.762 -0.073 0.000 1.402 61 H HN 0.513 nan 8.280 nan 0.000 0.515 62 N N -0.592 118.082 118.700 -0.042 0.000 2.600 62 N HA -0.021 4.719 4.740 -0.000 0.000 0.272 62 N C -1.522 174.134 175.510 0.244 0.000 1.095 62 N CA -0.430 52.567 53.050 -0.088 0.000 0.993 62 N CB 0.681 39.056 38.487 -0.186 0.000 1.603 62 N HN 0.394 nan 8.380 nan 0.000 0.526 63 W N 3.440 124.915 121.300 0.292 0.000 2.570 63 W HA 0.629 5.289 4.660 -0.000 0.000 0.410 63 W C 0.705 177.357 176.519 0.220 0.000 0.889 63 W CA -0.443 57.048 57.345 0.243 0.000 2.386 63 W CB -0.391 29.210 29.460 0.235 0.000 1.228 63 W HN 0.536 nan 8.180 nan 0.000 0.692 64 A N 1.524 124.452 122.820 0.181 0.000 1.898 64 A HA -0.078 4.242 4.320 -0.000 0.000 0.216 64 A C 2.201 179.719 177.584 -0.109 0.000 1.181 64 A CA 1.079 52.937 52.037 -0.298 0.000 0.620 64 A CB -0.262 18.419 19.000 -0.532 0.000 0.819 64 A HN 0.265 nan 8.150 nan 0.000 0.442 65 R N -0.673 119.840 120.500 0.023 0.000 2.193 65 R HA 0.175 4.515 4.340 -0.000 0.000 0.213 65 R C 0.939 177.305 176.300 0.109 0.000 1.055 65 R CA 0.917 57.044 56.100 0.044 0.000 0.995 65 R CB -0.270 30.069 30.300 0.065 0.000 0.893 65 R HN 0.614 nan 8.270 nan 0.000 0.459 66 G N -0.125 108.792 108.800 0.195 0.000 2.345 66 G HA2 0.060 4.020 3.960 -0.000 0.000 0.285 66 G HA3 0.060 4.020 3.960 -0.000 0.000 0.285 66 G C -3.074 171.998 174.900 0.287 0.000 1.297 66 G CA -1.179 44.073 45.100 0.252 0.000 0.875 66 G HN -0.225 nan 8.290 nan 0.000 0.506 67 P HA 0.236 nan 4.420 nan 0.000 0.266 67 P C 0.563 177.861 177.300 -0.004 0.000 1.186 67 P CA 0.429 63.593 63.100 0.106 0.000 0.767 67 P CB 0.286 31.988 31.700 0.003 0.000 0.820 68 T N -0.288 114.237 114.554 -0.049 0.000 2.869 68 T HA 0.498 4.848 4.350 -0.000 0.000 0.295 68 T C -0.214 174.293 174.700 -0.321 0.000 0.987 68 T CA -0.610 61.438 62.100 -0.087 0.000 1.109 68 T CB 0.723 69.624 68.868 0.055 0.000 0.932 68 T HN 0.115 nan 8.240 nan 0.000 0.518 69 K N 1.238 121.402 120.400 -0.394 0.000 2.345 69 K HA 0.760 5.080 4.320 -0.000 0.000 0.255 69 K C -0.252 176.200 176.600 -0.247 0.000 0.934 69 K CA -0.167 55.810 56.287 -0.515 0.000 0.801 69 K CB 1.472 33.438 32.500 -0.889 0.000 1.137 69 K HN 1.191 nan 8.250 nan 0.000 0.424 70 G N 0.953 109.642 108.800 -0.184 0.000 2.377 70 G HA2 0.425 4.385 3.960 -0.000 0.000 0.297 70 G HA3 0.425 4.385 3.960 -0.000 0.000 0.297 70 G C -0.799 174.064 174.900 -0.061 0.000 1.547 70 G CA -0.422 44.619 45.100 -0.097 0.000 0.833 70 G HN 0.715 nan 8.290 nan 0.000 0.583 71 G N -1.194 107.581 108.800 -0.042 0.000 2.580 71 G HA2 0.601 4.561 3.960 -0.000 0.000 0.278 71 G HA3 0.601 4.561 3.960 -0.000 0.000 0.278 71 G C -0.261 174.635 174.900 -0.007 0.000 1.212 71 G CA -0.713 44.363 45.100 -0.041 0.000 0.939 71 G HN 0.718 nan 8.290 nan 0.000 0.513 72 I N -0.019 120.528 120.570 -0.039 0.000 2.404 72 I HA 0.377 4.547 4.170 -0.000 0.000 0.293 72 I C -0.008 176.086 176.117 -0.038 0.000 0.992 72 I CA -0.563 60.720 61.300 -0.028 0.000 1.149 72 I CB 1.982 39.913 38.000 -0.114 0.000 1.315 72 I HN 0.289 nan 8.210 nan 0.000 0.446 73 R N 5.108 125.666 120.500 0.096 0.000 2.387 73 R HA 0.400 4.740 4.340 -0.000 0.000 0.314 73 R C -1.692 174.864 176.300 0.427 0.000 0.958 73 R CA -0.599 55.599 56.100 0.164 0.000 0.846 73 R CB 1.488 31.877 30.300 0.147 0.000 1.147 73 R HN 0.416 nan 8.270 nan 0.000 0.447 74 W N 3.815 125.174 121.300 0.099 0.000 2.329 74 W HA 0.378 5.038 4.660 -0.000 0.000 0.312 74 W C 0.194 176.925 176.519 0.355 0.000 1.054 74 W CA -0.241 57.184 57.345 0.134 0.000 1.245 74 W CB 0.433 29.932 29.460 0.066 0.000 1.255 74 W HN 0.449 nan 8.180 nan 0.000 0.436 75 H N 4.516 123.784 119.070 0.331 0.000 3.139 75 H HA 0.067 4.623 4.556 -0.000 0.000 0.325 75 H C -2.030 173.416 175.328 0.197 0.000 1.146 75 H CA -1.124 55.103 56.048 0.298 0.000 1.351 75 H CB 3.101 32.991 29.762 0.213 0.000 2.005 75 H HN 0.039 nan 8.280 nan 0.000 0.517 76 P HA 0.076 nan 4.420 nan 0.000 0.236 76 P C 0.414 177.651 177.300 -0.105 0.000 1.177 76 P CA 0.591 63.599 63.100 -0.154 0.000 0.773 76 P CB 0.401 32.024 31.700 -0.128 0.000 0.878 77 A N -0.316 122.395 122.820 -0.181 0.000 2.701 77 A HA 0.260 4.580 4.320 -0.000 0.000 0.297 77 A C 0.360 178.067 177.584 0.206 0.000 1.197 77 A CA -0.155 51.910 52.037 0.047 0.000 0.963 77 A CB -0.486 18.564 19.000 0.083 0.000 1.175 77 A HN -0.091 nan 8.150 nan 0.000 0.531 78 E N 1.674 122.017 120.200 0.238 0.000 2.316 78 E HA 0.412 4.762 4.350 -0.000 0.000 0.275 78 E C 0.326 177.088 176.600 0.269 0.000 1.029 78 E CA 0.395 56.979 56.400 0.306 0.000 0.871 78 E CB 0.595 30.512 29.700 0.362 0.000 1.022 78 E HN 0.447 nan 8.360 nan 0.000 0.418 79 T N 1.701 116.346 114.554 0.151 0.000 2.887 79 T HA 0.271 4.621 4.350 -0.000 0.000 0.288 79 T C 0.783 175.306 174.700 -0.295 0.000 1.021 79 T CA -0.902 61.190 62.100 -0.014 0.000 1.000 79 T CB 1.102 69.972 68.868 0.002 0.000 1.034 79 T HN 0.367 nan 8.240 nan 0.000 0.467 80 L N 2.370 123.186 121.223 -0.677 0.000 2.079 80 L HA 0.025 4.365 4.340 -0.000 0.000 0.210 80 L C 2.693 179.320 176.870 -0.405 0.000 1.081 80 L CA 2.317 56.638 54.840 -0.866 0.000 0.752 80 L CB -1.077 40.504 42.059 -0.797 0.000 0.896 80 L HN 0.921 nan 8.230 nan 0.000 0.433 81 S N -1.798 113.757 115.700 -0.242 0.000 2.400 81 S HA -0.198 4.272 4.470 -0.000 0.000 0.232 81 S C 1.862 176.440 174.600 -0.036 0.000 1.025 81 S CA 1.849 59.983 58.200 -0.109 0.000 0.993 81 S CB -0.374 62.825 63.200 -0.002 0.000 0.808 81 S HN 0.684 nan 8.310 nan 0.000 0.478 82 T N 1.480 116.015 114.554 -0.030 0.000 2.770 82 T HA -0.019 4.331 4.350 -0.000 0.000 0.263 82 T C 1.868 176.591 174.700 0.038 0.000 1.039 82 T CA 1.445 63.574 62.100 0.047 0.000 1.142 82 T CB -0.481 68.436 68.868 0.081 0.000 0.868 82 T HN 0.285 nan 8.240 nan 0.000 0.435 83 V N 1.741 121.646 119.914 -0.015 0.000 2.332 83 V HA -0.217 3.903 4.120 -0.000 0.000 0.248 83 V C 2.409 178.484 176.094 -0.031 0.000 1.055 83 V CA 1.626 63.935 62.300 0.015 0.000 1.038 83 V CB -0.589 31.255 31.823 0.035 0.000 0.651 83 V HN 0.471 nan 8.190 nan 0.000 0.450 84 K N 0.436 120.760 120.400 -0.126 0.000 2.057 84 K HA -0.105 4.215 4.320 -0.000 0.000 0.207 84 K C 2.345 178.908 176.600 -0.062 0.000 1.049 84 K CA 1.491 57.662 56.287 -0.194 0.000 0.931 84 K CB -0.467 31.716 32.500 -0.527 0.000 0.714 84 K HN 0.472 nan 8.250 nan 0.000 0.440 85 A N 1.215 124.044 122.820 0.014 0.000 1.933 85 A HA -0.120 4.200 4.320 -0.000 0.000 0.218 85 A C 2.085 179.541 177.584 -0.214 0.000 1.175 85 A CA 1.285 53.209 52.037 -0.188 0.000 0.628 85 A CB -0.533 18.360 19.000 -0.178 0.000 0.814 85 A HN 0.153 nan 8.150 nan 0.000 0.444 86 L N -1.127 120.138 121.223 0.069 0.000 2.131 86 L HA -0.059 4.281 4.340 -0.000 0.000 0.206 86 L C 3.066 179.967 176.870 0.052 0.000 1.087 86 L CA 0.765 55.729 54.840 0.206 0.000 0.767 86 L CB -0.562 41.603 42.059 0.175 0.000 0.917 86 L HN 0.397 nan 8.230 nan 0.000 0.441 87 A N 0.159 122.960 122.820 -0.031 0.000 1.883 87 A HA -0.232 4.088 4.320 -0.000 0.000 0.217 87 A C 2.381 179.802 177.584 -0.272 0.000 1.186 87 A CA 2.554 54.544 52.037 -0.077 0.000 0.624 87 A CB -1.074 17.914 19.000 -0.021 0.000 0.822 87 A HN 0.384 nan 8.150 nan 0.000 0.444 88 T N -1.468 112.802 114.554 -0.473 0.000 2.720 88 T HA -0.190 4.160 4.350 -0.000 0.000 0.268 88 T C 1.605 175.740 174.700 -0.942 0.000 1.037 88 T CA 1.326 62.804 62.100 -1.036 0.000 1.144 88 T CB -0.310 68.089 68.868 -0.781 0.000 0.864 88 T HN 0.646 nan 8.240 nan 0.000 0.444 89 W N 0.764 121.804 121.300 -0.434 0.000 2.402 89 W HA 0.139 4.799 4.660 -0.000 0.000 0.286 89 W C 2.216 178.484 176.519 -0.417 0.000 1.221 89 W CA 0.215 57.346 57.345 -0.356 0.000 1.257 89 W CB -0.978 28.408 29.460 -0.123 0.000 1.120 89 W HN 0.244 nan 8.180 nan 0.000 0.551 90 M N 0.277 119.812 119.600 -0.107 0.000 2.267 90 M HA -0.156 4.324 4.480 -0.000 0.000 0.263 90 M C 1.826 178.031 176.300 -0.158 0.000 1.063 90 M CA 1.746 56.990 55.300 -0.093 0.000 1.090 90 M CB -0.999 31.561 32.600 -0.066 0.000 1.392 90 M HN -0.273 nan 8.290 nan 0.000 0.422 91 T N -1.041 113.291 114.554 -0.370 0.000 2.857 91 T HA -0.139 4.211 4.350 -0.000 0.000 0.266 91 T C 1.243 175.830 174.700 -0.187 0.000 1.048 91 T CA 1.706 63.602 62.100 -0.340 0.000 1.139 91 T CB -0.447 68.114 68.868 -0.512 0.000 0.874 91 T HN 0.641 nan 8.240 nan 0.000 0.455 92 W N 1.573 122.882 121.300 0.014 0.000 2.518 92 W HA 0.194 4.854 4.660 -0.000 0.000 0.273 92 W C 2.443 178.995 176.519 0.054 0.000 1.247 92 W CA -0.109 57.210 57.345 -0.043 0.000 1.288 92 W CB -0.093 29.163 29.460 -0.340 0.000 1.107 92 W HN 0.124 nan 8.180 nan 0.000 0.586 93 K N 1.505 122.016 120.400 0.184 0.000 2.002 93 K HA -0.197 4.123 4.320 -0.000 0.000 0.209 93 K C 2.025 178.742 176.600 0.195 0.000 1.048 93 K CA 2.210 58.672 56.287 0.292 0.000 0.930 93 K CB -0.427 32.176 32.500 0.171 0.000 0.714 93 K HN 0.134 nan 8.250 nan 0.000 0.438 94 V N -1.416 118.569 119.914 0.118 0.000 2.720 94 V HA -0.073 4.047 4.120 -0.000 0.000 0.256 94 V C 2.073 178.218 176.094 0.086 0.000 1.082 94 V CA 1.663 64.019 62.300 0.093 0.000 1.101 94 V CB -0.808 31.087 31.823 0.120 0.000 0.693 94 V HN 0.341 nan 8.190 nan 0.000 0.479 95 A N 0.011 122.919 122.820 0.147 0.000 1.935 95 A HA 0.030 4.350 4.320 -0.000 0.000 0.214 95 A C 2.359 180.035 177.584 0.153 0.000 1.178 95 A CA 1.481 53.613 52.037 0.158 0.000 0.640 95 A CB -0.601 18.545 19.000 0.243 0.000 0.825 95 A HN 0.482 nan 8.150 nan 0.000 0.447 96 V N -0.634 119.405 119.914 0.208 0.000 2.594 96 V HA -0.102 4.018 4.120 -0.000 0.000 0.253 96 V C 1.864 177.997 176.094 0.064 0.000 1.069 96 V CA 2.030 64.418 62.300 0.146 0.000 1.082 96 V CB 0.283 32.194 31.823 0.147 0.000 0.680 96 V HN 0.275 nan 8.190 nan 0.000 0.469 97 V N 0.280 120.229 119.914 0.059 0.000 3.376 97 V HA 0.265 4.385 4.120 -0.000 0.000 0.313 97 V C 0.696 176.781 176.094 -0.015 0.000 1.393 97 V CA 0.780 63.092 62.300 0.021 0.000 1.125 97 V CB -0.322 31.510 31.823 0.015 0.000 1.037 97 V HN 0.855 nan 8.190 nan 0.000 0.440 98 D N 0.564 120.959 120.400 -0.008 0.000 2.716 98 D HA -0.181 4.459 4.640 -0.000 0.000 0.239 98 D C -0.254 175.957 176.300 -0.149 0.000 1.125 98 D CA 0.652 54.630 54.000 -0.035 0.000 0.681 98 D CB -1.136 39.664 40.800 -0.000 0.000 1.070 98 D HN 0.412 nan 8.370 nan 0.000 0.432 99 L N 0.209 121.294 121.223 -0.229 0.000 2.357 99 L HA 0.452 4.792 4.340 -0.000 0.000 0.273 99 L C -1.343 175.286 176.870 -0.402 0.000 1.080 99 L CA -1.791 52.722 54.840 -0.544 0.000 0.803 99 L CB 0.927 42.615 42.059 -0.617 0.000 1.174 99 L HN -0.075 nan 8.230 nan 0.000 0.443 100 P HA 0.126 nan 4.420 nan 0.000 0.226 100 P C -1.333 175.863 177.300 -0.174 0.000 1.783 100 P CA 0.256 63.221 63.100 -0.224 0.000 0.980 100 P CB -0.244 31.408 31.700 -0.080 0.000 1.967 101 Y N -0.144 120.092 120.300 -0.107 0.000 2.634 101 Y HA 0.699 5.249 4.550 -0.000 0.000 0.340 101 Y C 1.001 176.893 175.900 -0.013 0.000 1.058 101 Y CA -1.127 56.912 58.100 -0.102 0.000 1.081 101 Y CB 1.317 39.670 38.460 -0.177 0.000 1.295 101 Y HN 0.091 nan 8.280 nan 0.000 0.487 102 G N -0.871 108.045 108.800 0.192 0.000 3.013 102 G HA2 0.546 4.506 3.960 -0.000 0.000 0.278 102 G HA3 0.546 4.506 3.960 -0.000 0.000 0.278 102 G C -0.806 174.128 174.900 0.057 0.000 1.353 102 G CA -0.800 44.387 45.100 0.145 0.000 1.043 102 G HN 0.806 nan 8.290 nan 0.000 0.523 103 G N -1.278 107.551 108.800 0.050 0.000 2.338 103 G HA2 0.607 4.567 3.960 -0.000 0.000 0.298 103 G HA3 0.607 4.567 3.960 -0.000 0.000 0.298 103 G C -0.016 174.903 174.900 0.031 0.000 1.140 103 G CA 0.317 45.408 45.100 -0.015 0.000 0.860 103 G HN 0.904 nan 8.290 nan 0.000 0.470 104 G N 0.233 109.024 108.800 -0.016 0.000 2.658 104 G HA2 0.699 4.659 3.960 -0.000 0.000 0.292 104 G HA3 0.699 4.659 3.960 -0.000 0.000 0.292 104 G C -1.363 173.541 174.900 0.007 0.000 1.320 104 G CA -0.773 44.337 45.100 0.016 0.000 0.933 104 G HN 0.701 nan 8.290 nan 0.000 0.476 105 K N -1.561 118.865 120.400 0.044 0.000 2.597 105 K HA 0.669 4.989 4.320 -0.000 0.000 0.282 105 K C -0.415 176.259 176.600 0.123 0.000 0.975 105 K CA -0.054 56.271 56.287 0.062 0.000 0.867 105 K CB 1.969 34.503 32.500 0.058 0.000 1.465 105 K HN 1.121 nan 8.250 nan 0.000 0.417 106 G N -0.399 108.493 108.800 0.152 0.000 2.725 106 G HA2 0.783 4.743 3.960 -0.000 0.000 0.288 106 G HA3 0.783 4.743 3.960 -0.000 0.000 0.288 106 G C -1.135 173.909 174.900 0.240 0.000 1.399 106 G CA -0.570 44.680 45.100 0.251 0.000 0.859 106 G HN 0.768 nan 8.290 nan 0.000 0.479 107 G N -1.019 107.956 108.800 0.292 0.000 2.702 107 G HA2 0.547 4.507 3.960 -0.000 0.000 0.296 107 G HA3 0.547 4.507 3.960 -0.000 0.000 0.296 107 