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 2odo_1_C DATA FIRST_RESID 1 DATA SEQUENCE MRPARALIDL QALRHNYQLA REVTGAKALA VIXADAYGHG AVRCAQALEA DATA SEQUENCE EADGFAVACI EEALELRAAG IRAPILLLEG FFEADELPLI VEHDFWCVVH DATA SEQUENCE SLWQLDAIEQ ARLAKPIHVW LXLDSGMHRV GLHPNDYKAA YQRLQASANV DATA SEQUENCE AKIVLMSHFA RADELDCTRS VEQVAVFLGA RADLTAEISL RNSPAVLGWP DATA SEQUENCE RVPSDWVRPG LMLYGSSPFD EPQATASRLQ PVMTLESKVI CVRELPAGEP DATA SEQUENCE VGYGARFITP KPMRIGVVAM GYADGYPRQA PTGTPVFVDG VRSQLLGRVS DATA SEQUENCE MDMLCIDLTD VPQAGLGSTV ELWGKNILAS EVATAADTIP YQIFCNLKRV DATA SEQUENCE PRLYSG VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.284 176.300 -0.027 0.000 1.140 1 M CA 0.000 55.288 55.300 -0.021 0.000 0.988 1 M CB 0.000 32.589 32.600 -0.019 0.000 1.302 2 R N 3.133 123.615 120.500 -0.030 0.000 2.484 2 R HA 0.225 4.565 4.340 0.000 0.000 0.293 2 R C -1.233 175.042 176.300 -0.042 0.000 1.023 2 R CA -0.614 55.464 56.100 -0.038 0.000 1.037 2 R CB 0.497 30.773 30.300 -0.041 0.000 0.951 2 R HN 0.338 nan 8.270 nan 0.000 0.418 3 P HA -0.020 nan 4.420 nan 0.000 0.237 3 P C -0.354 176.909 177.300 -0.062 0.000 1.178 3 P CA 0.318 63.389 63.100 -0.049 0.000 0.766 3 P CB 0.268 31.939 31.700 -0.049 0.000 0.876 4 A N 2.095 124.873 122.820 -0.070 0.000 2.491 4 A HA 0.308 4.628 4.320 0.000 0.000 0.261 4 A C 0.642 178.176 177.584 -0.084 0.000 1.101 4 A CA -0.078 51.906 52.037 -0.088 0.000 0.772 4 A CB -0.351 18.594 19.000 -0.091 0.000 1.043 4 A HN 0.316 nan 8.150 nan 0.000 0.501 5 R N 1.345 121.785 120.500 -0.099 0.000 2.668 5 R HA 0.735 5.075 4.340 0.000 0.000 0.272 5 R C -1.028 175.199 176.300 -0.121 0.000 1.019 5 R CA -0.549 55.494 56.100 -0.096 0.000 0.894 5 R CB 1.764 32.018 30.300 -0.078 0.000 1.228 5 R HN 0.798 nan 8.270 nan 0.000 0.460 6 A N 3.915 126.660 122.820 -0.125 0.000 2.273 6 A HA 0.516 4.836 4.320 0.000 0.000 0.315 6 A C -0.509 176.986 177.584 -0.149 0.000 1.256 6 A CA -0.892 51.063 52.037 -0.137 0.000 0.851 6 A CB 0.749 19.669 19.000 -0.133 0.000 1.172 6 A HN 0.634 nan 8.150 nan 0.000 0.508 7 L N 4.200 125.358 121.223 -0.108 0.000 2.257 7 L HA 0.366 4.706 4.340 0.000 0.000 0.290 7 L C -0.605 176.221 176.870 -0.072 0.000 1.044 7 L CA -0.513 54.269 54.840 -0.096 0.000 0.810 7 L CB 0.872 42.901 42.059 -0.050 0.000 1.193 7 L HN 0.494 nan 8.230 nan 0.000 0.425 8 I N 2.698 123.188 120.570 -0.134 0.000 2.307 8 I HA 0.152 4.322 4.170 0.000 0.000 0.289 8 I C -0.015 176.132 176.117 0.050 0.000 1.021 8 I CA -0.209 61.066 61.300 -0.041 0.000 1.224 8 I CB 1.222 39.123 38.000 -0.165 0.000 1.376 8 I HN 0.502 nan 8.210 nan 0.000 0.470 9 D N 6.915 127.364 120.400 0.081 0.000 2.422 9 D HA 0.212 4.852 4.640 0.000 0.000 0.227 9 D C 1.062 177.417 176.300 0.092 0.000 1.190 9 D CA -0.136 53.909 54.000 0.075 0.000 0.905 9 D CB 0.819 41.652 40.800 0.055 0.000 1.034 9 D HN 0.420 nan 8.370 nan 0.000 0.507 10 L N 2.349 123.637 121.223 0.109 0.000 2.217 10 L HA -0.080 4.260 4.340 0.000 