G C -1.541 173.427 174.900 0.114 0.000 1.463 107 G CA -0.623 44.643 45.100 0.276 0.000 0.890 107 G HN 0.667 nan 8.290 nan 0.000 0.534 108 I N 1.436 122.038 120.570 0.053 0.000 2.498 108 I HA 0.358 4.528 4.170 -0.000 0.000 0.290 108 I C -0.182 175.910 176.117 -0.041 0.000 1.032 108 I CA -0.897 60.310 61.300 -0.154 0.000 1.073 108 I CB 2.405 40.120 38.000 -0.475 0.000 1.251 108 I HN 0.306 nan 8.210 nan 0.000 0.426 109 I N 6.717 127.276 120.570 -0.019 0.000 2.372 109 I HA 0.219 4.389 4.170 -0.000 0.000 0.298 109 I C -0.250 175.900 176.117 0.056 0.000 1.137 109 I CA 0.114 61.459 61.300 0.075 0.000 1.314 109 I CB 0.264 38.337 38.000 0.120 0.000 1.444 109 I HN 0.258 nan 8.210 nan 0.000 0.541 110 V N 5.912 125.821 119.914 -0.009 0.000 3.048 110 V HA 0.381 4.501 4.120 -0.000 0.000 0.303 110 V C -1.052 175.023 176.094 -0.031 0.000 1.214 110 V CA -0.730 61.532 62.300 -0.065 0.000 0.984 110 V CB 2.703 34.225 31.823 -0.501 0.000 1.054 110 V HN 0.660 nan 8.190 nan 0.000 0.430 111 N N 5.924 124.614 118.700 -0.017 0.000 2.521 111 N HA 0.474 5.214 4.740 -0.000 0.000 0.236 111 N C -1.918 173.545 175.510 -0.079 0.000 1.067 111 N CA -2.123 50.909 53.050 -0.029 0.000 0.939 111 N CB 1.780 40.261 38.487 -0.011 0.000 1.201 111 N HN 0.401 nan 8.380 nan 0.000 0.511 112 P HA -0.093 nan 4.420 nan 0.000 0.220 112 P C 1.134 178.367 177.300 -0.111 0.000 1.148 112 P CA 1.350 64.406 63.100 -0.073 0.000 0.803 112 P CB 0.218 31.937 31.700 0.032 0.000 0.782 113 K N 0.735 121.022 120.400 -0.189 0.000 2.209 113 K HA -0.162 4.158 4.320 -0.000 0.000 0.204 113 K C 1.758 178.323 176.600 -0.058 0.000 1.048 113 K CA 1.563 57.770 56.287 -0.133 0.000 0.940 113 K CB -1.602 30.819 32.500 -0.133 0.000 0.729 113 K HN 0.371 nan 8.250 nan 0.000 0.451 114 E N -0.423 119.751 120.200 -0.044 0.000 2.502 114 E HA 0.195 4.545 4.350 -0.000 0.000 0.194 114 E C -0.369 176.226 176.600 -0.009 0.000 1.062 114 E CA -0.311 56.081 56.400 -0.014 0.000 0.867 114 E CB -0.026 29.675 29.700 0.003 0.000 0.888 114 E HN 0.444 nan 8.360 nan 0.000 0.510 115 L N 1.699 122.909 121.223 -0.021 0.000 2.296 115 L HA 0.221 4.561 4.340 -0.000 0.000 0.286 115 L C 0.694 177.571 176.870 0.011 0.000 1.023 115 L CA -0.808 54.023 54.840 -0.015 0.000 0.812 115 L CB 1.503 43.530 42.059 -0.055 0.000 1.223 115 L HN 0.058 nan 8.230 nan 0.000 0.421 116 S N 1.829 117.536 115.700 0.012 0.000 2.592 116 S HA 0.041 4.511 4.470 -0.000 0.000 0.256 116 S C 0.916 175.544 174.600 0.046 0.000 1.369 116 S CA -0.383 57.830 58.200 0.023 0.000 0.984 116 S CB 0.917 64.123 63.200 0.010 0.000 0.919 116 S HN 0.611 nan 8.310 nan 0.000 0.576 117 E N 0.694 120.934 120.200 0.067 0.000 2.072 117 E HA -0.090 4.260 4.350 -0.000 0.000 0.190 117 E C 2.190 178.794 176.600 0.005 0.000 0.982 117 E CA 1.017 57.496 56.400 0.132 0.000 0.803 117 E CB -0.437 29.365 29.700 0.170 0.000 0.755 117 E HN 0.774 nan 8.360 nan 0.000 0.453 118 R N 1.567 122.045 120.500 -0.037 0.000 2.083 118 R HA -0.145 4.195 4.340 -0.000 0.000 0.237 118 R C 1.980 178.194 176.300 -0.142 0.000 1.137 118 R CA 1.835 57.866 56.100 -0.114 0.000 0.951 118 R CB -0.113 30.150 30.300 -0.062 0.000 0.851 118 R HN 0.114 nan 8.270 nan 0.000 0.434 119 E N -0.164 119.991 120.200 -0.076 0.000 2.106 119 E HA -0.194 4.156 4.350 -0.000 0.000 0.192 119 E C 2.170 178.714 176.600 -0.093 0.000 0.984 119 E CA 1.257 57.613 56.400 -0.073 0.000 0.806 119 E CB -0.003 29.676 29.700 -0.035 0.000 0.750 119 E HN 0.497 nan 8.360 nan 0.000 0.458 120 Q N 0.475 120.259 119.800 -0.027 0.000 2.124 120 Q HA -0.218 4.122 4.340 -0.000 0.000 0.202 120 Q C 2.088 178.120 176.000 0.053 0.000 0.977 120 Q CA 1.203 57.087 55.803 0.135 0.000 0.850 120 Q CB -0.019 28.948 28.738 0.381 0.000 0.901 120 Q HN 0.312 nan 8.270 nan 0.000 0.429 121 E N 0.903 120.818 120.200 -0.476 0.000 2.028 121 E HA -0.176 4.174 4.350 -0.000 0.000 0.191 121 E C 1.971 178.364 176.600 -0.345 0.000 0.988 121 E CA 0.654 56.497 56.400 -0.928 0.000 0.799 121 E CB 0.142 28.975 29.700 -1.444 0.000 0.755 121 E HN 0.207 nan 8.360 nan 0.000 0.447 122 R N 0.087 120.436 120.500 -0.252 0.000 2.133 122 R HA -0.209 4.131 4.340 -0.000 0.000 0.247 122 R C 2.521 178.787 176.300 -0.056 0.000 1.151 122 R CA 1.447 57.473 56.100 -0.123 0.000 0.971 122 R CB -0.414 29.830 30.300 -0.095 0.000 0.866 122 R HN 0.239 nan 8.270 nan 0.000 0.447 123 L N 0.131 121.307 121.223 -0.079 0.000 2.179 123 L HA 0.033 4.373 4.340 -0.000 0.000 0.208 123 L C 2.212 179.132 176.870 0.084 0.000 1.096 123 L CA 1.516 56.276 54.840 -0.133 0.000 0.779 123 L CB -0.284 41.473 42.059 -0.504 0.000 0.922 123 L HN 0.095 nan 8.230 nan 0.000 0.443 124 A N -0.430 122.574 122.820 0.307 0.000 1.930 124 A HA -0.145 4.175 4.320 -0.000 0.000 0.217 124 A C 2.394 180.182 177.584 0.340 0.000 1.175 124 A CA 1.406 53.740 52.037 0.496 0.000 0.627 124 A CB -0.423 18.927 19.000 0.583 0.000 0.815 124 A HN 0.457 nan 8.150 nan 0.000 0.443 125 R N -0.551 120.066 120.500 0.194 0.000 2.062 125 R HA 0.003 4.343 4.340 -0.000 0.000 0.229 125 R C 2.491 178.878 176.300 0.144 0.000 1.128 125 R CA 1.103 57.292 56.100 0.149 0.000 0.960 125 R CB -0.454 29.875 30.300 0.049 0.000 0.855 125 R HN 0.474 nan 8.270 nan 0.000 0.432 126 A N 0.526 123.414 122.820 0.113 0.000 1.978 126 A HA -0.227 4.093 4.320 -0.000 0.000 0.220 126 A C 1.960 179.633 177.584 0.148 0.000 1.170 126 A CA 1.191 53.288 52.037 0.100 0.000 0.636 126 A CB -0.654 18.388 19.000 0.070 0.000 0.810 126 A HN 0.449 nan 8.150 nan 0.000 0.448 127 Y N 0.547 120.896 120.300 0.082 0.000 2.163 127 Y HA -0.181 4.369 4.550 -0.000 0.000 0.288 127 Y C 2.037 178.017 175.900 0.134 0.000 1.136 127 Y CA 1.566 59.726 58.100 0.099 0.000 1.147 127 Y CB -0.082 38.471 38.460 0.156 0.000 0.987 127 Y HN 0.238 nan 8.280 nan 0.000 0.509 128 I N 0.480 121.186 120.570 0.227 0.000 2.226 128 I HA -0.276 3.894 4.170 -0.000 0.000 0.245 128 I C 2.291 178.510 176.117 0.170 0.000 1.100 128 I CA 1.494 62.911 61.300 0.195 0.000 1.374 128 I CB -1.252 36.933 38.000 0.308 0.000 1.057 128 I HN 0.267 nan 8.210 nan 0.000 0.413 129 R N 0.593 121.166 120.500 0.121 0.000 2.159 129 R HA -0.112 4.228 4.340 -0.000 0.000 0.237 129 R C 2.207 178.539 176.300 0.054 0.000 1.131 129 R CA 1.439 57.581 56.100 0.070 0.000 0.982 129 R CB -0.229 30.090 30.300 0.032 0.000 0.868 129 R HN 0.400 nan 8.270 nan 0.000 0.453 130 A N 0.266 123.090 122.820 0.007 0.000 1.956 130 A HA 0.009 4.329 4.320 -0.000 0.000 0.212 130 A C 1.849 179.391 177.584 -0.069 0.000 1.188 130 A CA 0.680 52.696 52.037 -0.035 0.000 0.675 130 A CB 0.252 19.216 19.000 -0.060 0.000 0.845 130 A HN 0.196 nan 8.150 nan 0.000 0.455 131 V N -3.329 116.492 119.914 -0.155 0.000 3.444 131 V HA 0.172 4.292 4.120 -0.000 0.000 0.308 131 V C 1.591 177.677 176.094 -0.013 0.000 1.371 131 V CA 0.408 62.618 62.300 -0.149 0.000 1.141 131 V CB -1.436 30.171 31.823 -0.360 0.000 1.037 131 V HN 0.437 nan 8.190 nan 0.000 0.433 132 Y N 2.499 122.793 120.300 -0.010 0.000 2.193 132 Y HA -0.218 4.332 4.550 -0.000 0.000 0.285 132 Y C 2.086 178.041 175.900 0.092 0.000 1.166 132 Y CA 2.434 60.586 58.100 0.086 0.000 1.181 132 Y CB -0.044 38.457 38.460 0.069 0.000 0.976 132 Y HN 0.402 nan 8.280 nan 0.000 0.520 133 D N -0.613 119.823 120.400 0.059 0.000 2.312 133 D HA -0.096 4.544 4.640 -0.000 0.000 0.211 133 D C 1.823 178.083 176.300 -0.067 0.000 0.964 133 D CA 1.549 55.555 54.000 0.009 0.000 0.877 133 D CB -0.057 40.788 40.800 0.075 0.000 0.924 133 D HN 0.481 nan 8.370 nan 0.000 0.515 134 V N -1.104 118.762 119.914 -0.080 0.000 3.528 134 V HA 0.267 4.387 4.120 -0.000 0.000 0.294 134 V C 0.683 176.704 176.094 -0.122 0.000 1.404 134 V CA -0.460 61.783 62.300 -0.095 0.000 1.065 134 V CB -0.671 31.114 31.823 -0.063 0.000 0.904 134 V HN 0.021 nan 8.190 nan 0.000 0.435 135 I N -1.553 118.933 120.570 -0.140 0.000 3.023 135 I HA 1.085 5.255 4.170 -0.000 0.000 0.312 135 I C 0.169 176.181 176.117 -0.174 0.000 1.056 135 I CA -0.540 60.666 61.300 -0.157 0.000 1.033 135 I CB 1.850 39.755 38.000 -0.159 0.000 1.233 135 I HN 0.242 nan 8.210 nan 0.000 0.462 136 G N 2.038 110.716 108.800 -0.203 0.000 2.350 136 G HA2 0.210 4.170 3.960 -0.000 0.000 0.304 136 G HA3 0.210 4.170 3.960 -0.000 0.000 0.304 136 G C -2.958 171.915 174.900 -0.045 0.000 1.421 136 G CA -0.587 44.421 45.100 -0.152 0.000 0.934 136 G HN 0.373 nan 8.290 nan 0.000 0.632 137 P HA -0.021 nan 4.420 nan 0.000 0.218 137 P C 0.733 178.045 177.300 0.020 0.000 1.146 137 P CA 1.580 64.733 63.100 0.088 0.000 0.813 137 P CB 0.106 31.855 31.700 0.082 0.000 0.778 138 W N -2.470 118.972 121.300 0.237 0.000 2.862 138 W HA 0.193 4.853 4.660 -0.000 0.000 0.376 138 W C 1.417 177.979 176.519 0.072 0.000 1.028 138 W CA 0.112 57.593 57.345 0.226 0.000 1.757 138 W CB -0.115 29.466 29.460 0.201 0.000 1.128 138 W HN -0.192 nan 8.180 nan 0.000 0.566 139 T N -1.338 113.300 114.554 0.140 0.000 3.156 139 T HA 0.040 4.390 4.350 -0.000 0.000 0.236 139 T C -0.415 174.219 174.700 -0.110 0.000 0.978 139 T CA 0.665 62.747 62.100 -0.030 0.000 1.240 139 T CB 0.148 68.969 68.868 -0.079 0.000 0.951 139 T HN -0.229 nan 8.240 nan 0.000 0.420 140 D N 0.077 120.400 120.400 -0.129 0.000 2.548 140 D HA 0.323 4.963 4.640 -0.000 0.000 0.214 140 D C -1.819 174.367 176.300 -0.190 0.000 1.345 140 D CA -0.389 53.515 54.000 -0.160 0.000 0.945 140 D CB 0.568 41.293 40.800 -0.124 0.000 1.499 140 D HN 0.127 nan 8.370 nan 0.000 0.579 141 I N 5.320 125.731 120.570 -0.265 0.000 2.337 141 I HA 0.384 4.554 4.170 -0.000 0.000 0.285 141 I C -2.029 173.960 176.117 -0.213 0.000 1.041 141 I CA -1.768 59.373 61.300 -0.265 0.000 1.199 141 I CB 1.398 39.146 38.000 -0.420 0.000 1.370 141 I HN 0.182 nan 8.210 nan 0.000 0.470 142 P HA 0.501 nan 4.420 nan 0.000 0.296 142 P C -0.616 176.631 177.300 -0.089 0.000 1.295 142 P CA -0.369 62.688 63.100 -0.073 0.000 0.754 142 P CB 0.687 32.393 31.700 0.010 0.000 1.311 143 A N -2.141 120.634 122.820 -0.074 0.000 2.544 143 A HA 0.633 4.953 4.320 -0.000 0.000 0.291 143 A C -3.007 174.514 177.584 -0.106 0.000 1.055 143 A CA -1.027 50.957 52.037 -0.089 0.000 0.651 143 A CB 0.316 19.262 19.000 -0.089 0.000 1.296 143 A HN 0.264 nan 8.150 nan 0.000 0.431 144 P HA 0.688 nan 4.420 nan 0.000 0.276 144 P C -0.671 176.553 177.300 -0.126 0.000 1.261 144 P CA 0.318 63.324 63.100 -0.157 0.000 0.800 144 P CB 1.157 32.759 31.700 -0.164 0.000 1.066 145 D N -1.611 118.706 120.400 -0.140 0.000 3.557 145 D HA 0.169 4.809 4.640 -0.000 0.000 0.331 145 D C -0.923 175.309 176.300 -0.114 0.000 1.442 145 D CA -0.514 53.424 54.000 -0.104 0.000 0.971 145 D CB 0.530 41.288 40.800 -0.069 0.000 1.423 145 D HN -0.031 nan 8.370 nan 0.000 0.604 146 V N 2.702 122.546 119.914 -0.117 0.000 2.703 146 V HA -0.136 3.984 4.120 -0.000 0.000 0.300 146 V C -0.013 176.061 176.094 -0.034 0.000 1.063 146 V CA 1.198 63.390 62.300 -0.180 0.000 1.240 146 V CB -1.018 30.669 31.823 -0.227 0.000 0.845 146 V HN 0.648 nan 8.190 nan 0.000 0.476 147 Y N 2.035 122.311 120.300 -0.040 0.000 4.753 147 Y HA -0.227 4.323 4.550 -0.000 0.000 0.232 147 Y C 1.040 176.815 175.900 -0.208 0.000 1.029 147 Y CA 1.010 59.090 58.100 -0.032 0.000 1.996 147 Y CB -2.432 36.100 38.460 0.121 0.000 1.602 147 Y HN 0.906 nan 8.280 nan 0.000 0.621 148 T N -1.075 113.372 114.554 -0.178 0.000 2.912 148 T HA 0.782 5.132 4.350 -0.000 0.000 0.288 148 T C -0.073 174.468 174.700 -0.265 0.000 1.030 148 T CA -0.232 61.621 62.100 -0.412 0.000 1.020 148 T CB 3.128 71.625 68.868 -0.618 0.000 1.056 148 T HN 0.310 nan 8.240 nan 0.000 0.480 149 N N 0.052 118.575 118.700 -0.296 0.000 2.853 149 N HA 0.523 5.263 4.740 -0.000 0.000 0.258 149 N C -2.757 172.598 175.510 -0.258 0.000 1.444 149 N CA -2.108 50.805 53.050 -0.228 0.000 0.837 149 N CB 0.437 38.805 38.487 -0.199 0.000 1.489 149 N HN 0.181 nan 8.380 nan 0.000 0.529 150 P HA -0.247 nan 4.420 nan 0.000 0.216 150 P C 0.987 178.092 177.300 -0.326 0.000 1.150 150 P CA 1.651 64.612 63.100 -0.233 0.000 0.843 150 P CB 0.244 31.831 31.700 -0.188 0.000 0.787 151 K N -0.139 120.016 120.400 -0.407 0.000 2.063 151 K HA -0.150 4.170 4.320 -0.000 0.000 0.208 151 K C 1.958 177.994 176.600 -0.939 0.000 1.048 151 K CA 1.463 57.348 56.287 -0.671 0.000 0.928 151 K CB -0.565 31.529 32.500 -0.678 0.000 0.713 151 K HN 0.092 nan 8.250 nan 0.000 0.442 152 I N 0.981 121.166 120.570 -0.642 0.000 2.286 152 I HA -0.268 3.902 4.170 -0.000 0.000 0.245 152 I C 2.338 178.352 176.117 -0.171 0.000 1.104 152 I CA 0.634 61.707 61.300 -0.380 0.000 1.397 152 I CB -0.147 37.604 38.000 -0.415 0.000 1.072 152 I HN 0.204 nan 8.210 nan 0.000 0.417 153 M N 0.283 119.755 119.600 -0.213 0.000 2.082 153 M HA -0.184 4.296 4.480 -0.000 0.000 0.258 153 M C 2.448 178.704 176.300 -0.073 0.000 1.069 153 M CA 2.115 57.343 55.300 -0.120 0.000 1.102 153 M CB -2.154 30.359 32.600 -0.146 0.000 1.336 153 M HN 0.349 nan 8.290 nan 0.000 0.404 154 G N -0.746 107.955 108.800 -0.165 0.000 2.418 154 G HA2 -0.210 3.750 3.960 -0.000 0.000 0.217 154 G HA3 -0.210 3.750 3.960 -0.000 0.000 0.217 154 G C 1.244 176.198 174.900 0.090 0.000 1.158 154 G CA 0.483 45.516 45.100 -0.111 0.000 0.771 154 G HN 0.407 nan 8.290 nan 0.000 0.545 155 W N 0.521 121.825 121.300 0.006 0.000 2.363 155 W HA 0.115 4.775 4.660 -0.000 0.000 0.296 155 W C 2.676 179.247 176.519 0.087 0.000 1.212 155 W CA 0.556 57.928 57.345 0.046 0.000 1.260 155 W CB -0.908 28.583 29.460 0.052 0.000 1.131 155 W HN 0.219 nan 8.180 nan 0.000 0.530 156 M N -0.787 119.010 119.600 0.330 0.000 2.098 156 M HA -0.203 4.277 4.480 -0.000 0.000 0.262 156 M C 2.366 178.823 176.300 0.262 0.000 1.072 156 M CA 1.348 56.816 55.300 0.279 0.000 1.133 156 M CB -0.815 31.922 32.600 0.228 0.000 1.344 156 M HN -0.196 nan 8.290 nan 0.000 0.414 157 M N 0.788 120.505 119.600 0.196 0.000 2.108 157 M HA -0.278 4.202 4.480 -0.000 0.000 0.257 157 M C 1.370 177.840 176.300 0.282 0.000 1.071 157 M CA 2.262 57.693 55.300 0.218 0.000 1.093 157 M CB -0.963 31.701 32.600 0.107 0.000 1.345 157 M HN 0.217 nan 8.290 nan 0.000 0.403 158 D N -0.386 120.155 120.400 0.234 0.000 2.117 158 D HA -0.217 4.423 4.640 -0.000 0.000 0.197 158 D C 1.848 178.271 176.300 0.206 0.000 0.987 158 D CA 1.660 55.791 54.000 0.219 0.000 0.829 158 D CB -0.004 40.917 40.800 0.203 0.000 0.961 158 D HN 0.461 nan 8.370 nan 0.000 0.460 159 E N -1.212 119.120 120.200 0.221 0.000 2.106 159 E HA -0.180 4.170 4.350 -0.000 0.000 0.192 159 E C 1.784 178.502 176.600 0.197 0.000 0.984 159 E CA 0.825 57.330 56.400 0.176 0.000 0.806 159 E CB -0.518 29.290 29.700 0.180 0.000 0.750 159 E HN 0.484 nan 8.360 nan 0.000 0.458 160 Y N 1.449 121.865 120.300 0.193 0.000 2.114 160 Y HA -0.181 4.369 4.550 -0.000 0.000 0.284 160 Y C 2.210 178.251 175.900 0.235 0.000 1.143 160 Y CA 2.376 60.636 58.100 0.267 0.000 1.135 160 Y CB -0.288 38.319 38.460 0.245 0.000 0.980 160 Y HN 0.139 nan 8.280 nan 0.000 0.499 161 E N -0.973 119.365 120.200 0.230 0.000 2.160 161 E HA -0.211 4.139 4.350 -0.000 0.000 0.195 161 E C 1.811 178.430 176.600 0.032 0.000 0.991 161 E CA 1.811 58.292 56.400 0.136 0.000 0.810 161 E CB -0.077 29.758 29.700 0.225 0.000 0.742 161 E HN 0.533 nan 8.360 nan 0.000 0.466 162 T N 0.704 115.278 114.554 0.033 0.000 2.857 162 T HA -0.047 4.303 4.350 -0.000 0.000 0.266 162 T C 1.853 176.499 174.700 -0.091 0.000 1.048 162 T CA 0.933 63.026 62.100 -0.011 0.000 1.139 162 T CB -0.025 68.847 68.868 0.007 0.000 0.874 162 T HN 0.181 nan 8.240 nan 0.000 0.455 163 I N 0.592 121.058 120.570 -0.173 0.000 2.584 163 I HA 0.052 4.222 4.170 -0.000 0.000 0.255 163 I C 2.393 178.319 176.117 -0.319 0.000 1.145 163 I CA 0.734 61.823 61.300 -0.352 0.000 1.462 163 I CB -0.244 37.324 38.000 -0.720 0.000 1.102 163 I HN 0.195 nan 8.210 nan 0.000 0.433 164 M N 0.780 120.235 119.600 -0.241 0.000 2.549 164 M HA -0.086 4.394 4.480 -0.000 0.000 0.260 164 M C 0.212 176.478 176.300 -0.056 0.000 1.076 164 M CA 0.976 56.202 55.300 -0.124 0.000 1.090 164 M CB 0.022 32.480 32.600 -0.238 0.000 1.418 164 M HN 0.159 nan 8.290 nan 0.000 0.486 165 R N 1.013 121.476 120.500 -0.061 0.000 3.516 165 R HA -0.205 4.135 4.340 -0.000 0.000 0.271 165 R C -0.175 176.122 176.300 -0.004 0.000 1.098 165 R CA 1.059 57.142 56.100 -0.028 0.000 0.732 165 R CB -3.183 27.102 30.300 -0.025 0.000 1.152 165 R HN 0.641 nan 8.270 nan 0.000 0.455 166 R N -1.031 119.473 120.500 0.006 0.000 3.741 166 R HA -0.236 4.104 4.340 -0.000 0.000 0.292 166 R C 1.048 177.361 176.300 0.022 0.000 1.176 166 R CA 1.456 57.568 56.100 0.020 0.000 0.794 166 R CB -0.596 29.712 30.300 0.013 0.000 1.213 166 R HN 0.220 nan 8.270 nan 0.000 0.494 167 K N -0.198 120.220 120.400 0.030 0.000 2.283 167 K HA 0.035 4.355 4.320 -0.000 0.000 0.202 167 K C 1.322 177.955 176.600 0.056 0.000 1.048 167 K CA 1.519 57.829 56.287 0.039 0.000 0.948 167 K CB 0.240 32.767 32.500 0.045 0.000 0.742 167 K HN 0.484 nan 8.250 nan 0.000 0.458 168 G N 0.855 109.703 108.800 0.079 0.000 2.975 168 G HA2 0.331 4.291 3.960 -0.000 0.000 0.291 168 G HA3 0.331 4.291 3.960 -0.000 0.000 0.291 168 G C -2.788 172.170 174.900 0.095 0.000 1.334 168 G CA -0.828 44.335 45.100 0.104 0.000 0.843 168 G HN -0.184 nan 8.290 nan 0.000 0.548 169 P HA 0.273 nan 4.420 nan 0.000 0.237 169 P C 0.777 178.164 177.300 0.145 0.000 1.788 169 P CA 0.225 63.355 63.100 0.051 0.000 1.061 169 P CB 0.639 32.345 31.700 0.009 0.000 1.967 170 A N 1.841 124.786 122.820 0.208 0.000 2.019 170 A HA -0.178 4.142 4.320 -0.000 0.000 0.219 170 A C 1.627 179.470 177.584 0.432 0.000 1.164 170 A CA 0.900 53.176 52.037 0.398 0.000 0.644 170 A CB -1.180 18.068 19.000 0.414 0.000 0.805 170 A HN 0.213 nan 8.150 nan 0.000 0.449 171 F N 0.410 120.436 119.950 0.126 0.000 2.154 171 F HA -0.123 4.404 4.527 -0.000 0.000 0.301 171 F C 2.443 178.278 175.800 0.059 0.000 1.087 171 F CA 0.752 58.806 58.000 0.090 0.000 1.274 171 F CB -1.204 37.853 39.000 0.094 0.000 1.009 171 F HN 0.298 nan 8.300 nan 0.000 0.485 172 G N -1.255 107.682 108.800 0.229 0.000 2.920 172 G HA2 0.045 4.005 3.960 -0.000 0.000 0.208 172 G HA3 0.045 4.005 3.960 -0.000 0.000 0.208 172 G C 1.677 176.676 174.900 0.164 0.000 1.159 172 G CA 0.582 45.762 45.100 0.133 0.000 0.784 172 G HN 0.309 nan 8.290 nan 0.000 0.535 173 V N -0.211 119.726 119.914 0.038 0.000 2.809 173 V HA 0.381 4.501 4.120 -0.000 0.000 0.256 173 V C 0.655 176.664 176.094 -0.141 0.000 1.080 173 V CA 1.013 63.197 62.300 -0.193 0.000 1.102 173 V CB -0.105 31.297 31.823 -0.702 0.000 0.705 173 V HN 0.281 nan 8.190 nan 0.000 0.475 174 I N -0.225 120.320 120.570 -0.041 0.000 2.680 174 I HA 0.366 4.536 4.170 -0.000 0.000 0.291 174 I C 0.082 176.188 176.117 -0.019 0.000 1.244 174 I CA -0.114 61.158 61.300 -0.046 0.000 1.042 174 I CB 2.210 40.186 38.000 -0.040 0.000 1.277 174 I HN 0.231 nan 8.210 nan 0.000 0.423 175 T N 1.969 116.502 114.554 -0.034 0.000 2.892 175 T HA 0.621 4.971 4.350 -0.000 0.000 0.280 175 T C 0.891 175.552 174.700 -0.064 0.000 1.004 175 T CA 0.020 62.104 62.100 -0.027 0.000 0.950 175 T CB 1.261 70.127 68.868 -0.003 0.000 1.309 175 T HN 1.422 nan 8.240 nan 0.000 0.592 176 G N 0.673 109.435 108.800 -0.064 0.000 2.273 176 G HA2 -0.219 3.741 3.960 -0.000 0.000 0.280 176 G HA3 -0.219 3.741 3.960 -0.000 0.000 0.280 176 G C -0.107 174.724 174.900 -0.115 0.000 1.047 176 G CA 0.340 45.387 45.100 -0.088 0.000 0.869 176 G HN 0.860 nan 8.290 nan 0.000 0.502 177 K N 0.339 120.669 120.400 -0.117 0.000 2.154 177 K HA 0.402 4.722 4.320 -0.000 0.000 0.264 177 K C -2.115 174.383 176.600 -0.170 0.000 1.008 177 K CA -1.892 54.298 56.287 -0.161 0.000 0.937 177 K CB 0.791 33.174 32.500 -0.194 0.000 1.002 177 K HN 0.011 nan 8.250 nan 0.000 0.469 178 P HA -0.084 nan 4.420 nan 0.000 0.266 178 P C 0.361 177.546 177.300 -0.190 0.000 1.186 178 P CA 0.319 63.310 63.100 -0.181 0.000 0.767 178 P CB 0.421 32.006 31.700 -0.191 0.000 0.820 179 L N 1.782 122.909 121.223 -0.160 0.000 2.275 179 L HA -0.177 4.163 4.340 -0.000 0.000 0.215 179 L C 2.248 178.994 176.870 -0.207 0.000 1.119 179 L CA 1.811 56.547 54.840 -0.173 0.000 0.790 179 L CB -0.686 41.295 42.059 -0.131 0.000 0.919 179 L HN 0.461 nan 8.230 nan 0.000 0.443 180 S N 0.435 116.028 115.700 -0.178 0.000 2.453 180 S HA -0.049 4.421 4.470 -0.000 0.000 0.231 180 S C 1.208 175.698 174.600 -0.184 0.000 1.005 180 S CA 0.385 58.493 58.200 -0.154 0.000 0.949 180 S CB -0.348 62.789 63.200 -0.105 0.000 0.774 180 S HN 0.529 nan 8.310 nan 0.000 0.510 181 I N -3.482 116.898 120.570 -0.316 0.000 2.953 181 I HA 0.744 4.914 4.170 -0.000 0.000 0.325 181 I C 0.748 176.237 176.117 -1.046 0.000 1.421 181 I CA -0.333 60.586 61.300 -0.635 0.000 0.845 181 I CB 0.294 37.948 38.000 -0.577 0.000 2.186 181 I HN 0.261 nan 8.210 nan 0.000 0.604 182 G N 1.405 109.864 108.800 -0.569 0.000 2.176 182 G HA2 -0.198 3.762 3.960 -0.000 0.000 0.232 182 G HA3 -0.198 3.762 3.960 -0.000 0.000 0.232 182 G C 0.595 175.454 174.900 -0.068 0.000 0.986 182 G CA -0.310 44.668 45.100 -0.203 0.000 0.643 182 G HN 0.949 nan 8.290 nan 0.000 0.522 183 G N -0.123 108.559 108.800 -0.196 0.000 2.636 183 G HA2 0.506 4.466 3.960 -0.000 0.000 0.246 183 G HA3 0.506 4.466 3.960 -0.000 0.000 0.246 183 G C 0.266 175.136 174.900 -0.049 0.000 1.216 183 G CA 1.019 46.050 45.100 -0.115 0.000 0.854 183 G HN 1.197 nan 8.290 nan 0.000 0.572 184 S N -0.483 115.199 115.700 -0.030 0.000 2.537 184 S HA 0.572 5.042 4.470 -0.000 0.000 0.301 184 S C 0.312 174.902 174.600 -0.018 0.000 1.092 184 S CA -0.847 57.346 58.200 -0.012 0.000 1.048 184 S CB 0.622 63.805 63.200 -0.028 0.000 1.053 184 S HN 0.447 nan 8.310 nan 0.000 0.501 185 L N 3.063 124.288 121.223 0.003 0.000 2.464 185 L HA 0.411 4.751 4.340 -0.000 0.000 0.264 185 L C 1.762 178.652 176.870 0.033 0.000 1.199 185 L CA 0.580 55.426 54.840 0.010 0.000 0.818 185 L CB 0.123 42.200 42.059 0.031 0.000 1.102 185 L HN 1.084 nan 8.230 nan 0.000 0.473 186 G N 0.285 109.092 108.800 0.012 0.000 2.205 186 G HA2 -0.291 3.669 3.960 -0.000 0.000 0.261 186 G HA3 -0.291 3.669 3.960 -0.000 0.000 0.261 186 G C 1.371 176.260 174.900 -0.018 0.000 0.980 186 G CA 0.548 45.659 45.100 0.018 0.000 0.632 186 G HN 0.685 nan 8.290 nan 0.000 0.533 187 R N 0.709 121.189 120.500 -0.032 0.000 2.070 187 R HA -0.062 4.278 4.340 -0.000 0.000 0.232 187 R C 2.881 179.127 176.300 -0.089 0.000 1.138 187 R CA 2.464 58.535 56.100 -0.049 0.000 0.936 187 R CB -1.070 29.198 30.300 -0.054 0.000 0.839 187 R HN 0.516 nan 8.270 nan 0.000 0.429 188 G N -0.543 108.187 108.800 -0.116 0.000 2.450 188 G HA2 -0.250 3.710 3.960 -0.000 0.000 0.220 188 G HA3 -0.250 3.710 3.960 -0.000 0.000 0.220 188 G C 1.200 175.943 174.900 -0.261 0.000 1.130 188 G CA 1.428 46.439 45.100 -0.148 0.000 0.760 188 G HN 0.565 nan 8.290 nan 0.000 0.557 189 T N -2.765 111.573 114.554 -0.361 0.000 3.214 189 T HA 0.654 5.004 4.350 -0.000 0.000 0.264 189 T C 1.961 176.508 174.700 -0.254 0.000 1.012 189 T CA 0.826 62.625 62.100 -0.502 0.000 0.901 189 T CB 0.880 69.292 68.868 -0.760 0.000 1.070 189 T HN 0.221 nan 8.240 nan 0.000 0.561 190 A N 2.014 124.746 122.820 -0.146 0.000 1.873 190 A HA 0.022 4.342 4.320 -0.000 0.000 0.215 190 A C 2.452 180.001 177.584 -0.059 0.000 1.186 190 A CA 1.909 53.907 52.037 -0.065 0.000 0.616 190 A CB -1.347 17.634 19.000 -0.031 0.000 0.823 190 A HN 0.524 nan 8.150 nan 0.000 0.442 191 T N 0.386 114.900 114.554 -0.068 0.000 2.708 191 T HA -0.022 4.328 4.350 -0.000 0.000 0.266 191 T C 2.263 176.918 174.700 -0.075 0.000 1.037 191 T CA 1.705 63.772 62.100 -0.055 0.000 1.146 191 T CB -0.516 68.324 68.868 -0.046 0.000 0.865 191 T HN 0.584 nan 8.240 nan 0.000 0.435 192 A N 1.351 124.114 122.820 -0.095 0.000 1.858 192 A HA -0.181 4.139 4.320 -0.000 0.000 0.216 192 A C 2.296 179.771 177.584 -0.182 0.000 1.190 192 A CA 2.082 54.053 52.037 -0.110 0.000 0.617 192 A CB -0.923 18.035 19.000 -0.069 0.000 0.827 192 A HN 0.443 nan 8.150 nan 0.000 0.443 193 Q N 0.002 119.667 119.800 -0.225 0.000 2.152 193 Q HA -0.089 4.251 4.340 -0.000 0.000 0.206 193 Q C 1.863 177.585 176.000 -0.464 0.000 0.985 193 Q CA 2.355 57.936 55.803 -0.370 0.000 0.863 193 Q CB -0.988 27.597 28.738 -0.255 0.000 0.904 193 Q HN 0.523 nan 8.270 nan 0.000 0.422 194 G N -0.378 108.331 108.800 -0.152 0.000 2.394 194 G HA2 -0.135 3.825 3.960 -0.000 0.000 0.215 194 G HA3 -0.135 3.825 3.960 -0.000 0.000 0.215 194 G C 1.491 176.363 174.900 -0.047 0.000 1.165 194 G CA 0.815 45.923 45.100 0.012 0.000 0.784 194 G HN 0.533 nan 8.290 nan 0.000 0.535 195 A N 1.123 123.885 122.820 -0.097 0.000 1.908 195 A HA -0.048 4.272 4.320 -0.000 0.000 0.218 195 A C 2.325 179.820 177.584 -0.149 0.000 1.181 195 A CA 1.487 53.462 52.037 -0.102 0.000 0.627 195 A CB -0.325 18.620 19.000 -0.093 0.000 0.818 195 A HN 0.279 nan 8.150 nan 0.000 0.445 196 I N -1.182 119.246 120.570 -0.237 0.000 2.226 196 I HA -0.192 3.978 4.170 -0.000 0.000 0.245 196 I C 2.267 178.241 176.117 -0.238 0.000 1.100 196 I CA 1.263 62.396 61.300 -0.279 0.000 1.374 196 I CB -1.609 36.159 38.000 -0.387 0.000 1.057 196 I HN 0.276 nan 8.210 nan 0.000 0.413 197 F N 1.419 121.312 119.950 -0.095 0.000 2.146 197 F HA -0.183 4.344 4.527 -0.000 0.000 0.298 197 F C 2.890 178.562 175.800 -0.215 0.000 1.096 197 F CA 1.703 59.636 58.000 -0.112 0.000 1.275 