0.000 0.211 10 L C 2.351 179.261 176.870 0.067 0.000 1.107 10 L CA 0.559 55.459 54.840 0.100 0.000 0.783 10 L CB -0.139 41.987 42.059 0.112 0.000 0.919 10 L HN 0.451 nan 8.230 nan 0.000 0.442 11 Q N 0.270 120.106 119.800 0.061 0.000 2.167 11 Q HA -0.158 4.182 4.340 0.000 0.000 0.202 11 Q C 2.224 178.265 176.000 0.068 0.000 0.970 11 Q CA 1.555 57.392 55.803 0.056 0.000 0.855 11 Q CB 0.127 28.890 28.738 0.041 0.000 0.911 11 Q HN 0.530 nan 8.270 nan 0.000 0.438 12 A N 0.601 123.454 122.820 0.054 0.000 1.929 12 A HA -0.132 4.188 4.320 0.000 0.000 0.216 12 A C 2.025 179.658 177.584 0.082 0.000 1.176 12 A CA 0.905 52.977 52.037 0.058 0.000 0.628 12 A CB -0.533 18.485 19.000 0.030 0.000 0.816 12 A HN 0.397 nan 8.150 nan 0.000 0.444 13 L N -0.103 121.146 121.223 0.044 0.000 2.046 13 L HA -0.138 4.202 4.340 0.000 0.000 0.208 13 L C 2.455 179.341 176.870 0.026 0.000 1.077 13 L CA 1.889 56.723 54.840 -0.009 0.000 0.747 13 L CB -0.427 41.619 42.059 -0.022 0.000 0.896 13 L HN 0.319 nan 8.230 nan 0.000 0.432 14 R N -1.446 119.090 120.500 0.059 0.000 2.081 14 R HA -0.210 4.130 4.340 0.000 0.000 0.235 14 R C 2.412 178.784 176.300 0.121 0.000 1.131 14 R CA 1.464 57.614 56.100 0.083 0.000 0.960 14 R CB -0.782 29.561 30.300 0.072 0.000 0.856 14 R HN 0.603 nan 8.270 nan 0.000 0.436 15 H N 0.965 120.054 119.070 0.031 0.000 2.353 15 H HA -0.051 4.505 4.556 0.000 0.000 0.300 15 H C 1.298 176.633 175.328 0.012 0.000 1.090 15 H CA 1.436 57.497 56.048 0.022 0.000 1.327 15 H CB 0.216 29.985 29.762 0.012 0.000 1.383 15 H HN 0.149 nan 8.280 nan 0.000 0.508 16 N N 0.265 118.994 118.700 0.047 0.000 2.188 16 N HA -0.158 4.582 4.740 0.000 0.000 0.184 16 N C 1.883 177.353 175.510 -0.068 0.000 1.018 16 N CA 0.892 53.923 53.050 -0.032 0.000 0.858 16 N CB -0.790 37.685 38.487 -0.019 0.000 0.989 16 N HN 0.456 nan 8.380 nan 0.000 0.426 17 Y N 1.795 122.015 120.300 -0.134 0.000 2.242 17 Y HA -0.102 4.448 4.550 0.000 0.000 0.291 17 Y C 2.215 178.048 175.900 -0.112 0.000 1.137 17 Y CA 1.510 59.537 58.100 -0.121 0.000 1.181 17 Y CB -0.080 38.320 38.460 -0.100 0.000 0.989 17 Y HN 0.068 nan 8.280 nan 0.000 0.527 18 Q N -0.126 119.624 119.800 -0.083 0.000 2.224 18 Q HA -0.153 4.187 4.340 0.000 0.000 0.203 18 Q C 2.249 178.110 176.000 -0.231 0.000 0.970 18 Q CA 1.482 57.191 55.803 -0.156 0.000 0.865 18 Q CB -0.148 28.544 28.738 -0.076 0.000 0.922 18 Q HN 0.553 nan 8.270 nan 0.000 0.445 19 L N 0.013 121.079 121.223 -0.263 0.000 2.141 19 L HA -0.123 4.217 4.340 0.000 0.000 0.209 19 L C 2.184 178.945 176.870 -0.183 0.000 1.094 19 L CA 0.986 55.688 54.840 -0.229 0.000 0.763 19 L CB -0.240 41.674 42.059 -0.242 0.000 0.908 19 L HN 0.181 nan 8.230 nan 0.000 0.437 20 A N -0.182 122.504 122.820 -0.225 0.000 1.933 20 A HA -0.227 4.093 4.320 0.000 0.000 0.218 20 A C 2.343 179.797 177.584 -0.217 0.000 1.175 20 A CA 1.675 53.586 52.037 -0.210 0.000 0.628 20 A CB -0.470 18.367 19.000 -0.271 0.000 0.814 20 A HN 0.430 nan 