197 F CB -1.714 37.253 39.000 -0.056 0.000 1.008 197 F HN 0.187 nan 8.300 nan 0.000 0.480 198 T N -1.347 113.177 114.554 -0.049 0.000 2.821 198 T HA -0.171 4.179 4.350 -0.000 0.000 0.267 198 T C 2.120 176.541 174.700 -0.465 0.000 1.046 198 T CA 1.408 63.345 62.100 -0.270 0.000 1.139 198 T CB -0.936 67.868 68.868 -0.107 0.000 0.871 198 T HN 0.258 nan 8.240 nan 0.000 0.454 199 I N 1.065 121.470 120.570 -0.275 0.000 2.179 199 I HA -0.120 4.050 4.170 -0.000 0.000 0.242 199 I C 3.153 179.106 176.117 -0.274 0.000 1.088 199 I CA 1.455 62.603 61.300 -0.254 0.000 1.357 199 I CB -0.394 37.510 38.000 -0.161 0.000 1.051 199 I HN 0.210 nan 8.210 nan 0.000 0.409 200 R N 0.710 121.084 120.500 -0.210 0.000 2.105 200 R HA -0.189 4.151 4.340 -0.000 0.000 0.239 200 R C 2.018 178.168 176.300 -0.249 0.000 1.135 200 R CA 1.441 57.448 56.100 -0.155 0.000 0.967 200 R CB 0.006 30.284 30.300 -0.036 0.000 0.861 200 R HN 0.319 nan 8.270 nan 0.000 0.442 201 E N 0.060 119.969 120.200 -0.486 0.000 2.122 201 E HA -0.043 4.307 4.350 -0.000 0.000 0.190 201 E C 1.866 177.817 176.600 -1.082 0.000 0.977 201 E CA 0.953 56.905 56.400 -0.747 0.000 0.820 201 E CB -0.184 28.850 29.700 -1.111 0.000 0.770 201 E HN 0.405 nan 8.360 nan 0.000 0.462 202 A N 1.786 123.840 122.820 -1.277 0.000 1.908 202 A HA -0.156 4.164 4.320 -0.000 0.000 0.218 202 A C 2.417 179.807 177.584 -0.323 0.000 1.181 202 A CA 2.193 53.778 52.037 -0.755 0.000 0.627 202 A CB -0.593 18.128 19.000 -0.465 0.000 0.818 202 A HN 0.262 nan 8.150 nan 0.000 0.445 203 A N -0.449 122.214 122.820 -0.262 0.000 1.858 203 A HA -0.176 4.144 4.320 -0.000 0.000 0.216 203 A C 2.121 179.674 177.584 -0.052 0.000 1.190 203 A CA 2.016 53.983 52.037 -0.117 0.000 0.617 203 A CB -0.555 18.386 19.000 -0.098 0.000 0.827 203 A HN 0.518 nan 8.150 nan 0.000 0.443 204 K N -0.501 119.876 120.400 -0.038 0.000 2.089 204 K HA -0.208 4.112 4.320 -0.000 0.000 0.210 204 K C 2.141 178.836 176.600 0.159 0.000 1.048 204 K CA 1.450 57.788 56.287 0.086 0.000 0.926 204 K CB -0.329 32.290 32.500 0.197 0.000 0.714 204 K HN 0.441 nan 8.250 nan 0.000 0.448 205 A N 0.214 123.127 122.820 0.154 0.000 1.933 205 A HA -0.124 4.196 4.320 -0.000 0.000 0.218 205 A C 1.753 179.413 177.584 0.128 0.000 1.175 205 A CA 1.224 53.352 52.037 0.153 0.000 0.628 205 A CB -0.233 18.559 19.000 -0.346 0.000 0.814 205 A HN 0.228 nan 8.150 nan 0.000 0.444 206 L N -1.395 119.872 121.223 0.075 0.000 2.567 206 L HA 0.267 4.607 4.340 -0.000 0.000 0.225 206 L C 1.691 178.602 176.870 0.069 0.000 1.119 206 L CA 1.021 55.914 54.840 0.089 0.000 0.871 206 L CB -0.577 41.519 42.059 0.060 0.000 1.036 206 L HN 0.653 nan 8.230 nan 0.000 0.459 207 G N 0.049 108.885 108.800 0.059 0.000 2.136 207 G HA2 -0.274 3.685 3.960 -0.000 0.000 0.242 207 G HA3 -0.274 3.685 3.960 -0.000 0.000 0.242 207 G C 0.356 175.273 174.900 0.028 0.000 0.989 207 G CA 0.144 45.271 45.100 0.045 0.000 0.682 207 G HN 0.298 nan 8.290 nan 0.000 0.522 208 I N 1.059 121.640 120.570 0.019 0.000 2.331 208 I HA 0.316 4.486 4.170 -0.000 0.000 0.292 208 I C 0.141 176.258 176.117 0.001 0.000 0.998 208 I CA -0.700 60.605 61.300 0.007 0.000 1.267 208 I CB 1.346 39.345 38.000 -0.002 0.000 1.386 208 I HN 0.156 nan 8.210 nan 0.000 0.476 209 D N 6.249 126.651 120.400 0.003 0.000 2.317 209 D HA 0.194 4.834 4.640 -0.000 0.000 0.252 209 D C 0.591 176.887 176.300 -0.006 0.000 1.174 209 D CA -0.095 53.905 54.000 0.000 0.000 0.866 209 D CB 1.066 41.868 40.800 0.004 0.000 1.127 209 D HN 0.439 nan 8.370 nan 0.000 0.467 210 L N 2.308 123.524 121.223 -0.012 0.000 2.591 210 L HA 0.130 4.469 4.340 -0.000 0.000 0.228 210 L C 1.401 178.264 176.870 -0.011 0.000 1.133 210 L CA -0.050 54.780 54.840 -0.017 0.000 0.880 210 L CB -0.786 41.255 42.059 -0.030 0.000 1.033 210 L HN 0.435 nan 8.230 nan 0.000 0.450 211 K N 0.899 121.296 120.400 -0.006 0.000 2.402 211 K HA 0.398 4.718 4.320 -0.000 0.000 0.285 211 K C 1.205 177.804 176.600 -0.002 0.000 1.054 211 K CA 0.421 56.706 56.287 -0.004 0.000 1.001 211 K CB -0.493 32.006 32.500 -0.000 0.000 0.946 211 K HN 0.423 nan 8.250 nan 0.000 0.473 212 G N 1.106 109.905 108.800 -0.002 0.000 2.159 212 G HA2 -0.196 3.764 3.960 -0.000 0.000 0.256 212 G HA3 -0.196 3.764 3.960 -0.000 0.000 0.256 212 G C 0.288 175.189 174.900 0.001 0.000 0.977 212 G CA 0.390 45.490 45.100 -0.000 0.000 0.652 212 G HN 0.681 nan 8.290 nan 0.000 0.531 213 K N 0.535 120.934 120.400 -0.001 0.000 2.098 213 K HA 0.505 4.825 4.320 -0.000 0.000 0.257 213 K C 0.617 177.219 176.600 0.003 0.000 0.999 213 K CA -0.357 55.930 56.287 0.001 0.000 0.924 213 K CB 0.823 33.322 32.500 -0.003 0.000 1.028 213 K HN 0.340 nan 8.250 nan 0.000 0.466 214 K N 1.220 121.626 120.400 0.010 0.000 2.172 214 K HA 0.418 4.738 4.320 -0.000 0.000 0.276 214 K C -0.070 176.538 176.600 0.013 0.000 1.013 214 K CA -0.477 55.820 56.287 0.018 0.000 0.913 214 K CB 1.205 33.727 32.500 0.035 0.000 1.055 214 K HN 0.492 nan 8.250 nan 0.000 0.461 215 I N 1.123 121.702 120.570 0.014 0.000 2.569 215 I HA 0.500 4.669 4.170 -0.000 0.000 0.296 215 I C -1.293 174.838 176.117 0.024 0.000 1.028 215 I CA -0.548 60.758 61.300 0.010 0.000 1.082 215 I CB 1.599 39.597 38.000 -0.003 0.000 1.264 215 I HN 0.759 nan 8.210 nan 0.000 0.429 216 A N 6.486 129.319 122.820 0.022 0.000 2.356 216 A HA 0.840 5.160 4.320 -0.000 0.000 0.323 216 A C -1.528 176.073 177.584 0.028 0.000 1.119 216 A CA -0.514 51.542 52.037 0.030 0.000 0.790 216 A CB 1.842 20.859 19.000 0.028 0.000 1.273 216 A HN 0.481 nan 8.150 nan 0.000 0.452 217 V N 2.214 122.155 119.914 0.044 0.000 2.524 217 V HA 0.328 4.448 4.120 -0.000 0.000 0.297 217 V C -0.255 175.883 176.094 0.073 0.000 1.035 217 V CA -0.460 61.876 62.300 0.060 0.000 0.867 217 V CB 1.472 33.353 31.823 0.096 0.000 1.004 217 V HN 0.997 nan 8.190 nan 0.000 0.426 218 Q N 3.376 123.208 119.800 0.052 0.000 2.267 218 Q HA 0.610 4.950 4.340 -0.000 0.000 0.255 218 Q C 0.248 176.292 176.000 0.073 0.000 0.923 218 Q CA 0.669 56.503 55.803 0.052 0.000 0.925 218 Q CB 1.507 30.262 28.738 0.028 0.000 1.195 218 Q HN 1.293 nan 8.270 nan 0.000 0.417 219 G N 2.584 111.443 108.800 0.097 0.000 2.719 219 G HA2 -0.270 3.690 3.960 -0.000 0.000 0.686 219 G HA3 -0.270 3.690 3.960 -0.000 0.000 0.686 219 G C -1.259 173.778 174.900 0.229 0.000 1.201 219 G CA -0.335 44.836 45.100 0.118 0.000 0.768 219 G HN 0.664 nan 8.290 nan 0.000 0.629 220 Y N 1.670 121.979 120.300 0.015 0.000 2.750 220 Y HA 0.475 5.025 4.550 -0.000 0.000 0.247 220 Y C 1.454 177.369 175.900 0.025 0.000 1.098 220 Y CA 0.374 58.487 58.100 0.021 0.000 1.120 220 Y CB 0.174 38.633 38.460 -0.002 0.000 1.210 220 Y HN 1.080 nan 8.280 nan 0.000 0.601 221 G N 0.334 109.138 108.800 0.007 0.000 2.529 221 G HA2 -0.140 3.820 3.960 -0.000 0.000 0.277 221 G HA3 -0.140 3.820 3.960 -0.000 0.000 0.277 221 G C 1.198 176.062 174.900 -0.059 0.000 1.383 221 G CA 0.221 45.306 45.100 -0.025 0.000 1.050 221 G HN 0.380 nan 8.290 nan 0.000 0.526 222 N N -0.251 118.459 118.700 0.017 0.000 2.060 222 N HA -0.230 4.510 4.740 -0.000 0.000 0.195 222 N C 2.375 177.940 175.510 0.090 0.000 1.028 222 N CA 1.956 55.076 53.050 0.116 0.000 0.861 222 N CB -0.341 38.229 38.487 0.138 0.000 1.029 222 N HN 0.454 nan 8.380 nan 0.000 0.428 223 A N 0.272 123.107 122.820 0.025 0.000 1.855 223 A HA 0.034 4.354 4.320 -0.000 0.000 0.215 223 A C 2.433 179.995 177.584 -0.035 0.000 1.191 223 A CA 1.941 53.978 52.037 0.001 0.000 0.613 223 A CB -1.403 17.590 19.000 -0.012 0.000 0.829 223 A HN 0.472 nan 8.150 nan 0.000 0.442 224 G N -1.447 107.324 108.800 -0.049 0.000 2.421 224 G HA2 -0.288 3.672 3.960 -0.000 0.000 0.216 224 G HA3 -0.288 3.672 3.960 -0.000 0.000 0.216 224 G C 1.556 176.348 174.900 -0.181 0.000 1.171 224 G CA 1.400 46.472 45.100 -0.047 0.000 0.775 224 G HN 0.552 nan 8.290 nan 0.000 0.543 225 Y N 0.906 120.837 120.300 -0.615 0.000 2.053 225 Y HA -0.211 4.339 4.550 -0.000 0.000 0.277 225 Y C 2.527 178.134 175.900 -0.489 0.000 1.159 225 Y CA 1.344 58.901 58.100 -0.904 0.000 1.125 225 Y CB -0.966 36.923 38.460 -0.951 0.000 0.969 225 Y HN 0.268 nan 8.280 nan 0.000 0.492 226 Y N 0.474 120.386 120.300 -0.646 0.000 2.352 226 Y HA -0.160 4.390 4.550 -0.000 0.000 0.292 226 Y C 2.679 178.370 175.900 -0.348 0.000 1.136 226 Y CA 1.853 59.581 58.100 -0.620 0.000 1.227 226 Y CB -0.915 37.282 38.460 -0.438 0.000 0.991 226 Y HN 0.156 nan 8.280 nan 0.000 0.545 227 T N -0.377 114.112 114.554 -0.108 0.000 2.737 227 T HA -0.206 4.144 4.350 -0.000 0.000 0.265 227 T C 2.270 176.926 174.700 -0.073 0.000 1.038 227 T CA 1.340 63.390 62.100 -0.084 0.000 1.144 227 T CB -0.642 68.192 68.868 -0.057 0.000 0.866 227 T HN 0.410 nan 8.240 nan 0.000 0.434 228 A N 1.772 124.565 122.820 -0.046 0.000 1.858 228 A HA -0.148 4.172 4.320 -0.000 0.000 0.216 228 A C 2.226 179.794 177.584 -0.027 0.000 1.190 228 A CA 2.152 54.197 52.037 0.013 0.000 0.617 228 A CB -0.643 18.449 19.000 0.153 0.000 0.827 228 A HN 0.495 nan 8.150 nan 0.000 0.443 229 K N -0.362 119.976 120.400 -0.103 0.000 2.063 229 K HA -0.100 4.220 4.320 -0.000 0.000 0.208 229 K C 1.811 178.364 176.600 -0.078 0.000 1.048 229 K CA 1.693 57.911 56.287 -0.115 0.000 0.928 229 K CB -0.316 31.982 32.500 -0.337 0.000 0.713 229 K HN 0.490 nan 8.250 nan 0.000 0.442 230 L N -0.065 121.104 121.223 -0.091 0.000 2.179 230 L HA 0.008 4.348 4.340 -0.000 0.000 0.208 230 L C 2.562 179.385 176.870 -0.078 0.000 1.096 230 L CA 0.691 55.482 54.840 -0.083 0.000 0.779 230 L CB -0.435 41.551 42.059 -0.120 0.000 0.922 230 L HN 0.256 nan 8.230 nan 0.000 0.443 231 A N 0.309 123.086 122.820 -0.072 0.000 1.902 231 A HA -0.224 4.096 4.320 -0.000 0.000 0.217 231 A C 2.414 179.975 177.584 -0.037 0.000 1.181 231 A CA 1.712 53.713 52.037 -0.059 0.000 0.623 231 A CB -0.328 18.644 19.000 -0.048 0.000 0.818 231 A HN 0.270 nan 8.150 nan 0.000 0.443 232 K N -0.380 120.004 120.400 -0.026 0.000 1.973 232 K HA -0.165 4.155 4.320 -0.000 0.000 0.210 232 K C 2.060 178.652 176.600 -0.013 0.000 1.045 232 K CA 1.709 57.988 56.287 -0.013 0.000 0.937 232 K CB -0.232 32.266 32.500 -0.002 0.000 0.721 232 K HN 0.589 nan 8.250 nan 0.000 0.438 233 E N 0.140 120.332 120.200 -0.015 0.000 2.031 233 E HA -0.219 4.131 4.350 -0.000 0.000 0.193 233 E C 2.336 178.930 176.600 -0.011 0.000 0.994 233 E CA 1.499 57.894 56.400 -0.008 0.000 0.800 233 E CB 0.081 29.777 29.700 -0.006 0.000 0.752 233 E HN 0.368 nan 8.360 nan 0.000 0.447 234 Q N -0.072 119.713 119.800 -0.026 0.000 2.061 234 Q HA 0.016 4.356 4.340 -0.000 0.000 0.195 234 Q C 2.266 178.256 176.000 -0.017 0.000 0.967 234 Q CA 0.742 56.531 55.803 -0.023 0.000 0.829 234 Q CB 0.163 28.870 28.738 -0.053 0.000 0.900 234 Q HN 0.277 nan 8.270 nan 0.000 0.450 235 L N -0.465 120.739 121.223 -0.031 0.000 2.509 235 L HA 0.162 4.502 4.340 -0.000 0.000 0.222 235 L C 0.914 177.774 176.870 -0.017 0.000 1.123 235 L CA 0.346 55.170 54.840 -0.027 0.000 0.856 235 L CB -0.044 41.988 42.059 -0.045 0.000 0.985 235 L HN 0.414 nan 8.230 nan 0.000 0.456 236 G N 1.040 109.832 108.800 -0.013 0.000 2.273 236 G HA2 -0.293 3.667 3.960 -0.000 0.000 0.280 236 G HA3 -0.293 3.667 3.960 -0.000 0.000 0.280 236 G C 0.151 175.046 174.900 -0.008 0.000 1.047 236 G CA 0.137 45.233 45.100 -0.007 0.000 0.869 236 G HN 0.223 nan 8.290 nan 0.000 0.502 237 M N -0.059 119.534 119.600 -0.012 0.000 2.368 237 M HA 0.378 4.858 4.480 -0.000 0.000 0.311 237 M C 0.568 176.865 176.300 -0.005 0.000 1.168 237 M CA -0.199 55.095 55.300 -0.010 0.000 1.044 237 M CB 1.199 33.790 32.600 -0.015 0.000 1.506 237 M HN 0.084 nan 8.290 nan 0.000 0.475 238 T N 1.719 116.272 114.554 -0.002 0.000 2.728 238 T HA 0.278 4.628 4.350 -0.000 0.000 0.296 238 T C -0.071 174.631 174.700 0.003 0.000 0.940 238 T CA -0.546 61.553 62.100 -0.001 0.000 1.013 238 T CB 0.206 69.074 68.868 -0.001 0.000 0.912 238 T HN 0.360 nan 8.240 nan 0.000 0.484 239 V N 5.751 125.665 119.914 0.001 0.000 2.341 239 V HA 0.013 4.133 4.120 -0.000 0.000 0.248 239 V C 1.671 177.765 176.094 -0.000 0.000 1.107 239 V CA -0.037 62.266 62.300 0.006 0.000 1.069 239 V CB -0.278 31.549 31.823 0.007 0.000 1.177 239 V HN 0.910 nan 8.190 nan 0.000 0.492 240 V N 1.729 121.658 119.914 0.026 0.000 3.380 240 V HA 0.545 4.665 4.120 -0.000 0.000 0.268 240 V C 0.790 176.945 176.094 0.102 0.000 1.168 240 V CA 0.919 63.246 62.300 0.044 0.000 1.156 240 V CB -0.593 31.308 31.823 0.131 0.000 0.785 240 V HN 0.898 nan 8.190 nan 0.000 0.487 241 A N -0.126 122.737 122.820 0.071 0.000 2.573 241 A HA 0.702 5.022 4.320 -0.000 0.000 0.299 241 A C -0.862 176.723 177.584 0.002 0.000 1.060 241 A CA 0.075 52.150 52.037 0.062 0.000 0.736 241 A CB 1.342 20.431 19.000 0.150 0.000 1.280 241 A HN 1.483 nan 8.150 nan 0.000 0.401 242 V N -0.485 119.383 119.914 -0.075 0.000 3.158 242 V HA 1.047 5.167 4.120 -0.000 0.000 0.311 242 V C -0.246 175.777 176.094 -0.119 0.000 1.181 242 V CA -0.167 62.074 62.300 -0.099 0.000 1.054 242 V CB 1.779 33.424 31.823 -0.297 0.000 1.085 242 V HN 2.283 nan 8.190 nan 0.000 0.446 243 S N -0.784 114.882 115.700 -0.057 0.000 2.533 243 S HA 0.782 5.252 4.470 -0.000 0.000 0.271 243 S C -0.599 174.023 174.600 0.038 0.000 1.143 243 S CA 0.062 58.247 58.200 -0.025 0.000 0.891 243 S CB 0.908 64.112 63.200 0.006 0.000 1.105 243 S HN 1.772 nan 8.310 nan 0.000 0.468 244 D N 1.325 121.745 120.400 0.032 0.000 2.507 244 D HA 0.642 5.282 4.640 -0.000 0.000 0.280 244 D C 1.578 177.910 176.300 0.055 0.000 1.219 244 D CA -0.062 53.980 54.000 0.070 0.000 1.085 244 D CB 0.042 40.883 40.800 0.069 0.000 1.134 244 D HN 1.010 nan 8.370 nan 0.000 0.583 245 S N -1.686 114.047 115.700 0.054 0.000 2.387 245 S HA -0.123 4.347 4.470 -0.000 0.000 0.226 245 S C 2.033 176.656 174.600 0.038 0.000 1.026 245 S CA 1.238 59.463 58.200 0.042 0.000 0.972 245 S CB -0.247 62.977 63.200 0.041 0.000 0.814 245 S HN 0.535 nan 8.310 nan 0.000 0.477 246 R N 1.873 122.399 120.500 0.044 0.000 2.094 246 R HA 0.120 4.460 4.340 -0.000 0.000 0.239 246 R C 1.189 177.510 176.300 0.036 0.000 1.137 246 R CA 1.463 57.589 56.100 0.043 0.000 0.943 246 R CB -0.495 29.838 30.300 0.054 0.000 0.850 246 R HN 0.619 nan 8.270 nan 0.000 0.433 247 G N -3.107 105.714 108.800 0.034 0.000 2.317 247 G HA2 0.349 4.309 3.960 -0.000 0.000 0.293 247 G HA3 0.349 4.309 3.960 -0.000 0.000 0.293 247 G C -1.170 173.739 174.900 0.015 0.000 1.287 247 G CA -0.581 44.534 45.100 0.024 0.000 0.850 247 G HN 0.394 nan 8.290 nan 0.000 0.515 248 G N -1.168 107.637 108.800 0.008 0.000 2.552 248 G HA2 0.860 4.820 3.960 -0.000 0.000 0.318 248 G HA3 0.860 4.820 3.960 -0.000 0.000 0.318 248 G C -0.329 174.571 174.900 0.001 0.000 1.240 248 G CA -0.183 44.915 45.100 -0.005 0.000 1.002 248 G HN 1.613 nan 8.290 nan 0.000 0.493 249 I N -2.916 117.649 120.570 -0.009 0.000 2.802 249 I HA 0.793 4.963 4.170 -0.000 0.000 0.298 249 I C -1.798 174.367 176.117 0.080 0.000 1.176 249 I CA -1.314 59.996 61.300 0.017 0.000 1.025 249 I CB 2.672 40.649 38.000 -0.038 0.000 1.243 249 I HN 0.511 nan 8.210 nan 0.000 0.424 250 Y N 4.305 124.581 120.300 -0.041 0.000 2.524 250 Y HA 0.702 5.252 4.550 -0.000 0.000 0.347 250 Y C -1.733 174.154 175.900 -0.021 0.000 1.005 250 Y CA -1.049 57.031 58.100 -0.033 0.000 1.025 250 Y CB 2.040 40.483 38.460 -0.028 0.000 1.275 250 Y HN 0.851 nan 8.280 nan 0.000 0.460 251 N N 6.473 124.646 118.700 -0.878 0.000 2.839 251 N HA 0.219 4.959 4.740 -0.000 0.000 0.258 251 N C -2.843 172.265 175.510 -0.670 0.000 1.150 251 N CA -1.472 51.121 53.050 -0.761 0.000 0.957 251 N CB 2.444 40.755 38.487 -0.293 0.000 1.560 251 N HN 0.439 nan 8.380 nan 0.000 0.588 252 P HA 0.021 nan 4.420 nan 0.000 0.230 252 P C 0.010 177.231 177.300 -0.131 0.000 1.158 252 P CA 0.908 63.857 63.100 -0.253 0.000 0.769 252 P CB 0.582 32.220 31.700 -0.103 0.000 0.807 253 D N -0.362 119.946 120.400 -0.154 0.000 2.327 253 D HA 0.200 4.840 4.640 -0.000 0.000 0.205 253 D C 1.231 177.493 176.300 -0.064 0.000 0.989 253 D CA 0.896 54.844 54.000 -0.087 0.000 0.873 253 D CB 0.447 41.197 40.800 -0.084 0.000 0.955 253 D HN 0.212 nan 8.370 nan 0.000 0.515 254 G N 0.450 109.203 108.800 -0.079 0.000 2.521 254 G HA2 0.075 4.035 3.960 -0.000 0.000 0.589 254 G HA3 0.075 4.035 3.960 -0.000 0.000 0.589 254 G C -1.273 173.611 174.900 -0.027 0.000 1.501 254 G CA -0.945 44.129 45.100 -0.043 0.000 0.887 254 G HN 0.047 nan 8.290 nan 0.000 0.654 255 L N 0.916 122.120 121.223 -0.032 0.000 2.334 255 L HA 0.601 4.941 4.340 -0.000 0.000 0.275 255 L C 0.031 176.883 176.870 -0.031 0.000 1.036 255 L CA -0.925 53.891 54.840 -0.041 0.000 0.807 255 L CB 1.919 43.879 42.059 -0.164 0.000 1.231 255 L HN 0.693 nan 8.230 nan 0.000 0.438 256 D N 2.459 122.851 120.400 -0.013 0.000 2.317 256 D HA 0.257 4.897 4.640 -0.000 0.000 0.234 256 D C -1.883 174.410 176.300 -0.011 0.000 1.112 256 D CA -1.633 52.376 54.000 0.015 0.000 0.840 256 D CB 1.806 42.646 40.800 0.067 0.000 1.078 256 D HN 0.154 nan 8.370 nan 0.000 0.486 257 P HA -0.115 nan 4.420 nan 0.000 0.216 257 P C 0.561 177.983 177.300 0.203 0.000 1.150 257 P CA 0.841 64.057 63.100 0.194 0.000 0.837 257 P CB 0.255 32.092 31.700 0.228 0.000 0.786 258 D N -0.492 120.003 120.400 0.158 0.000 2.117 258 D HA -0.147 4.493 4.640 -0.000 0.000 0.198 258 D C 1.876 178.202 176.300 0.044 0.000 0.982 258 D CA 1.108 55.163 54.000 0.092 0.000 0.828 258 D CB -0.318 40.546 40.800 0.106 0.000 0.967 258 D HN 0.312 nan 8.370 nan 0.000 0.464 259 E N 0.363 120.605 120.200 0.069 0.000 2.051 259 E HA -0.120 4.230 4.350 -0.000 0.000 0.192 259 E C 2.363 179.012 176.600 0.082 0.000 0.991 259 E CA 0.643 57.130 56.400 0.146 0.000 0.799 259 E CB 0.137 29.991 29.700 0.258 0.000 0.748 259 E HN 0.022 nan 8.360 nan 0.000 0.449 260 V N 1.324 121.085 119.914 -0.253 0.000 2.332 260 V HA -0.264 3.856 4.120 -0.000 0.000 0.248 260 V C 2.324 178.391 176.094 -0.044 0.000 1.055 260 V CA 1.560 63.569 62.300 -0.484 0.000 1.038 260 V CB -0.498 30.887 31.823 -0.730 0.000 0.651 260 V HN 0.256 nan 8.190 nan 0.000 0.450 261 L N 0.366 121.606 121.223 0.028 0.000 2.056 261 L HA -0.144 4.196 4.340 -0.000 0.000 0.207 261 L C 2.455 179.319 176.870 -0.010 0.000 1.078 261 L CA 2.233 57.054 54.840 -0.030 0.000 0.749 261 L CB -0.790 40.983 42.059 -0.477 0.000 0.901 261 L HN 0.275 nan 8.230 nan 0.000 0.433 262 K N -0.879 119.537 120.400 0.026 0.000 2.001 262 K HA -0.293 4.027 4.320 -0.000 0.000 0.214 262 K C 2.181 178.864 176.600 0.138 0.000 1.050 262 K CA 2.262 58.589 56.287 0.068 0.000 0.934 262 K CB -0.759 31.808 32.500 0.111 0.000 0.718 262 K HN 0.625 nan 8.250 nan 0.000 0.443 263 W N 2.230 123.599 121.300 0.114 0.000 2.317 263 W HA -0.285 4.375 4.660 -0.000 0.000 0.318 263 W C 1.840 178.501 176.519 0.236 0.000 1.227 263 W CA 2.144 59.639 57.345 0.249 0.000 1.269 263 W CB -0.395 29.271 29.460 0.343 0.000 1.155 263 W HN 0.163 nan 8.180 nan 0.000 0.484 264 K N 0.589 121.151 120.400 0.271 0.000 2.152 264 K HA -0.229 4.091 4.320 -0.000 0.000 0.206 264 K C 2.291 178.893 176.600 0.004 0.000 1.048 264 K CA 1.630 58.004 56.287 0.145 0.000 0.933 264 K CB -0.210 32.385 32.500 0.160 0.000 0.721 264 K HN 0.053 nan 8.250 nan 0.000 0.447 265 R N 0.038 120.522 120.500 -0.027 0.000 2.073 265 R HA -0.096 4.244 4.340 -0.000 0.000 0.229 265 R C 2.570 178.768 176.300 -0.170 0.000 1.120 265 R CA 1.799 57.851 56.100 -0.080 0.000 0.967 265 R CB -0.190 30.067 30.300 -0.071 0.000 0.862 265 R HN 0.380 nan 8.270 nan 0.000 0.436 266 E N -0.233 119.804 120.200 -0.273 0.000 2.347 266 E HA -0.141 4.209 4.350 -0.000 0.000 0.196 266 E C 1.116 177.216 176.600 -0.833 0.000 1.008 266 E CA 1.546 57.639 56.400 -0.512 0.000 0.852 266 E CB -0.431 28.923 29.700 -0.576 0.000 0.783 266 E HN 0.639 nan 8.360 nan 0.000 0.505 267 H N -3.175 115.673 119.070 -0.370 0.000 3.046 267 H HA 0.438 4.994 4.556 -0.000 0.000 0.262 267 H C 1.842 177.069 175.328 -0.169 0.000 1.044 267 H CA 0.462 56.307 56.048 -0.340 0.000 1.209 267 H CB 1.787 31.211 29.762 -0.563 0.000 1.507 267 H HN 0.506 nan 8.280 nan 0.000 0.507 268 G N 0.260 109.022 108.800 -0.063 0.000 2.299 268 G HA2 -0.308 3.652 3.960 -0.000 0.000 0.237 268 G HA3 -0.308 3.652 3.960 -0.000 0.000 0.237 268 G C 0.538 175.465 174.900 0.044 0.000 1.027 268 G CA 0.478 45.574 45.100 -0.007 0.000 0.619 268 G HN 0.543 nan 8.290 nan 0.000 0.513 269 S N -1.374 114.377 115.700 0.085 0.000 2.595 269 S HA 0.589 5.059 4.470 -0.000 0.000 0.281 269 S C 1.365 176.117 174.600 0.253 0.000 1.117 269 S CA 0.541 58.821 58.200 0.134 0.000 0.873 269 S CB 1.869 65.141 63.200 0.120 0.000 1.108 269 S HN 1.533 nan 8.310 nan 0.000 0.477 270 V N 0.068 120.112 119.914 0.217 0.000 3.141 270 V HA 0.326 4.446 4.120 -0.000 0.000 0.265 270 V C 1.058 177.318 176.094 0.277 0.000 1.126 270 V CA 1.091 63.540 62.300 0.250 0.000 1.141 270 V CB -2.023 29.760 31.823 -0.067 0.000 0.743 270 V HN 0.922 nan 8.190 nan 0.000 0.492 271 K N 0.887 121.437 120.400 0.249 0.000 2.472 271 K HA 0.111 4.431 4.320 -0.000 0.000 0.280 271 K C 0.687 177.443 176.600 0.261 0.000 1.028 271 K CA 0.814 57.211 56.287 0.184 0.000 1.045 271 K CB -1.084 31.497 32.500 0.134 0.000 0.902 271 K HN 0.700 nan 8.250 nan 0.000 0.478 272 D N -0.458 119.985 120.400 0.071 0.000 3.110 272 D HA -0.157 4.483 4.640 -0.000 0.000 0.214 272 D C -0.341 175.671 176.300 -0.481 0.000 1.112 272 D CA 0.734 54.710 54.000 -0.039 0.000 0.927 272 D CB -1.672 39.202 40.800 0.124 0.000 1.095 272 D HN 0.706 nan 8.370 nan 0.000 0.429 273 F N 2.048 121.465 119.950 -0.889 0.000 2.569 273 F HA 0.174 4.701 4.527 -0.000 0.000 0.395 273 F C -1.713 173.570 175.800 -0.862 0.000 1.028 273 F CA -1.082 56.040 58.000 -1.464 0.000 1.158 273 F CB 0.370 38.818 39.000 -0.920 0.000 1.023 273 F HN -0.233 nan 8.300 nan 0.000 0.547 274 P HA 0.026 nan 4.420 nan 0.000 0.255 274 P C 0.630 177.437 177.300 -0.822 0.000 1.151 274 P CA 2.016 64.529 63.100 -0.979 0.000 0.767 274 P CB -0.040 31.131 31.700 -0.881 0.000 0.736 275 G N 2.326 110.854 108.800 -0.453 0.000 2.299 275 G HA2 -0.234 3.726 3.960 -0.000 0.000 0.237 275 G HA3 -0.234 3.726 3.960 -0.000 0.000 0.237 275 G C 0.461 175.231 174.900 -0.216 0.000 1.027 275 G CA 0.028 44.951 45.100 -0.295 0.000 0.619 275 G HN 0.863 nan 8.290 nan 0.000 0.513 276 A N 0.616 123.313 122.820 -0.205 0.000 2.371 276 A HA 0.667 4.987 4.320 -0.000 0.000 0.257 276 A C 0.627 178.162 177.584 -0.082 0.000 1.089 276 A CA 1.087 53.072 52.037 -0.086 0.000 0.794 276 A CB 0.374 19.414 19.000 0.067 0.000 1.029 276 A HN 0.877 nan 8.150 nan 0.000 0.488 277 T N 2.688 117.227 114.554 -0.024 0.000 2.806 277 T HA 0.238 4.587 4.350 -0.000 0.000 0.290 277 T C 0.011 174.747 174.700 0.060 0.000 0.966 277 T CA -0.516 61.604 62.100 0.034 0.000 1.060 277 T CB 0.255 69.195 68.868 0.120 0.000 0.927 277 T HN 0.589 nan 8.240 nan 0.000 0.485 278 N N 3.479 122.196 118.700 0.029 0.000 2.434 278 N HA 0.226 4.966 4.740 -0.000 0.000 0.268 278 N C 0.117 175.650 175.510 0.038 0.000 1.256 278 N CA -0.095 52.973 53.050 0.031 0.000 0.914 278 N CB -0.086 38.414 38.487 0.021 0.000 1.088 278 N HN 0.674 nan 8.380 nan 0.000 0.478 279 I N -2.085 118.508 120.570 0.038 0.000 3.023 279 I HA 0.638 4.808 4.170 -0.000 0.000 0.312 279 I C 0.653 176.772 176.117 0.002 0.000 1.056 279 I CA -1.062 60.245 61.300 0.011 0.000 1.033 279 I CB 1.755 39.746 38.000 -0.014 0.000 1.233 279 I HN 0.290 nan 8.210 nan 0.000 0.462 280 T N -0.516 114.033 114.554 -0.010 0.000 2.816 280 T HA 0.272 4.622 4.350 -0.000 0.000 0.282 280 T C 0.572 175.267 174.700 -0.008 0.000 0.993 280 T CA -0.172 61.925 62.100 -0.005 0.000 0.994 280 T CB 0.950 69.814 68.868 -0.007 0.000 1.025 280 T HN 0.746 nan 8.240 nan 0.000 0.529 281 N N 0.158 118.858 118.700 -0.001 0.000 2.166 281 N HA -0.083 4.657 4.740 -0.000 0.000 0.186 281 N C 1.790 177.296 175.510 -0.008 0.000 1.019 281 N CA 1.125 54.175 53.050 -0.000 0.000 0.856 281 N CB -0.227 38.265 38.487 0.008 0.000 0.993 281 N HN 0.831 nan 8.380 nan 0.000 0.426 282 E N 1.262 121.456 120.200 -0.010 0.000 2.153 282 E HA -0.150 4.200 4.350 -0.000 0.000 0.194 282 E C 1.269 177.852 176.600 -0.028 0.000 0.988 282 E CA 1.279 57.670 56.400 -0.015 0.000 0.811 282 E CB -0.011 29.682 29.700 -0.011 0.000 0.746 282 E HN 0.418 nan 8.360 nan 0.000 0.466 283 E N -0.083 120.095 120.200 -0.036 0.000 2.152 283 E HA -0.102 4.248 4.350 -0.000 0.000 0.192 283 E C 2.160 178.714 176.600 -0.078 0.000 0.983 283 E CA 0.734 57.096 56.400 -0.064 0.000 0.818 283 E CB -0.145 29.510 29.700 -0.074 0.000 0.758 283 E HN 0.315 nan 8.360 nan 0.000 0.467 284 L N 0.954 122.147 121.223 -0.051 0.000 2.017 284 L HA -0.192 4.148 4.340 -0.000 0.000 0.208 284 L C 2.193 179.043 176.870 -0.034 0.000 1.073 284 L CA 1.125 55.941 54.840 -0.041 0.000 0.745 284 L CB -0.071 41.980 42.059 -0.012 0.000 0.894 284 L HN 0.150 nan 8.230 nan 0.000 0.432 285 L N 0.252 121.460 121.223 -0.024 0.000 2.083 285 L HA -0.199 4.141 4.340 -0.000 0.000 0.209 285 L C 2.882 179.738 176.870 -0.024 0.000 1.083 285 L CA 1.665 56.495 54.840 -0.017 0.000 0.752 285 L CB -1.001 41.051 42.059 -0.011 0.000 0.899 285 L HN 0.436 nan 8.230 nan 0.000 0.433 286 E N 0.412 120.591 120.200 -0.036 0.000 2.502 286 E HA 0.126 4.476 4.350 -0.000 0.000 0.194 286 E C 0.893 177.461 176.600 -0.052 0.000 1.062 286 E CA -0.048 56.329 