8.150 nan 0.000 0.444 21 R N -0.857 119.468 120.500 -0.292 0.000 2.066 21 R HA -0.105 4.235 4.340 0.000 0.000 0.232 21 R C 2.373 178.586 176.300 -0.145 0.000 1.131 21 R CA 1.378 57.341 56.100 -0.228 0.000 0.955 21 R CB -0.310 29.841 30.300 -0.249 0.000 0.851 21 R HN 0.778 nan 8.270 nan 0.000 0.432 22 E N 0.529 120.648 120.200 -0.135 0.000 2.038 22 E HA -0.179 4.171 4.350 0.000 0.000 0.195 22 E C 1.809 178.366 176.600 -0.072 0.000 1.000 22 E CA 1.621 57.964 56.400 -0.094 0.000 0.803 22 E CB 0.167 29.810 29.700 -0.094 0.000 0.750 22 E HN 0.108 nan 8.360 nan 0.000 0.448 23 V N 0.092 119.964 119.914 -0.070 0.000 2.548 23 V HA -0.144 3.976 4.120 0.000 0.000 0.249 23 V C 2.384 178.459 176.094 -0.031 0.000 1.055 23 V CA 1.957 64.231 62.300 -0.043 0.000 1.065 23 V CB -0.301 31.503 31.823 -0.032 0.000 0.681 23 V HN 0.341 nan 8.190 nan 0.000 0.462 24 T N -1.115 113.414 114.554 -0.041 0.000 3.031 24 T HA 0.223 4.573 4.350 0.000 0.000 0.254 24 T C 1.387 176.066 174.700 -0.035 0.000 1.060 24 T CA 1.103 63.189 62.100 -0.024 0.000 1.135 24 T CB -0.121 68.738 68.868 -0.015 0.000 0.896 24 T HN 0.797 nan 8.240 nan 0.000 0.472 25 G N 1.266 110.030 108.800 -0.060 0.000 2.221 25 G HA2 0.056 4.016 3.960 0.000 0.000 0.265 25 G HA3 0.056 4.016 3.960 0.000 0.000 0.265 25 G C 0.069 174.920 174.900 -0.082 0.000 1.041 25 G CA 0.288 45.349 45.100 -0.065 0.000 0.807 25 G HN 1.002 nan 8.290 nan 0.000 0.502 26 A N -1.216 121.540 122.820 -0.106 0.000 2.569 26 A HA 0.884 5.204 4.320 0.000 0.000 0.290 26 A C -0.061 177.397 177.584 -0.210 0.000 1.136 26 A CA -0.670 51.278 52.037 -0.148 0.000 0.710 26 A CB 1.002 19.944 19.000 -0.097 0.000 1.303 26 A HN 0.358 nan 8.150 nan 0.000 0.413 27 K N 0.340 120.521 120.400 -0.364 0.000 2.401 27 K HA 0.497 4.817 4.320 0.000 0.000 0.278 27 K C -0.107 176.396 176.600 -0.163 0.000 1.018 27 K CA 0.937 56.949 56.287 -0.459 0.000 0.981 27 K CB 0.885 32.658 32.500 -1.212 0.000 0.933 27 K HN 0.886 nan 8.250 nan 0.000 0.477 28 A N 3.816 126.629 122.820 -0.012 0.000 2.319 28 A HA 0.446 4.766 4.320 0.000 0.000 0.310 28 A C -0.917 176.870 177.584 0.338 0.000 1.152 28 A CA -0.774 51.333 52.037 0.116 0.000 0.783 28 A CB 0.365 19.237 19.000 -0.213 0.000 1.184 28 A HN 0.649 nan 8.150 nan 0.000 0.474 29 L N 2.747 124.197 121.223 0.379 0.000 2.283 29 L HA 0.410 4.750 4.340 0.000 0.000 0.287 29 L C 0.932 177.928 176.870 0.210 0.000 1.073 29 L CA -0.272 54.722 54.840 0.257 0.000 0.822 29 L CB 1.311 43.477 42.059 0.179 0.000 1.186 29 L HN 0.820 nan 8.230 nan 0.000 0.436 30 A N 4.815 127.740 122.820 0.175 0.000 2.473 30 A HA 0.291 4.611 4.320 0.000 0.000 0.282 30 A C 0.154 177.868 177.584 0.216 0.000 1.163 30 A CA -0.387 51.768 52.037 0.197 0.000 0.827 30 A CB -0.215 18.850 19.000 0.108 0.000 1.098 30 A HN 0.457 nan 8.150 nan 0.000 0.515 31 V N 5.883 125.896 119.914 0.165 0.000 2.403 31 V HA 0.189 4.309 4.120 0.000 0.000 0.265 31 V C 0.573 176.819 176.094 0.253 0.000 1.034 31 V