56.400 -0.038 0.000 0.867 286 E CB -0.592 29.083 29.700 -0.041 0.000 0.888 286 E HN 0.397 nan 8.360 nan 0.000 0.510 287 L N 1.353 122.538 121.223 -0.063 0.000 2.525 287 L HA 0.047 4.387 4.340 -0.000 0.000 0.278 287 L C 0.967 177.814 176.870 -0.039 0.000 1.218 287 L CA 0.135 54.929 54.840 -0.076 0.000 0.878 287 L CB 0.931 42.947 42.059 -0.072 0.000 1.127 287 L HN 0.362 nan 8.230 nan 0.000 0.492 288 E N 3.717 123.896 120.200 -0.035 0.000 1.775 288 E HA 0.188 4.538 4.350 -0.000 0.000 0.266 288 E C -0.676 175.927 176.600 0.004 0.000 1.191 288 E CA -0.394 55.999 56.400 -0.012 0.000 1.048 288 E CB 0.217 29.911 29.700 -0.009 0.000 1.081 288 E HN 0.409 nan 8.360 nan 0.000 0.434 289 V N 0.313 120.229 119.914 0.004 0.000 3.204 289 V HA 0.388 4.508 4.120 -0.000 0.000 0.316 289 V C 0.397 176.494 176.094 0.006 0.000 1.160 289 V CA -0.703 61.604 62.300 0.011 0.000 1.044 289 V CB 1.768 33.598 31.823 0.013 0.000 1.136 289 V HN 0.209 nan 8.190 nan 0.000 0.455 290 D N -0.313 120.089 120.400 0.003 0.000 2.277 290 D HA 0.227 4.867 4.640 -0.000 0.000 0.209 290 D C 0.177 176.469 176.300 -0.012 0.000 0.970 290 D CA 1.099 55.097 54.000 -0.004 0.000 0.874 290 D CB 0.505 41.302 40.800 -0.006 0.000 0.982 290 D HN 0.395 nan 8.370 nan 0.000 0.504 291 V N 1.688 121.594 119.914 -0.013 0.000 2.569 291 V HA 0.293 4.413 4.120 -0.000 0.000 0.301 291 V C -0.844 175.242 176.094 -0.013 0.000 1.044 291 V CA -0.820 61.467 62.300 -0.022 0.000 0.874 291 V CB 2.735 34.536 31.823 -0.036 0.000 1.002 291 V HN 0.019 nan 8.190 nan 0.000 0.424 292 L N 4.531 125.746 121.223 -0.012 0.000 2.296 292 L HA 0.855 5.195 4.340 -0.000 0.000 0.286 292 L C 0.011 176.875 176.870 -0.010 0.000 1.023 292 L CA -0.449 54.387 54.840 -0.006 0.000 0.812 292 L CB 1.665 43.721 42.059 -0.004 0.000 1.223 292 L HN 0.796 nan 8.230 nan 0.000 0.421 293 A N 6.923 129.740 122.820 -0.005 0.000 2.399 293 A HA 0.611 4.931 4.320 -0.000 0.000 0.327 293 A C -2.513 175.073 177.584 0.003 0.000 1.367 293 A CA -1.452 50.580 52.037 -0.008 0.000 0.842 293 A CB 0.419 19.410 19.000 -0.014 0.000 1.142 293 A HN 0.505 nan 8.150 nan 0.000 0.495 294 P HA 0.213 nan 4.420 nan 0.000 0.263 294 P C 0.352 177.653 177.300 0.001 0.000 1.247 294 P CA 0.564 63.666 63.100 0.003 0.000 0.876 294 P CB 0.885 32.584 31.700 -0.001 0.000 0.928 295 A N 2.886 125.712 122.820 0.011 0.000 2.701 295 A HA 0.637 4.957 4.320 -0.000 0.000 0.297 295 A C 0.922 178.512 177.584 0.011 0.000 1.197 295 A CA 0.354 52.395 52.037 0.006 0.000 0.963 295 A CB -0.057 18.949 19.000 0.010 0.000 1.175 295 A HN 0.444 nan 8.150 nan 0.000 0.531 296 A N 0.192 123.018 122.820 0.010 0.000 2.522 296 A HA 0.779 5.099 4.320 -0.000 0.000 0.204 296 A C 0.371 177.952 177.584 -0.005 0.000 1.826 296 A CA 0.396 52.439 52.037 0.010 0.000 1.652 296 A CB -0.434 18.579 19.000 0.023 0.000 1.452 296 A HN 0.830 nan 8.150 nan 0.000 0.477 297 I N -0.816 119.752 120.570 -0.003 0.000 2.924 297 I HA 0.600 4.770 4.170 -0.000 0.000 0.316 297 I C -0.048 176.061 176.117 -0.015 0.000 1.014 297 I CA -0.819 60.474 61.300 -0.011 0.000 1.106 297 I CB 1.277 39.275 38.000 -0.004 0.000 1.311 297 I HN 0.709 nan 8.210 nan 0.000 0.502 298 E N 1.145 121.332 120.200 -0.021 0.000 2.374 298 E HA 0.225 4.575 4.350 -0.000 0.000 0.260 298 E C -0.711 175.882 176.600 -0.013 0.000 1.101 298 E CA -0.587 55.798 56.400 -0.025 0.000 0.907 298 E CB 0.419 30.097 29.700 -0.037 0.000 1.014 298 E HN 0.737 nan 8.360 nan 0.000 0.427 299 E N -0.640 119.553 120.200 -0.012 0.000 2.360 299 E HA -0.237 4.113 4.350 -0.000 0.000 0.238 299 E C 0.801 177.401 176.600 -0.001 0.000 1.186 299 E CA 0.501 56.898 56.400 -0.005 0.000 0.719 299 E CB -1.711 27.989 29.700 -0.001 0.000 1.236 299 E HN 0.549 nan 8.360 nan 0.000 0.386 300 V N -3.057 116.856 119.914 -0.002 0.000 3.052 300 V HA 0.157 4.277 4.120 -0.000 0.000 0.254 300 V C 1.046 177.140 176.094 0.001 0.000 1.100 300 V CA 0.728 63.028 62.300 0.001 0.000 1.112 300 V CB 0.077 31.901 31.823 0.001 0.000 0.738 300 V HN 0.273 nan 8.190 nan 0.000 0.469 301 I N 2.507 123.078 120.570 0.002 0.000 2.378 301 I HA 0.597 4.767 4.170 -0.000 0.000 0.291 301 I C 0.277 176.395 176.117 0.003 0.000 0.992 301 I CA 0.115 61.417 61.300 0.003 0.000 1.154 301 I CB 1.746 39.750 38.000 0.007 0.000 1.315 301 I HN 0.404 nan 8.210 nan 0.000 0.448 302 T N 0.299 114.854 114.554 0.002 0.000 2.626 302 T HA 0.461 4.811 4.350 -0.000 0.000 0.279 302 T C 0.974 175.675 174.700 0.001 0.000 0.983 302 T CA 0.139 62.239 62.100 0.001 0.000 1.059 302 T CB 1.231 70.100 68.868 0.001 0.000 1.396 302 T HN 0.486 nan 8.240 nan 0.000 0.519 303 E N 0.070 120.270 120.200 -0.000 0.000 2.077 303 E HA -0.025 4.325 4.350 -0.000 0.000 0.193 303 E C 2.475 179.075 176.600 0.001 0.000 0.989 303 E CA 2.627 59.027 56.400 -0.000 0.000 0.800 303 E CB -1.767 27.932 29.700 -0.001 0.000 0.746 303 E HN 1.001 nan 8.360 nan 0.000 0.452 304 K N 1.306 121.706 120.400 0.001 0.000 2.063 304 K HA -0.191 4.129 4.320 -0.000 0.000 0.208 304 K C 1.804 178.404 176.600 0.000 0.000 1.048 304 K CA 2.152 58.440 56.287 0.001 0.000 0.928 304 K CB -0.669 31.832 32.500 0.001 0.000 0.713 304 K HN 0.737 nan 8.250 nan 0.000 0.442 305 N N -2.097 116.603 118.700 0.000 0.000 2.166 305 N HA 0.335 5.075 4.740 -0.000 0.000 0.213 305 N C 1.593 177.103 175.510 0.001 0.000 1.222 305 N CA 0.749 53.798 53.050 -0.001 0.000 0.900 305 N CB 0.120 38.605 38.487 -0.003 0.000 1.055 305 N HN 0.285 nan 8.380 nan 0.000 0.515 306 A N 0.809 123.631 122.820 0.003 0.000 2.024 306 A HA -0.178 4.142 4.320 -0.000 0.000 0.220 306 A C 1.784 179.373 177.584 0.009 0.000 1.164 306 A CA 1.841 53.883 52.037 0.008 0.000 0.643 306 A CB -0.797 18.209 19.000 0.010 0.000 0.806 306 A HN 0.371 nan 8.150 nan 0.000 0.451 307 D N -0.724 119.680 120.400 0.006 0.000 2.347 307 D HA -0.030 4.610 4.640 -0.000 0.000 0.215 307 D C 1.191 177.493 176.300 0.003 0.000 0.976 307 D CA 0.944 54.948 54.000 0.006 0.000 0.884 307 D CB -0.325 40.478 40.800 0.005 0.000 0.915 307 D HN 0.615 nan 8.370 nan 0.000 0.526 308 N N -0.508 118.192 118.700 -0.001 0.000 2.280 308 N HA 0.099 4.839 4.740 -0.000 0.000 0.192 308 N C -0.378 175.128 175.510 -0.008 0.000 1.109 308 N CA -0.248 52.799 53.050 -0.006 0.000 0.855 308 N CB 0.675 39.156 38.487 -0.010 0.000 0.974 308 N HN 0.131 nan 8.380 nan 0.000 0.482 309 I N 1.043 121.612 120.570 -0.002 0.000 2.441 309 I HA 0.050 4.220 4.170 -0.000 0.000 0.287 309 I C 0.952 177.068 176.117 -0.001 0.000 1.049 309 I CA 0.458 61.757 61.300 -0.002 0.000 1.381 309 I CB 1.364 39.367 38.000 0.004 0.000 1.409 309 I HN 0.028 nan 8.210 nan 0.000 0.523 310 K N 3.528 123.925 120.400 -0.005 0.000 2.402 310 K HA 0.305 4.625 4.320 -0.000 0.000 0.204 310 K C 0.516 177.116 176.600 -0.000 0.000 1.056 310 K CA -0.114 56.171 56.287 -0.003 0.000 1.069 310 K CB 0.890 33.384 32.500 -0.010 0.000 0.888 310 K HN 0.759 nan 8.250 nan 0.000 0.546 311 A N 1.363 124.183 122.820 -0.000 0.000 2.477 311 A HA 0.055 4.375 4.320 -0.000 0.000 0.246 311 A C 0.498 178.085 177.584 0.004 0.000 1.078 311 A CA 0.122 52.160 52.037 0.000 0.000 0.770 311 A CB 0.374 19.373 19.000 -0.002 0.000 1.011 311 A HN 0.233 nan 8.150 nan 0.000 0.494 312 K N 1.168 121.570 120.400 0.004 0.000 2.217 312 K HA 0.122 4.442 4.320 -0.000 0.000 0.202 312 K C -0.256 176.346 176.600 0.004 0.000 1.051 312 K CA 1.020 57.312 56.287 0.008 0.000 0.952 312 K CB -0.017 32.488 32.500 0.009 0.000 0.736 312 K HN 0.706 nan 8.250 nan 0.000 0.453 313 I N 1.260 121.825 120.570 -0.008 0.000 2.478 313 I HA 0.137 4.307 4.170 -0.000 0.000 0.287 313 I C -1.024 175.082 176.117 -0.020 0.000 1.042 313 I CA -0.909 60.379 61.300 -0.020 0.000 1.067 313 I CB 2.429 40.402 38.000 -0.045 0.000 1.233 313 I HN -0.308 nan 8.210 nan 0.000 0.431 314 V N 6.025 125.929 119.914 -0.016 0.000 2.288 314 V HA 0.401 4.521 4.120 -0.000 0.000 0.266 314 V C 0.632 176.713 176.094 -0.023 0.000 1.048 314 V CA -0.545 61.747 62.300 -0.013 0.000 0.842 314 V CB 1.073 32.897 31.823 0.001 0.000 1.064 314 V HN 0.803 nan 8.190 nan 0.000 0.472 315 A N 4.416 127.217 122.820 -0.032 0.000 2.376 315 A HA 0.391 4.711 4.320 -0.000 0.000 0.298 315 A C 0.520 178.084 177.584 -0.032 0.000 1.271 315 A CA -0.396 51.616 52.037 -0.042 0.000 0.926 315 A CB -0.185 18.779 19.000 -0.059 0.000 1.141 315 A HN 0.843 nan 8.150 nan 0.000 0.539 316 E N 3.077 123.259 120.200 -0.029 0.000 1.802 316 E HA 0.134 4.484 4.350 -0.000 0.000 0.265 316 E C 0.555 177.138 176.600 -0.028 0.000 1.168 316 E CA -0.341 56.045 56.400 -0.023 0.000 1.033 316 E CB 0.446 30.137 29.700 -0.015 0.000 1.095 316 E HN 0.498 nan 8.360 nan 0.000 0.436 317 V N 1.717 121.614 119.914 -0.028 0.000 2.379 317 V HA -0.140 3.980 4.120 -0.000 0.000 0.245 317 V C 1.200 177.277 176.094 -0.028 0.000 1.044 317 V CA 1.545 63.826 62.300 -0.031 0.000 1.036 317 V CB -0.182 31.622 31.823 -0.031 0.000 0.664 317 V HN 0.594 nan 8.190 nan 0.000 0.453 318 A N 0.449 123.254 122.820 -0.025 0.000 2.327 318 A HA 0.268 4.588 4.320 -0.000 0.000 0.255 318 A C 0.238 177.799 177.584 -0.038 0.000 1.099 318 A CA -0.290 51.729 52.037 -0.030 0.000 0.801 318 A CB -0.035 18.950 19.000 -0.025 0.000 1.062 318 A HN 0.447 nan 8.150 nan 0.000 0.496 319 N N 0.116 118.784 118.700 -0.053 0.000 2.414 319 N HA 0.426 5.166 4.740 -0.000 0.000 0.256 319 N C 0.659 176.112 175.510 -0.095 0.000 1.029 319 N CA 1.222 54.223 53.050 -0.081 0.000 0.948 319 N CB 1.237 39.658 38.487 -0.108 0.000 1.102 319 N HN 1.251 nan 8.380 nan 0.000 0.496 320 G N 3.544 112.289 108.800 -0.091 0.000 2.130 320 G HA2 -0.168 3.792 3.960 -0.000 0.000 0.216 320 G HA3 -0.168 3.792 3.960 -0.000 0.000 0.216 320 G C -1.464 173.410 174.900 -0.044 0.000 0.999 320 G CA -0.231 44.817 45.100 -0.088 0.000 0.686 320 G HN 0.484 nan 8.290 nan 0.000 0.515 321 P HA 0.152 nan 4.420 nan 0.000 0.218 321 P C 0.806 178.103 177.300 -0.006 0.000 1.152 321 P CA 0.840 63.931 63.100 -0.015 0.000 0.826 321 P CB 0.337 32.031 31.700 -0.011 0.000 0.790 322 V N 1.666 121.581 119.914 0.001 0.000 2.427 322 V HA 0.261 4.381 4.120 -0.000 0.000 0.286 322 V C 0.998 177.093 176.094 0.002 0.000 1.034 322 V CA -0.502 61.803 62.300 0.008 0.000 0.893 322 V CB 0.932 32.771 31.823 0.026 0.000 0.982 322 V HN 0.167 nan 8.190 nan 0.000 0.452 323 T N 2.961 117.513 114.554 -0.003 0.000 2.816 323 T HA 0.321 4.671 4.350 -0.000 0.000 0.282 323 T C -1.867 172.818 174.700 -0.024 0.000 0.993 323 T CA -1.621 60.474 62.100 -0.008 0.000 0.994 323 T CB 1.509 70.374 68.868 -0.005 0.000 1.025 323 T HN 0.427 nan 8.240 nan 0.000 0.529 324 P HA 0.125 nan 4.420 nan 0.000 0.218 324 P C 1.857 179.114 177.300 -0.072 0.000 1.152 324 P CA 1.585 64.646 63.100 -0.065 0.000 0.826 324 P CB -0.330 31.343 31.700 -0.045 0.000 0.790 325 E N 0.573 120.749 120.200 -0.039 0.000 2.058 325 E HA -0.233 4.117 4.350 -0.000 0.000 0.194 325 E C 2.166 178.751 176.600 -0.026 0.000 0.997 325 E CA 1.915 58.298 56.400 -0.029 0.000 0.801 325 E CB -1.783 27.908 29.700 -0.014 0.000 0.746 325 E HN 0.246 nan 8.360 nan 0.000 0.450 326 A N 1.426 124.235 122.820 -0.019 0.000 1.940 326 A HA -0.231 4.089 4.320 -0.000 0.000 0.219 326 A C 2.114 179.696 177.584 -0.003 0.000 1.176 326 A CA 1.935 53.969 52.037 -0.005 0.000 0.631 326 A CB -0.475 18.526 19.000 0.001 0.000 0.814 326 A HN 0.484 nan 8.150 nan 0.000 0.446 327 D N 0.536 120.908 120.400 -0.047 0.000 2.116 327 D HA -0.158 4.482 4.640 -0.000 0.000 0.193 327 D C 1.387 177.647 176.300 -0.067 0.000 0.998 327 D CA 1.631 55.566 54.000 -0.107 0.000 0.836 327 D CB -0.435 40.113 40.800 -0.419 0.000 0.951 327 D HN 0.467 nan 8.370 nan 0.000 0.449 328 D N 0.373 120.720 120.400 -0.088 0.000 2.117 328 D HA -0.078 4.562 4.640 -0.000 0.000 0.198 328 D C 2.420 178.738 176.300 0.030 0.000 0.982 328 D CA 0.382 54.370 54.000 -0.020 0.000 0.828 328 D CB -0.185 40.598 40.800 -0.029 0.000 0.967 328 D HN 0.301 nan 8.370 nan 0.000 0.464 329 I N 0.942 121.524 120.570 0.020 0.000 2.142 329 I HA -0.253 3.917 4.170 -0.000 0.000 0.240 329 I C 2.585 178.729 176.117 0.045 0.000 1.078 329 I CA 0.879 62.195 61.300 0.027 0.000 1.343 329 I CB -0.365 37.645 38.000 0.017 0.000 1.046 329 I HN -0.041 nan 8.210 nan 0.000 0.405 330 L N 0.230 121.488 121.223 0.059 0.000 2.042 330 L HA -0.225 4.115 4.340 -0.000 0.000 0.210 330 L C 2.829 179.750 176.870 0.085 0.000 1.076 330 L CA 1.397 56.279 54.840 0.069 0.000 0.749 330 L CB -0.638 41.470 42.059 0.082 0.000 0.893 330 L HN 0.261 nan 8.230 nan 0.000 0.432 331 R N 0.492 121.073 120.500 0.135 0.000 2.066 331 R HA -0.181 4.159 4.340 -0.000 0.000 0.232 331 R C 2.463 178.817 176.300 0.090 0.000 1.131 331 R CA 1.766 57.948 56.100 0.136 0.000 0.955 331 R CB -0.231 30.234 30.300 0.275 0.000 0.851 331 R HN 0.390 nan 8.270 nan 0.000 0.432 332 E N 1.615 121.861 120.200 0.077 0.000 2.209 332 E HA -0.200 4.150 4.350 -0.000 0.000 0.196 332 E C 1.731 178.357 176.600 0.043 0.000 0.993 332 E CA 1.650 58.082 56.400 0.052 0.000 0.819 332 E CB -0.459 29.265 29.700 0.040 0.000 0.745 332 E HN 0.436 nan 8.360 nan 0.000 0.477 333 K N -1.724 118.703 120.400 0.044 0.000 2.432 333 K HA 0.148 4.468 4.320 -0.000 0.000 0.196 333 K C 1.507 178.130 176.600 0.038 0.000 1.038 333 K CA 0.590 56.898 56.287 0.035 0.000 0.986 333 K CB 0.462 32.980 32.500 0.031 0.000 0.782 333 K HN 0.561 nan 8.250 nan 0.000 0.485 334 G N 1.793 110.621 108.800 0.047 0.000 2.157 334 G HA2 -0.232 3.728 3.960 -0.000 0.000 0.239 334 G HA3 -0.232 3.728 3.960 -0.000 0.000 0.239 334 G C 0.171 175.100 174.900 0.048 0.000 0.982 334 G CA -0.296 44.834 45.100 0.051 0.000 0.650 334 G HN 0.219 nan 8.290 nan 0.000 0.527 335 I N 1.055 121.649 120.570 0.040 0.000 2.471 335 I HA 0.294 4.464 4.170 -0.000 0.000 0.286 335 I C 0.696 176.821 176.117 0.013 0.000 1.079 335 I CA -0.564 60.753 61.300 0.029 0.000 1.398 335 I CB 1.101 39.117 38.000 0.027 0.000 1.403 335 I HN 0.118 nan 8.210 nan 0.000 0.530 336 L N 8.163 129.392 121.223 0.010 0.000 2.295 336 L HA 0.222 4.562 4.340 -0.000 0.000 0.288 336 L C -0.041 176.803 176.870 -0.043 0.000 1.079 336 L CA 0.210 55.037 54.840 -0.021 0.000 0.830 336 L CB 0.327 42.414 42.059 0.047 0.000 1.200 336 L HN 0.546 nan 8.230 nan 0.000 0.438 337 Q N 4.805 124.548 119.800 -0.096 0.000 2.299 337 Q HA 0.452 4.792 4.340 -0.000 0.000 0.246 337 Q C -0.836 175.119 176.000 -0.075 0.000 0.935 337 Q CA -0.124 55.641 55.803 -0.065 0.000 0.887 337 Q CB 1.868 30.589 28.738 -0.028 0.000 1.223 337 Q HN 0.610 nan 8.270 nan 0.000 0.439 338 I N 3.862 124.408 120.570 -0.039 0.000 2.371 338 I HA 0.281 4.451 4.170 -0.000 0.000 0.282 338 I C -2.291 173.787 176.117 -0.065 0.000 1.031 338 I CA -2.462 58.819 61.300 -0.031 0.000 1.180 338 I CB 1.101 39.096 38.000 -0.009 0.000 1.336 338 I HN 0.279 nan 8.210 nan 0.000 0.467 339 P HA 0.012 nan 4.420 nan 0.000 0.268 339 P C 0.281 177.509 177.300 -0.120 0.000 1.205 339 P CA -0.141 62.902 63.100 -0.096 0.000 0.771 339 P CB 0.563 32.173 31.700 -0.151 0.000 0.858 340 D N 3.076 123.460 120.400 -0.028 0.000 2.157 340 D HA -0.269 4.371 4.640 -0.000 0.000 0.191 340 D C 1.364 177.673 176.300 0.014 0.000 1.004 340 D CA 1.919 55.914 54.000 -0.007 0.000 0.854 340 D CB -1.349 39.455 40.800 0.007 0.000 0.936 340 D HN 0.542 nan 8.370 nan 0.000 0.446 341 F N -0.470 119.433 119.950 -0.079 0.000 2.780 341 F HA 0.273 4.800 4.527 -0.000 0.000 0.299 341 F C 1.863 177.638 175.800 -0.042 0.000 1.146 341 F CA -0.269 57.690 58.000 -0.067 0.000 1.428 341 F CB -0.264 38.688 39.000 -0.079 0.000 1.115 341 F HN 0.021 nan 8.300 nan 0.000 0.583 342 L N 0.035 120.974 121.223 -0.473 0.000 2.221 342 L HA 0.102 4.442 4.340 -0.000 0.000 0.202 342 L C 2.289 179.089 176.870 -0.117 0.000 1.074 342 L CA 1.367 56.023 54.840 -0.307 0.000 0.795 342 L CB -0.986 40.842 42.059 -0.386 0.000 0.960 342 L HN 0.383 nan 8.230 nan 0.000 0.458 343 C N 1.563 120.801 119.300 -0.103 0.000 2.466 343 C HA 0.001 4.461 4.460 -0.000 0.000 0.278 343 C C 2.147 177.117 174.990 -0.035 0.000 1.288 343 C CA 0.895 59.881 59.018 -0.053 0.000 1.722 343 C CB -1.414 26.292 27.740 -0.056 0.000 2.017 343 C HN 0.865 nan 8.230 nan 0.000 0.488 344 N N 0.798 119.482 118.700 -0.026 0.000 2.295 344 N HA 0.264 5.004 4.740 -0.000 0.000 0.221 344 N C 0.785 176.295 175.510 -0.001 0.000 1.129 344 N CA 0.804 53.844 53.050 -0.017 0.000 0.836 344 N CB -0.311 38.165 38.487 -0.018 0.000 1.040 344 N HN 0.410 nan 8.380 nan 0.000 0.494 345 A N -0.251 122.574 122.820 0.008 0.000 2.206 345 A HA 0.255 4.575 4.320 -0.000 0.000 0.211 345 A C 2.087 179.679 177.584 0.013 0.000 1.158 345 A CA 0.628 52.678 52.037 0.022 0.000 0.761 345 A CB -0.911 18.106 19.000 0.029 0.000 0.801 345 A HN 0.421 nan 8.150 nan 0.000 0.473 346 G N -0.161 108.649 108.800 0.017 0.000 2.470 346 G HA2 0.029 3.989 3.960 -0.000 0.000 0.220 346 G HA3 0.029 3.989 3.960 -0.000 0.000 0.220 346 G C 1.366 176.264 174.900 -0.003 0.000 1.121 346 G CA 1.123 46.240 45.100 0.028 0.000 0.766 346 G HN 0.589 nan 8.290 nan 0.000 0.553 347 G N 0.207 108.999 108.800 -0.014 0.000 2.414 347 G HA2 -0.152 3.808 3.960 -0.000 0.000 0.215 347 G HA3 -0.152 3.808 3.960 -0.000 0.000 0.215 347 G C 1.723 176.607 174.900 -0.026 0.000 1.188 347 G CA 1.026 46.111 45.100 -0.025 0.000 0.783 347 G HN 0.310 nan 8.290 nan 0.000 0.537 348 V N 1.009 120.914 119.914 -0.015 0.000 2.515 348 V HA -0.125 3.995 4.120 -0.000 0.000 0.250 348 V C 3.041 179.130 176.094 -0.008 0.000 1.058 348 V CA 2.706 65.005 62.300 -0.001 0.000 1.064 348 V CB -0.631 31.201 31.823 0.016 0.000 0.675 348 V HN 0.419 nan 8.190 nan 0.000 0.461 349 T N -0.387 114.127 114.554 -0.066 0.000 2.788 349 T HA -0.144 4.205 4.350 -0.000 0.000 0.268 349 T C 1.761 176.193 174.700 -0.447 0.000 1.044 349 T CA 1.762 63.734 62.100 -0.214 0.000 1.139 349 T CB -0.142 68.615 68.868 -0.184 0.000 0.867 349 T HN 0.387 nan 8.240 nan 0.000 0.454 350 V N 1.936 121.721 119.914 -0.214 0.000 2.951 350 V HA -0.073 4.047 4.120 -0.000 0.000 0.255 350 V C 2.697 178.769 176.094 -0.038 0.000 1.088 350 V CA 1.447 63.679 62.300 -0.113 0.000 1.109 350 V CB -0.474 31.374 31.823 0.041 0.000 0.724 350 V HN 0.631 nan 8.190 nan 0.000 0.471 351 S N -0.038 115.654 115.700 -0.014 0.000 2.383 351 S HA -0.267 4.203 4.470 -0.000 0.000 0.227 351 S C 2.008 176.689 174.600 0.137 0.000 1.026 351 S CA 1.512 59.734 58.200 0.036 0.000 0.981 351 S CB -0.715 62.492 63.200 0.012 0.000 0.818 351 S HN 0.600 nan 8.310 nan 0.000 0.472 352 Y N 2.503 122.822 120.300 0.033 0.000 2.030 352 Y HA -0.148 4.402 4.550 -0.000 0.000 0.274 352 Y C 1.877 177.894 175.900 0.196 0.000 1.153 352 Y CA 1.384 59.556 58.100 0.119 0.000 1.115 352 Y CB -1.085 37.315 38.460 -0.100 0.000 0.969 352 Y HN 0.220 nan 8.280 nan 0.000 0.488 353 F N 1.098 120.927 119.950 -0.202 0.000 2.154 353 F HA -0.217 4.310 4.527 -0.000 0.000 0.301 353 F C 2.644 178.102 175.800 -0.569 0.000 1.087 353 F CA 1.605 59.310 58.000 -0.493 0.000 1.274 353 F CB -1.390 37.426 39.000 -0.306 0.000 1.009 353 F HN 0.300 nan 8.300 nan 0.000 0.485 354 E N -0.833 119.309 120.200 -0.095 0.000 2.051 354 E HA -0.286 4.064 4.350 -0.000 0.000 0.192 354 E C 2.261 178.836 176.600 -0.042 0.000 0.991 354 E CA 1.604 57.950 56.400 -0.090 0.000 0.799 354 E CB -0.522 29.180 29.700 0.003 0.000 0.748 354 E HN 0.498 nan 8.360 nan 0.000 0.449 355 W N 0.529 121.738 121.300 -0.152 0.000 2.381 355 W HA -0.160 4.500 4.660 -0.000 0.000 0.301 355 W C 1.896 178.295 176.519 -0.201 0.000 1.205 355 W CA 1.266 58.538 57.345 -0.122 0.000 1.285 355 W CB -0.338 29.121 29.460 -0.002 0.000 1.133 355 W HN -0.104 nan 8.180 nan 0.000 0.521 356 V N 1.258 121.068 119.914 -0.174 0.000 2.332 356 V HA -0.380 3.740 4.120 -0.000 0.000 0.248 356 V C 2.272 178.121 176.094 -0.409 0.000 1.055 356 V CA 2.523 64.603 62.300 -0.367 0.000 1.038 356 V CB -1.041 30.642 31.823 -0.233 0.000 0.651 356 V HN 0.317 nan 8.190 nan 0.000 0.450 357 Q N -0.480 119.003 119.800 -0.529 0.000 2.123 357 Q HA -0.139 4.201 4.340 -0.000 0.000 0.199 357 Q C 2.207 177.795 176.000 -0.686 0.000 0.966 357 Q CA 1.312 56.690 55.803 -0.708 0.000 0.845 357 Q CB -0.199 27.957 28.738 -0.970 0.000 0.907 357 Q HN 0.638 nan 8.270 nan 0.000 0.439 358 N N 1.034 119.488 118.700 -0.410 0.000 2.142 358 N HA -0.124 4.616 4.740 -0.000 0.000 0.186 358 N C 1.933 177.303 175.510 -0.234 0.000 1.023 358 N CA 1.312 54.262 53.050 -0.167 0.000 0.852 358 N CB -0.134 38.352 38.487 -0.001 0.000 0.998 358 N HN 0.434 nan 8.380 nan 0.000 0.424 359 I N -2.199 118.114 120.570 -0.429 0.000 3.059 359 I HA 0.101 4.271 4.170 -0.000 0.000 0.270 359 I C 0.528 176.518 176.117 -0.213 0.000 1.238 359 I CA 0.990 62.064 61.300 -0.376 0.000 1.478 359 I CB -0.074 37.510 38.000 -0.694 0.000 1.097 359 I HN -0.176 nan 8.210 nan 0.000 0.455 360 N N 1.668 120.234 118.700 -0.223 0.000 2.280 360 N HA 0.148 4.888 4.740 -0.000 0.000 0.192 360 N C 1.409 176.884 175.510 -0.058 0.000 1.109 360 N CA 0.810 53.797 53.050 -0.105 0.000 0.855 360 N CB 0.632 39.084 38.487 -0.058 0.000 0.974 360 N HN 0.550 nan 8.380 nan 0.000 0.482 361 G N 0.815 109.546 108.800 -0.116 0.000 2.296 361 G HA2 -0.323 3.637 3.960 -0.000 0.000 0.282 361 G HA3 -0.323 3.637 3.960 -0.000 0.000 0.282 361 G C -0.467 174.467 174.900 0.058 0.000 1.014 361 G CA 0.731 45.812 45.100 -0.032 0.000 0.812 361 G HN 0.492 nan 8.290 nan 0.000 0.508 362 Y N -0.649 119.480 120.300 -0.286 0.000 2.361 362 Y HA 0.592 5.142 4.550 -0.000 0.000 0.328 362 Y C -0.614 175.107 175.900 -0.300 0.000 1.044 362 Y CA -1.712 56.310 58.100 -0.129 0.000 1.085 362 Y CB 1.137 39.595 38.460 -0.004 0.000 1.194 362 Y HN 0.138 nan 8.280 nan 0.000 0.438 363 Y N 3.982 124.094 120.300 -0.314 0.000 2.361 363 Y HA 0.410 4.960 4.550 -0.000 0.000 0.332 363 Y C -0.584 175.284 175.900 -0.053 0.000 1.101 363 Y CA -0.684 57.289 58.100 -0.212 0.000 1.137 363 Y CB 0.954 39.307 38.460 -0.178 0.000 1.207 363 Y HN 0.494 nan 8.280 nan 0.000 0.463 364 W N 0.918 122.211 121.300 -0.012 0.000 2.415 364 W HA 0.460 5.120 4.660 -0.000 0.000 0.355 364 W C 0.226 176.737 176.519 -0.013 0.000 1.161 364 W CA -1.642 55.683 57.345 -0.034 0.000 1.315 364 W CB 0.284 29.715 29.460 -0.047 0.000 1.261 364 W HN 0.476 nan 8.180 nan 0.000 0.636 365 T N -2.256 112.438 114.554 0.234 0.000 2.849 365 T HA 0.115 4.465 4.350 -0.000 0.000 0.284 365 T C 0.959 175.741 174.700 0.137 0.000 1.004 365 T CA -0.256 61.922 62.100 0.130 0.000 1.021 365 T CB 1.480 70.394 68.868 0.077 0.000 1.013 365 T HN 0.402 nan 8.240 nan 0.000 0.527 366 E N 0.572 120.825 120.200 0.088 0.000 2.114 366 E HA -0.205 4.145 4.350 -0.000 0.000 0.199 366 E C 1.822 178.473 176.600 0.085 0.000 1.008 366 E CA 1.828 58.275 56.400 0.079 0.000 0.810 366 E CB -0.332 29.396 29.700 0.047 0.000 0.739 366 E HN 0.795 nan 8.360 nan 0.000 0.456 367 E N 0.192 120.431 120.200 0.065 0.000 2.106 367 E HA -0.128 4.222 4.350 -0.000 0.000 0.192 367 E C 1.963 178.584 176.600 0.035 0.000 0.984 367 E CA 1.318 57.747 56.400 0.048 0.000 0.806 367 E CB -0.091 29.625 29.700 0.027 0.000 0.750 367 E HN 0.413 nan 8.360 nan 0.000 0.458 368 E N -0.126 120.097 120.200 0.038 0.000 2.076 368 E HA -0.085 4.265 4.350 -0.000 0.000 0.190 368 E C 2.062 178.670 176.600 0.013 0.000 0.979 368 E CA 0.838 57.214 56.400 -0.040 0.000 0.807 368 E CB 0.061 29.710 29.700 -0.085 0.000 0.761 368 E HN 0.014 nan 8.360 nan 0.000 0.454 369 V N 1.490 121.538 119.914 0.223 0.000 2.282 369 V HA -0.329 3.791 4.120 -0.000 0.000 0.249 369 V C 2.453 178.686 176.094 0.232 0.000 1.057 369 V CA 2.322 64.802 62.300 0.301 0.000 1.032 369 V CB -0.508 31.493 31.823 0.297 0.000 0.645 369 V HN 0.220 nan 8.190 nan 0.000 0.447 370 R N 0.058 120.668 120.500 0.183 0.000 2.075 370 R HA -0.173 4.167 4.340 -0.000 0.000 0.232 370 R C 2.418 178.804 176.300 0.144 0.000 1.126 370 R CA 1.754 57.986 56.100 0.220 0.000 0.963 370 R CB -0.376 30.038 30.300 0.190 0.000 0.858 370 R HN 0.587 nan 8.270 nan 0.000 0.435 371 E N 0.791 121.013 120.200 0.036 0.000 2.106 371 E HA -0.181 4.169 4.350 -0.000 0.000 0.192 371 E C 1.265 177.814 176.600 -0.084 0.000 0.984 371 E CA 1.067 57.434 56.400 -0.055 0.000 0.806 371 E CB 0.151 29.807 29.700 -0.073 0.000 0.750 371 E HN 0.253 nan 8.360 nan 0.000 0.458 372 K N 0.745 121.089 120.400 -0.093 0.000 2.026 372 K HA -0.153 4.167 4.320 -0.000 0.000 0.208 372 K C 2.356 179.091 176.600 0.224 0.000 1.048 372 K CA 0.687 56.913 56.287 -0.102 0.000 0.929 372 K CB -0.738 31.415 32.500 -0.578 0.000 0.713 372 K HN 0.172 nan 8.250 nan 0.000 0.439 373 L N 2.576 124.050 121.223 0.417 0.000 2.012 373 L HA -0.213 4.127 4.340 -0.000 0.000 0.210 373 L C 2.164 179.055 176.870 0.035 0.000 1.073 373 L CA 1.993 57.100 54.840 0.445 0.000 0.748 373 L CB -0.774 41.599 42.059 0.522 0.000 0.891 373 L HN 0.229 nan 8.230 nan 0.000 0.431 374 D N -0.348 119.808 120.400 -0.405 0.000 2.126 374 D HA -0.267 4.373 4.640 -0.000 0.000 0.190 374 D C 2.007 178.021 176.300 -0.476 0.000 1.001 374 D CA 1.685 54.953 54.000 -1.220 0.000 0.841 374 D CB 0.031 40.209 40.800 -1.036 0.000 0.949 374 D HN 0.416 nan 8.370 nan 0.000 0.446 375 K N 0.196 120.473 120.400 -0.204 0.000 2.032 375 K HA -0.131 4.189 4.320 -0.000 0.000 0.209 375 K C 2.415 179.031 176.600 0.027 0.000 1.048 375 K CA 0.863 57.116 56.287 -0.057 0.000 0.927 375 K CB -0.051 32.440 32.500 -0.015 0.000 0.712 