CA 0.541 62.961 62.300 0.199 0.000 1.036 31 V CB -1.185 30.774 31.823 0.227 0.000 1.032 31 V HN 0.727 nan 8.190 nan 0.000 0.478 35 D N 0.157 120.594 120.400 0.062 0.000 2.723 35 D HA -0.071 4.569 4.640 0.000 0.000 0.236 35 D C 0.638 177.017 176.300 0.131 0.000 1.138 35 D CA 2.086 56.129 54.000 0.073 0.000 0.676 35 D CB -1.435 39.400 40.800 0.058 0.000 1.069 35 D HN 2.269 nan 8.370 nan 0.000 0.430 36 A N 0.595 123.527 122.820 0.187 0.000 2.466 36 A HA -0.180 4.140 4.320 0.000 0.000 0.295 36 A C 0.727 178.414 177.584 0.173 0.000 1.465 36 A CA 1.281 53.489 52.037 0.285 0.000 0.744 36 A CB -2.174 16.991 19.000 0.275 0.000 1.098 36 A HN 1.193 nan 8.150 nan 0.000 0.402 37 Y N -2.811 117.408 120.300 -0.136 0.000 3.305 37 Y HA -0.141 4.409 4.550 -0.000 0.000 0.212 37 Y C 1.942 177.815 175.900 -0.044 0.000 1.248 37 Y CA 1.785 59.778 58.100 -0.179 0.000 1.359 37 Y CB -1.907 36.199 38.460 -0.590 0.000 1.407 37 Y HN 2.405 nan 8.280 nan 0.000 0.572 38 G N -1.633 107.238 108.800 0.118 0.000 2.168 38 G HA2 -0.420 3.540 3.960 0.000 0.000 0.263 38 G HA3 -0.420 3.540 3.960 0.000 0.000 0.263 38 G C 0.617 175.498 174.900 -0.030 0.000 0.977 38 G CA 0.756 45.886 45.100 0.051 0.000 0.659 38 G HN 0.662 nan 8.290 nan 0.000 0.533 39 H N -0.093 118.969 119.070 -0.015 0.000 2.562 39 H HA 0.446 5.002 4.556 -0.000 0.000 0.267 39 H C 1.656 177.096 175.328 0.188 0.000 0.959 39 H CA 1.451 57.528 56.048 0.049 0.000 1.204 39 H CB 0.662 30.451 29.762 0.046 0.000 1.430 39 H HN 1.461 nan 8.280 nan 0.000 0.545 40 G N 0.226 109.178 108.800 0.253 0.000 3.035 40 G HA2 0.038 3.998 3.960 0.000 0.000 0.674 40 G HA3 0.038 3.998 3.960 0.000 0.000 0.674 40 G C 0.815 175.785 174.900 0.117 0.000 1.159 40 G CA -0.054 45.175 45.100 0.216 0.000 1.098 40 G HN 0.475 nan 8.290 nan 0.000 0.473 41 A N 1.805 124.657 122.820 0.053 0.000 1.883 41 A HA 0.142 4.462 4.320 0.000 0.000 0.217 41 A C 2.656 180.162 177.584 -0.130 0.000 1.186 41 A CA 2.893 54.916 52.037 -0.023 0.000 0.624 41 A CB -0.375 18.605 19.000 -0.034 0.000 0.822 41 A HN 1.514 nan 8.150 nan 0.000 0.444 42 V N 0.195 120.033 119.914 -0.127 0.000 2.237 42 V HA -0.257 3.863 4.120 0.000 0.000 0.245 42 V C 2.715 178.679 176.094 -0.217 0.000 1.046 42 V CA 2.168 64.363 62.300 -0.175 0.000 1.007 42 V CB -0.814 30.929 31.823 -0.133 0.000 0.638 42 V HN 0.477 nan 8.190 nan 0.000 0.445 43 R N -0.764 119.578 120.500 -0.263 0.000 2.120 43 R HA -0.128 4.212 4.340 0.000 0.000 0.234 43 R C 2.286 178.439 176.300 -0.245 0.000 1.123 43 R CA 1.674 57.539 56.100 -0.392 0.000 0.975 43 R CB -1.063 28.657 30.300 -0.967 0.000 0.866 43 R HN 0.503 nan 8.270 nan 0.000 0.446 44 C N -0.099 119.120 119.300 -0.136 0.000 2.457 44 C HA 0.035 4.495 4.460 0.000 0.000 0.278 44 C C 2.866 177.778 174.990 -0.130 0.000 1.309 44 C CA 0.620 59.603 59.018 -0.059 0.000 1.735 44 C CB -0.844 26.919 27.740 0.037 0.000 1.992 44 C HN 0.533 nan 8.230 nan 0.000 0.493 45 A N -0.118 122.531 122.820 -0.286 0.000 1.930 45 A HA -0.212 4.108 4.320 0.000 0.000 0.217 45 A C 2.071 179.525 177.584 -0.217 0.000 1.175 45 A CA 1.382 53.087 52.037 -0.553 0.000 0.627 45 A CB -0.571 17.860 19.000 -0.948 0.000 0.815 45 A HN 0.725 nan 8.150 nan 0.000 0.443 46 Q N -0.697 118.997 119.800 -0.176 0.000 2.124 46 Q HA -0.095 4.245 4.340 0.000 0.000 0.202 46 Q C 2.325 178.294 176.000 -0.051 0.000 0.977 46 Q CA 1.363 57.107 55.803 -0.098 0.000 0.850 46 Q CB -0.344 28.321 28.738 -0.121 0.000 0.901 46 Q HN 0.684 nan 8.270 nan 0.000 0.429 47 A N 0.104 122.889 122.820 -0.059 0.000 2.066 47 A HA -0.070 4.250 4.320 0.000 0.000 0.218 47 A C 1.816 179.389 177.584 -0.017 0.000 1.157 47 A CA 0.925 52.944 52.037 -0.030 0.000 0.670 47 A CB -0.146 18.841 19.000 -0.022 0.000 0.804 47 A HN 0.277 nan 8.150 nan 0.000 0.453 48 L N -1.881 119.342 121.223 -0.001 0.000 2.470 48 L HA 0.076 4.416 4.340 0.000 0.000 0.219 48 L C 2.257 179.124 176.870 -0.005 0.000 1.071 48 L CA 0.624 55.438 54.840 -0.044 0.000 0.850 48 L CB -0.202 41.800 42.059 -0.094 0.000 1.040 48 L HN 0.478 nan 8.230 nan 0.000 0.475 49 E N 1.256 121.540 120.200 0.140 0.000 2.086 49 E HA -0.331 4.019 4.350 0.000 0.000 0.200 49 E C 2.171 178.785 176.600 0.024 0.000 1.012 49 E CA 1.710 58.196 56.400 0.142 0.000 0.812 49 E CB 0.023 29.811 29.700 0.146 0.000 0.743 49 E HN 0.476 nan 8.360 nan 0.000 0.453 50 A N 1.069 123.897 122.820 0.014 0.000 1.948 50 A HA -0.236 4.084 4.320 0.000 0.000 0.220 50 A C 1.712 179.297 177.584 0.002 0.000 1.177 50 A CA 2.034 54.075 52.037 0.008 0.000 0.636 50 A CB -0.424 18.581 19.000 0.009 0.000 0.815 50 A HN 0.596 nan 8.150 nan 0.000 0.449 51 E N -1.547 118.645 120.200 -0.013 0.000 2.758 51 E HA 0.579 4.929 4.350 0.000 0.000 0.215 51 E C 0.058 176.671 176.600 0.021 0.000 0.985 51 E CA 0.105 56.514 56.400 0.014 0.000 1.102 51 E CB 0.238 29.963 29.700 0.043 0.000 1.042 51 E HN 0.404 nan 8.360 nan 0.000 0.480 52 A N 0.886 123.644 122.820 -0.104 0.000 2.324 52 A HA 0.299 4.619 4.320 0.000 0.000 0.330 52 A C 0.316 177.831 177.584 -0.115 0.000 1.165 52 A CA -0.639 51.270 52.037 -0.214 0.000 0.813 52 A CB 0.928 19.513 19.000 -0.692 0.000 1.197 52 A HN 0.099 nan 8.150 nan 0.000 0.484 53 D N 0.988 121.418 120.400 0.050 0.000 2.224 53 D HA 0.215 4.855 4.640 0.000 0.000 0.205 53 D C 0.949 177.298 176.300 0.082 0.000 0.965 53 D CA 2.043 56.117 54.000 0.124 0.000 0.852 53 D CB 0.366 41.287 40.800 0.201 0.000 0.947 53 D HN 0.894 nan 8.370 nan 0.000 0.494 54 G N -0.836 107.837 108.800 -0.212 0.000 2.320 54 G HA2 0.349 4.309 3.960 0.000 0.000 0.297 54 G HA3 0.349 4.309 3.960 0.000 0.000 0.297 54 G C -1.841 172.652 174.900 -0.679 0.000 1.344 54 G CA -0.989 43.852 45.100 -0.432 0.000 0.851 54 G HN -0.020 nan 8.290 nan 0.000 0.567 55 F N -0.024 119.863 119.950 -0.105 0.000 2.593 55 F HA 0.874 5.401 4.527 -0.000 0.000 0.320 55 F C 0.550 176.275 175.800 -0.126 0.000 1.060 55 F CA -0.406 57.541 58.000 -0.088 0.000 0.940 55 F CB 2.635 41.577 