375 K HN 0.169 nan 8.250 nan 0.000 0.441 376 K N 0.050 120.507 120.400 0.096 0.000 2.057 376 K HA -0.017 4.303 4.320 -0.000 0.000 0.206 376 K C 2.182 178.835 176.600 0.088 0.000 1.050 376 K CA 0.962 57.325 56.287 0.127 0.000 0.935 376 K CB 0.026 32.646 32.500 0.200 0.000 0.715 376 K HN 0.075 nan 8.250 nan 0.000 0.439 377 M N 0.394 120.042 119.600 0.080 0.000 2.175 377 M HA -0.096 4.384 4.480 -0.000 0.000 0.264 377 M C 2.129 178.475 176.300 0.076 0.000 1.063 377 M CA 1.584 56.943 55.300 0.098 0.000 1.119 377 M CB -1.237 31.483 32.600 0.202 0.000 1.377 377 M HN 0.081 nan 8.290 nan 0.000 0.415 378 T N 0.563 115.134 114.554 0.028 0.000 2.674 378 T HA -0.152 4.197 4.350 -0.000 0.000 0.265 378 T C 1.991 176.778 174.700 0.145 0.000 1.039 378 T CA 1.288 63.421 62.100 0.055 0.000 1.150 378 T CB -0.145 68.761 68.868 0.063 0.000 0.864 378 T HN 0.302 nan 8.240 nan 0.000 0.427 379 K N 1.143 121.635 120.400 0.154 0.000 2.063 379 K HA -0.065 4.255 4.320 -0.000 0.000 0.208 379 K C 2.542 179.226 176.600 0.140 0.000 1.048 379 K CA 1.382 57.781 56.287 0.187 0.000 0.928 379 K CB -0.431 32.147 32.500 0.130 0.000 0.713 379 K HN 0.297 nan 8.250 nan 0.000 0.442 380 A N 1.000 123.872 122.820 0.086 0.000 1.883 380 A HA -0.202 4.118 4.320 -0.000 0.000 0.217 380 A C 2.040 179.611 177.584 -0.021 0.000 1.186 380 A CA 1.547 53.606 52.037 0.037 0.000 0.624 380 A CB -0.887 18.131 19.000 0.029 0.000 0.822 380 A HN 0.473 nan 8.150 nan 0.000 0.444 381 F N -0.803 119.064 119.950 -0.138 0.000 2.043 381 F HA -0.238 4.289 4.527 -0.000 0.000 0.297 381 F C 2.086 177.741 175.800 -0.242 0.000 1.121 381 F CA 2.016 59.851 58.000 -0.275 0.000 1.199 381 F CB -0.691 38.018 39.000 -0.485 0.000 0.968 381 F HN 0.407 nan 8.300 nan 0.000 0.478 382 W N 0.814 122.093 121.300 -0.034 0.000 2.350 382 W HA -0.171 4.489 4.660 -0.000 0.000 0.289 382 W C 2.470 178.951 176.519 -0.064 0.000 1.215 382 W CA 1.374 58.696 57.345 -0.038 0.000 1.236 382 W CB -0.411 29.105 29.460 0.094 0.000 1.130 382 W HN 0.115 nan 8.180 nan 0.000 0.541 383 E N -0.140 120.127 120.200 0.112 0.000 2.015 383 E HA -0.219 4.131 4.350 -0.000 0.000 0.191 383 E C 2.080 178.669 176.600 -0.018 0.000 0.991 383 E CA 1.945 58.385 56.400 0.066 0.000 0.802 383 E CB -0.551 29.180 29.700 0.052 0.000 0.759 383 E HN -0.013 nan 8.360 nan 0.000 0.447 384 V N 0.700 120.539 119.914 -0.124 0.000 2.332 384 V HA -0.295 3.825 4.120 -0.000 0.000 0.248 384 V C 2.017 177.992 176.094 -0.198 0.000 1.055 384 V CA 1.976 64.170 62.300 -0.177 0.000 1.038 384 V CB -0.621 31.038 31.823 -0.273 0.000 0.651 384 V HN 0.336 nan 8.190 nan 0.000 0.450 385 Y N 1.787 121.802 120.300 -0.475 0.000 2.097 385 Y HA -0.278 4.272 4.550 -0.000 0.000 0.282 385 Y C 2.368 178.299 175.900 0.051 0.000 1.152 385 Y CA 2.379 60.271 58.100 -0.347 0.000 1.136 385 Y CB -0.546 37.552 38.460 -0.603 0.000 0.975 385 Y HN 0.346 nan 8.280 nan 0.000 0.498 386 N N -1.376 117.397 118.700 0.120 0.000 2.309 386 N HA -0.136 4.604 4.740 -0.000 0.000 0.182 386 N C 1.584 177.081 175.510 -0.021 0.000 1.018 386 N CA 1.439 54.531 53.050 0.070 0.000 0.876 386 N CB -0.152 38.432 38.487 0.161 0.000 0.972 386 N HN 0.297 nan 8.380 nan 0.000 0.434 387 T N 0.186 114.733 114.554 -0.011 0.000 2.674 387 T HA -0.227 4.123 4.350 -0.000 0.000 0.265 387 T C 1.764 176.438 174.700 -0.043 0.000 1.039 387 T CA 1.350 63.440 62.100 -0.016 0.000 1.150 387 T CB -0.564 68.304 68.868 0.001 0.000 0.864 387 T HN 0.481 nan 8.240 nan 0.000 0.427 388 H N 1.880 120.841 119.070 -0.181 0.000 2.387 388 H HA -0.104 4.452 4.556 -0.000 0.000 0.299 388 H C 2.277 177.474 175.328 -0.218 0.000 1.099 388 H CA 2.293 58.215 56.048 -0.211 0.000 1.315 388 H CB -0.313 29.280 29.762 -0.281 0.000 1.380 388 H HN 0.420 nan 8.280 nan 0.000 0.513 389 K N 1.101 121.149 120.400 -0.586 0.000 1.991 389 K HA -0.099 4.221 4.320 -0.000 0.000 0.207 389 K C 2.087 178.515 176.600 -0.288 0.000 1.045 389 K CA 1.519 57.461 56.287 -0.576 0.000 0.937 389 K CB -0.892 31.371 32.500 -0.396 0.000 0.720 389 K HN 0.482 nan 8.250 nan 0.000 0.438 390 D N -0.169 120.131 120.400 -0.167 0.000 2.097 390 D HA -0.037 4.603 4.640 -0.000 0.000 0.195 390 D C 1.845 178.100 176.300 -0.076 0.000 0.989 390 D CA 1.286 55.231 54.000 -0.091 0.000 0.827 390 D CB 0.086 40.859 40.800 -0.045 0.000 0.966 390 D HN 0.432 nan 8.370 nan 0.000 0.456 391 K N 0.107 120.466 120.400 -0.069 0.000 2.525 391 K HA 0.006 4.326 4.320 -0.000 0.000 0.192 391 K C -0.086 176.478 176.600 -0.059 0.000 1.029 391 K CA 0.026 56.291 56.287 -0.036 0.000 1.029 391 K CB -0.018 32.484 32.500 0.003 0.000 0.814 391 K HN 0.028 nan 8.250 nan 0.000 0.503 392 N N 1.080 119.698 118.700 -0.137 0.000 2.688 392 N HA -0.180 4.560 4.740 -0.000 0.000 0.258 392 N C -0.978 174.467 175.510 -0.109 0.000 1.016 392 N CA 0.670 53.619 53.050 -0.168 0.000 0.747 392 N CB -1.030 37.395 38.487 -0.103 0.000 0.895 392 N HN 0.372 nan 8.380 nan 0.000 0.543 393 I N -4.101 116.400 120.570 -0.116 0.000 3.108 393 I HA 0.459 4.629 4.170 -0.000 0.000 0.312 393 I C 0.619 176.768 176.117 0.053 0.000 1.095 393 I CA -1.204 60.065 61.300 -0.052 0.000 1.000 393 I CB 1.578 39.510 38.000 -0.114 0.000 1.229 393 I HN 0.021 nan 8.210 nan 0.000 0.454 394 H N 3.200 122.234 119.070 -0.059 0.000 2.948 394 H HA 0.101 4.657 4.556 -0.000 0.000 0.351 394 H C 0.680 175.996 175.328 -0.021 0.000 1.079 394 H CA 0.447 56.493 56.048 -0.004 0.000 1.407 394 H CB 1.238 30.956 29.762 -0.074 0.000 1.373 394 H HN 0.692 nan 8.280 nan 0.000 0.605 395 M N 3.711 123.031 119.600 -0.466 0.000 2.213 395 M HA -0.187 4.293 4.480 -0.000 0.000 0.263 395 M C 2.316 178.557 176.300 -0.097 0.000 1.062 395 M CA 1.280 56.366 55.300 -0.357 0.000 1.105 395 M CB -0.623 31.665 32.600 -0.520 0.000 1.385 395 M HN 0.655 nan 8.290 nan 0.000 0.417 396 R N 0.580 121.188 120.500 0.180 0.000 2.073 396 R HA -0.159 4.181 4.340 -0.000 0.000 0.234 396 R C 1.589 178.059 176.300 0.283 0.000 1.134 396 R CA 1.669 57.927 56.100 0.264 0.000 0.952 396 R CB -0.014 30.503 30.300 0.361 0.000 0.850 396 R HN 0.312 nan 8.270 nan 0.000 0.433 397 D N 0.074 120.564 120.400 0.150 0.000 2.144 397 D HA -0.106 4.534 4.640 -0.000 0.000 0.200 397 D C 1.690 178.025 176.300 0.060 0.000 0.978 397 D CA 1.294 55.300 54.000 0.010 0.000 0.833 397 D CB -0.145 40.373 40.800 -0.471 0.000 0.961 397 D HN 0.362 nan 8.370 nan 0.000 0.470 398 A N 1.215 124.047 122.820 0.020 0.000 1.933 398 A HA -0.076 4.244 4.320 -0.000 0.000 0.218 398 A C 2.321 179.923 177.584 0.030 0.000 1.175 398 A CA 2.060 54.107 52.037 0.017 0.000 0.628 398 A CB -0.525 18.468 19.000 -0.011 0.000 0.814 398 A HN 0.242 nan 8.150 nan 0.000 0.444 399 A N -1.726 121.099 122.820 0.008 0.000 1.930 399 A HA -0.013 4.307 4.320 -0.000 0.000 0.217 399 A C 2.065 179.759 177.584 0.184 0.000 1.175 399 A CA 1.362 53.358 52.037 -0.069 0.000 0.627 399 A CB -0.690 18.027 19.000 -0.472 0.000 0.815 399 A HN 0.583 nan 8.150 nan 0.000 0.443 400 Y N -0.515 119.941 120.300 0.260 0.000 2.200 400 Y HA -0.149 4.401 4.550 -0.000 0.000 0.290 400 Y C 2.613 178.530 175.900 0.027 0.000 1.137 400 Y CA 1.480 59.658 58.100 0.130 0.000 1.163 400 Y CB -0.277 38.181 38.460 -0.004 0.000 0.988 400 Y HN 0.101 nan 8.280 nan 0.000 0.518 401 V N -0.953 119.081 119.914 0.200 0.000 2.287 401 V HA -0.310 3.810 4.120 -0.000 0.000 0.248 401 V C 2.206 178.366 176.094 0.109 0.000 1.053 401 V CA 1.760 64.135 62.300 0.125 0.000 1.027 401 V CB -0.876 31.012 31.823 0.108 0.000 0.646 401 V HN 0.228 nan 8.190 nan 0.000 0.447 402 V N 0.170 120.144 119.914 0.101 0.000 2.255 402 V HA -0.312 3.808 4.120 -0.000 0.000 0.247 402 V C 2.665 178.840 176.094 0.136 0.000 1.051 402 V CA 2.344 64.701 62.300 0.095 0.000 1.018 402 V CB -1.164 30.695 31.823 0.059 0.000 0.641 402 V HN 0.582 nan 8.190 nan 0.000 0.445 403 A N -0.503 122.427 122.820 0.184 0.000 1.873 403 A HA -0.132 4.188 4.320 -0.000 0.000 0.215 403 A C 2.344 180.096 177.584 0.279 0.000 1.186 403 A CA 1.968 54.165 52.037 0.267 0.000 0.616 403 A CB -0.687 18.547 19.000 0.391 0.000 0.823 403 A HN 0.331 nan 8.150 nan 0.000 0.442 404 V N 0.144 120.151 119.914 0.155 0.000 2.515 404 V HA -0.189 3.931 4.120 -0.000 0.000 0.250 404 V C 2.731 178.931 176.094 0.176 0.000 1.058 404 V CA 2.130 64.484 62.300 0.090 0.000 1.064 404 V CB -0.750 30.964 31.823 -0.182 0.000 0.675 404 V HN 0.545 nan 8.190 nan 0.000 0.461 405 S N -0.348 115.447 115.700 0.159 0.000 2.370 405 S HA -0.219 4.251 4.470 -0.000 0.000 0.226 405 S C 2.121 176.833 174.600 0.186 0.000 1.033 405 S CA 1.561 59.878 58.200 0.196 0.000 1.011 405 S CB -0.307 62.977 63.200 0.141 0.000 0.852 405 S HN 0.527 nan 8.310 nan 0.000 0.457 406 R N 0.394 120.990 120.500 0.160 0.000 2.073 406 R HA -0.052 4.288 4.340 -0.000 0.000 0.234 406 R C 2.244 178.624 176.300 0.133 0.000 1.134 406 R CA 1.408 57.584 56.100 0.126 0.000 0.952 406 R CB -0.613 29.762 30.300 0.125 0.000 0.850 406 R HN 0.248 nan 8.270 nan 0.000 0.433 407 V N 0.026 120.072 119.914 0.219 0.000 2.515 407 V HA -0.245 3.875 4.120 -0.000 0.000 0.250 407 V C 1.865 178.073 176.094 0.191 0.000 1.058 407 V CA 1.547 63.981 62.300 0.225 0.000 1.064 407 V CB -0.554 31.512 31.823 0.406 0.000 0.675 407 V HN 0.350 nan 8.190 nan 0.000 0.461 408 Y N 1.008 121.347 120.300 0.065 0.000 2.337 408 Y HA -0.119 4.431 4.550 -0.000 0.000 0.293 408 Y C 2.502 178.372 175.900 -0.049 0.000 1.123 408 Y CA 1.773 59.876 58.100 0.004 0.000 1.201 408 Y CB -0.247 38.229 38.460 0.026 0.000 1.011 408 Y HN 0.256 nan 8.280 nan 0.000 0.545 409 Q N 0.691 120.435 119.800 -0.093 0.000 2.119 409 Q HA -0.072 4.268 4.340 -0.000 0.000 0.201 409 Q C 2.307 178.180 176.000 -0.212 0.000 0.972 409 Q CA 1.911 57.585 55.803 -0.214 0.000 0.847 409 Q CB -0.606 28.074 28.738 -0.097 0.000 0.903 409 Q HN 0.520 nan 8.270 nan 0.000 0.433 410 A N -0.206 122.515 122.820 -0.165 0.000 1.898 410 A HA -0.157 4.163 4.320 -0.000 0.000 0.216 410 A C 2.109 179.449 177.584 -0.407 0.000 1.181 410 A CA 1.579 53.475 52.037 -0.235 0.000 0.620 410 A CB -0.517 18.372 19.000 -0.185 0.000 0.819 410 A HN 0.481 nan 8.150 nan 0.000 0.442 411 M N -0.526 118.836 119.600 -0.398 0.000 2.080 411 M HA -0.194 4.286 4.480 -0.000 0.000 0.260 411 M C 2.151 178.219 176.300 -0.386 0.000 1.068 411 M CA 1.854 56.859 55.300 -0.492 0.000 1.109 411 M CB -0.298 32.125 32.600 -0.295 0.000 1.342 411 M HN 0.329 nan 8.290 nan 0.000 0.405 412 K N -0.040 120.154 120.400 -0.344 0.000 2.026 412 K HA -0.158 4.162 4.320 -0.000 0.000 0.208 412 K C 1.473 177.936 176.600 -0.228 0.000 1.048 412 K CA 1.344 57.458 56.287 -0.288 0.000 0.929 412 K CB -0.279 31.994 32.500 -0.379 0.000 0.713 412 K HN 0.286 nan 8.250 nan 0.000 0.439 413 D N 0.427 120.682 120.400 -0.241 0.000 2.264 413 D HA -0.089 4.551 4.640 -0.000 0.000 0.208 413 D C 1.627 177.814 176.300 -0.189 0.000 0.966 413 D CA 0.877 54.767 54.000 -0.184 0.000 0.864 413 D CB 0.027 40.730 40.800 -0.162 0.000 0.933 413 D HN 0.174 nan 8.370 nan 0.000 0.499 414 R N -0.330 119.989 120.500 -0.302 0.000 2.275 414 R HA 0.133 4.473 4.340 -0.000 0.000 0.199 414 R C 1.363 177.605 176.300 -0.098 0.000 0.989 414 R CA 0.609 56.533 56.100 -0.294 0.000 1.016 414 R CB 0.180 30.026 30.300 -0.757 0.000 0.918 414 R HN 0.090 nan 8.270 nan 0.000 0.473 415 G N 0.389 109.138 108.800 -0.086 0.000 2.160 415 G HA2 -0.215 3.745 3.960 -0.000 0.000 0.251 415 G HA3 -0.215 3.745 3.960 -0.000 0.000 0.251 415 G C 0.327 175.316 174.900 0.147 0.000 1.008 415 G CA 0.244 45.357 45.100 0.022 0.000 0.724 415 G HN 0.315 nan 8.290 nan 0.000 0.514 416 W N -0.288 120.895 121.300 -0.196 0.000 2.355 416 W HA 0.244 4.904 4.660 -0.000 0.000 0.309 416 W C 1.678 177.981 176.519 -0.359 0.000 1.206 416 W CA 1.354 58.495 57.345 -0.340 0.000 1.284 416 W CB -0.962 28.040 29.460 -0.764 0.000 1.145 416 W HN 0.751 nan 8.180 nan 0.000 0.502 417 V N -0.943 118.907 119.914 -0.106 0.000 2.495 417 V HA 0.459 4.579 4.120 -0.000 0.000 0.298 417 V C 0.738 176.830 176.094 -0.004 0.000 1.031 417 V CA -1.296 60.985 62.300 -0.031 0.000 0.871 417 V CB 1.991 33.799 31.823 -0.026 0.000 0.988 417 V HN -0.189 nan 8.190 nan 0.000 0.432 418 K N 2.739 123.163 120.400 0.039 0.000 2.243 418 K HA 0.106 4.426 4.320 -0.000 0.000 0.201 418 K C 0.575 177.182 176.600 0.013 0.000 1.051 418 K CA 1.105 57.407 56.287 0.025 0.000 0.970 418 K CB -0.051 32.475 32.500 0.043 0.000 0.755 418 K HN 0.939 nan 8.250 nan 0.000 0.465 419 K N 0.000 120.425 120.400 0.041 0.000 2.780 419 K HA 0.000 4.320 4.320 -0.000 0.000 0.191 419 K CA 0.000 56.319 56.287 0.053 0.000 0.838 419 K CB 0.000 32.540 32.500 0.066 0.000 1.064 419 K HN 0.000 nan 8.250 nan 0.000 0.543