39.000 -0.097 0.000 1.268 55 F HN 0.842 nan 8.300 nan 0.000 0.475 56 A N 1.317 124.212 122.820 0.125 0.000 2.374 56 A HA 0.890 5.210 4.320 0.000 0.000 0.305 56 A C -1.189 176.416 177.584 0.035 0.000 1.053 56 A CA -0.680 51.360 52.037 0.006 0.000 0.726 56 A CB 1.342 20.329 19.000 -0.022 0.000 1.229 56 A HN 0.993 nan 8.150 nan 0.000 0.431 57 V N -1.286 118.610 119.914 -0.029 0.000 3.141 57 V HA 0.897 5.017 4.120 0.000 0.000 0.312 57 V C 0.842 176.922 176.094 -0.024 0.000 1.157 57 V CA -0.071 62.220 62.300 -0.016 0.000 1.041 57 V CB 1.187 32.975 31.823 -0.059 0.000 1.071 57 V HN 1.490 nan 8.190 nan 0.000 0.441 58 A N -0.041 122.785 122.820 0.010 0.000 1.930 58 A HA 0.335 4.655 4.320 0.000 0.000 0.215 58 A C 1.137 178.786 177.584 0.109 0.000 1.176 58 A CA 1.464 53.529 52.037 0.045 0.000 0.632 58 A CB -0.703 18.332 19.000 0.058 0.000 0.819 58 A HN 1.786 nan 8.150 nan 0.000 0.445 59 C N -4.327 115.031 119.300 0.097 0.000 3.259 59 C HA 0.714 5.174 4.460 0.000 0.000 0.328 59 C C 1.412 176.420 174.990 0.030 0.000 1.425 59 C CA -0.420 58.724 59.018 0.210 0.000 1.465 59 C CB 0.675 28.580 27.740 0.276 0.000 1.890 59 C HN 0.448 nan 8.230 nan 0.000 0.450 60 I N 1.619 122.234 120.570 0.075 0.000 2.439 60 I HA -0.110 4.060 4.170 0.000 0.000 0.251 60 I C 2.653 178.729 176.117 -0.068 0.000 1.139 60 I CA 1.633 62.897 61.300 -0.061 0.000 1.438 60 I CB -0.112 37.931 38.000 0.072 0.000 1.085 60 I HN 0.860 nan 8.210 nan 0.000 0.427 61 E N 0.498 120.699 120.200 0.001 0.000 2.204 61 E HA -0.274 4.076 4.350 0.000 0.000 0.195 61 E C 1.590 178.164 176.600 -0.044 0.000 0.990 61 E CA 1.226 57.619 56.400 -0.012 0.000 0.821 61 E CB -0.507 29.194 29.700 0.002 0.000 0.750 61 E HN 0.647 nan 8.360 nan 0.000 0.477 62 E N 0.933 121.097 120.200 -0.059 0.000 2.152 62 E HA -0.013 4.337 4.350 0.000 0.000 0.192 62 E C 2.074 178.597 176.600 -0.128 0.000 0.983 62 E CA 0.854 57.209 56.400 -0.075 0.000 0.818 62 E CB -0.019 29.649 29.700 -0.055 0.000 0.758 62 E HN 0.359 nan 8.360 nan 0.000 0.467 63 A N 1.022 123.707 122.820 -0.225 0.000 1.929 63 A HA -0.069 4.251 4.320 0.000 0.000 0.216 63 A C 2.111 179.603 177.584 -0.154 0.000 1.176 63 A CA 0.678 52.493 52.037 -0.370 0.000 0.628 63 A CB -0.410 17.994 19.000 -0.995 0.000 0.816 63 A HN 0.115 nan 8.150 nan 0.000 0.444 64 L N -0.685 120.483 121.223 -0.093 0.000 2.201 64 L HA -0.134 4.206 4.340 0.000 0.000 0.212 64 L C 2.517 179.355 176.870 -0.053 0.000 1.105 64 L CA 1.404 56.226 54.840 -0.030 0.000 0.775 64 L CB -0.384 41.661 42.059 -0.023 0.000 0.913 64 L HN 0.561 nan 8.230 nan 0.000 0.440 65 E N 0.721 120.887 120.200 -0.057 0.000 2.150 65 E HA -0.179 4.171 4.350 0.000 0.000 0.193 65 E C 2.296 178.857 176.600 -0.066 0.000 0.985 65 E CA 0.786 57.153 56.400 -0.055 0.000 0.814 65 E CB 0.117 29.784 29.700 -0.054 0.000 0.752 65 E HN 0.506 nan 8.360 nan 0.000 0.466 66 L N 0.239 121.416 121.223 -0.076 0.000 2.109 66 L HA -0.085 4.255 4.340 0.000 0.000 0.207 66 L C 2.637 179.479 176.870 -0.048 0.000 1.086 66 L CA 0.511 55.296 54.840 -0.091 0.000 0.760 66 L CB -0.255 41.731 42.059 -0.122 0.000 0.910 66 L HN -0.004 nan 8.230 nan 0.000 0.437 67 R N 0.383 120.875 120.500 -0.014 0.000 2.090 67 R HA -0.005 4.335 4.340 0.000 0.000 0.228 67 R C 2.275 178.560 176.300 -0.026 0.000 1.110 67 R CA 1.312 57.403 56.100 -0.015 0.000 0.973 67 R CB -0.866 29.388 30.300 -0.078 0.000 0.869 67 R HN 0.304 nan 8.270 nan 0.000 0.440 68 A N 0.842 123.638 122.820 -0.039 0.000 2.015 68 A HA 0.021 4.341 4.320 0.000 0.000 0.219 68 A C 2.073 179.642 177.584 -0.025 0.000 1.163 68 A CA 1.546 53.568 52.037 -0.025 0.000 0.646 68 A CB -0.265 18.719 19.000 -0.027 0.000 0.806 68 A HN 0.298 nan 8.150 nan 0.000 0.448 69 A N -1.919 120.878 122.820 -0.039 0.000 2.251 69 A HA 0.433 4.753 4.320 0.000 0.000 0.209 69 A C 1.616 179.175 177.584 -0.041 0.000 1.187 69 A CA 1.104 53.113 52.037 -0.047 0.000 0.823 69 A CB -0.678 18.280 19.000 -0.070 0.000 0.846 69 A HN 1.831 nan 8.150 nan 0.000 0.486 70 G N -0.585 108.198 108.800 -0.028 0.000 2.130 70 G HA2 -0.149 3.811 3.960 0.000 0.000 0.216 70 G HA3 -0.149 3.811 3.960 0.000 0.000 0.216 70 G C -0.149 174.742 174.900 -0.016 0.000 0.999 70 G CA -0.015 45.075 45.100 -0.017 0.000 0.686 70 G HN 0.282 nan 8.290 nan 0.000 0.515 71 I N 1.435 121.990 120.570 -0.025 0.000 2.352 71 I HA 0.321 4.491 4.170 0.000 0.000 0.290 71 I C 1.306 177.437 176.117 0.024 0.000 1.036 71 I CA -0.263 61.031 61.300 -0.010 0.000 1.336 71 I CB 1.045 39.003 38.000 -0.070 0.000 1.407 71 I HN 0.407 nan 8.210 nan 0.000 0.497 72 R N 4.844 125.366 120.500 0.037 0.000 2.662 72 R HA 0.488 4.828 4.340 0.000 0.000 0.396 72 R C -0.136 176.175 176.300 0.019 0.000 1.096 72 R CA -0.390 55.724 56.100 0.024 0.000 1.081 72 R CB -0.023 30.283 30.300 0.010 0.000 1.382 72 R HN 0.460 nan 8.270 nan 0.000 0.580 73 A N 2.399 125.259 122.820 0.066 0.000 2.313 73 A HA 0.550 4.870 4.320 0.000 0.000 0.261 73 A C -2.241 175.288 177.584 -0.092 0.000 1.090 73 A CA -1.417 50.628 52.037 0.013 0.000 0.807 73 A CB -0.012 19.033 19.000 0.074 0.000 1.055 73 A HN 0.186 nan 8.150 nan 0.000 0.492 74 P HA 0.320 nan 4.420 nan 0.000 0.271 74 P C -1.018 175.955 177.300 -0.546 0.000 1.220 74 P CA 0.515 63.190 63.100 -0.709 0.000 0.768 74 P CB 0.290 31.194 31.700 -1.328 0.000 0.848 75 I N 3.516 123.822 120.570 -0.440 0.000 2.389 75 I HA 0.287 4.457 4.170 0.000 0.000 0.288 75 I C -0.263 175.711 176.117 -0.239 0.000 0.999 75 I CA -1.029 60.155 61.300 -0.193 0.000 1.129 75 I CB 1.566 39.569 38.000 0.005 0.000 1.288 75 I HN 0.149 nan 8.210 nan 0.000 0.444 76 L N 7.834 128.909 121.223 -0.247 0.000 2.275 76 L HA 0.468 4.808 4.340 0.000 0.000 0.288 76 L C -0.674 176.079 176.870 -0.196 0.000 1.046 76 L CA -0.097 54.603 54.840 -0.233 0.000 0.805 76 L CB 1.006 42.780 42.059 -0.476 0.000 1.193 76 L HN 0.453 nan 8.230 nan 0.000 0.426 77 L N 6.931 128.067 121.223 -0.146 0.000 2.312 77 L HA 0.171 4.511 4.340 0.000 0.000 0.287 77 L C 1.196 177.993 176.870 -0.123 0.000 1.091 77 L CA -0.168 54.590 54.840 -0.137 0.000 0.846 77 L CB 0.524 42.521 42.059 -0.104 0.000 1.219 77 L HN 0.790 nan 8.230 nan 0.000 0.439 78 L N 2.127 123.280 121.223 -0.116 0.000 2.191 78 L HA -0.161 4.179 4.340 0.000 0.000 0.212 78 L C 1.634 178.447 176.870 -0.096 0.000 1.103 78 L CA 1.489 56.265 54.840 -0.107 0.000 0.769 78 L CB -0.075 41.930 42.059 -0.090 0.000 0.908 78 L HN 0.688 nan 8.230 nan 0.000 0.438 79 E N -1.196 118.934 120.200 -0.118 0.000 2.498 79 E HA 0.214 4.564 4.350 0.000 0.000 0.203 79 E C 1.037 177.490 176.600 -0.244 0.000 1.013 79 E CA 0.322 56.623 56.400 -0.166 0.000 0.927 79 E CB 0.665 30.266 29.700 -0.166 0.000 1.012 79 E HN 0.410 nan 8.360 nan 0.000 0.482 80 G N 1.905 110.569 108.800 -0.227 0.000 2.539 80 G HA2 -0.319 3.641 3.960 0.000 0.000 0.256 80 G HA3 -0.319 3.641 3.960 0.000 0.000 0.256 80 G C -0.230 174.470 174.900 -0.333 0.000 1.233 80 G CA -0.031 44.919 45.100 -0.251 0.000 0.936 80 G HN 0.290 nan 8.290 nan 0.000 0.571 81 F N -0.893 118.882 119.950 -0.292 0.000 2.399 81 F HA 0.807 5.334 4.527 0.000 0.000 0.334 81 F C 0.850 176.533 175.800 -0.196 0.000 1.097 81 F CA -1.321 56.557 58.000 -0.204 0.000 1.076 81 F CB 0.805 39.779 39.000 -0.043 0.000 1.162 81 F HN 0.206 nan 8.300 nan 0.000 0.495 82 F N -0.021 120.129 119.950 0.333 0.000 2.446 82 F HA 0.252 4.779 4.527 -0.000 0.000 0.292 82 F C 0.816 176.898 175.800 0.469 0.000 1.096 82 F CA 0.257 58.474 58.000 0.361 0.000 1.438 82 F CB 0.029 39.161 39.000 0.220 0.000 1.107 82 F HN 0.452 nan 8.300 nan 0.000 0.546 83 E N -0.782 119.787 120.200 0.616 0.000 2.312 83 E HA 0.524 4.874 4.350 0.000 0.000 0.267 83 E C 0.492 177.365 176.600 0.455 0.000 0.894 83 E CA -0.313 56.376 56.400 0.481 0.000 0.773 83 E CB 2.063 31.941 29.700 0.296 0.000 1.241 83 E HN -0.033 nan 8.360 nan 0.000 0.432 84 A N 2.012 125.032 122.820 0.333 0.000 1.933 84 A HA -0.171 4.149 4.320 0.000 0.000 0.218 84 A C 1.379 178.936 177.584 -0.045 0.000 1.175 84 A CA 1.760 53.858 52.037 0.103 0.000 0.628 84 A CB -0.359 18.722 19.000 0.135 0.000 0.814 84 A HN 0.716 nan 8.150 nan 0.000 0.444 85 D N -0.348 120.078 120.400 0.043 0.000 2.338 85 D HA -0.050 4.590 4.640 0.000 0.000 0.239 85 D C 0.935 177.255 176.300 0.033 0.000 1.095 85 D CA 0.444 54.457 54.000 0.022 0.000 0.888 85 D CB -0.303 40.524 40.800 0.046 0.000 0.899 85 D HN 0.630 nan 8.370 nan 0.000 0.525 86 E N 0.162 120.383 120.200 0.036 0.000 2.299 86 E HA 0.038 4.388 4.350 0.000 0.000 0.193 86 E C 2.110 178.718 176.600 0.014 0.000 0.998 86 E CA -0.063 56.385 56.400 0.079 0.000 0.851 86 E CB 0.165 29.975 29.700 0.183 0.000 0.795 86 E HN 0.277 nan 8.360 nan 0.000 0.492 87 L N 1.593 122.734 121.223 -0.137 0.000 2.012 87 L HA -0.166 4.174 4.340 0.000 0.000 0.210 87 L C -0.565 176.276 176.870 -0.049 0.000 1.073 87 L CA 1.370 56.112 54.840 -0.163 0.000 0.748 87 L CB -1.358 40.522 42.059 -0.298 0.000 0.891 87 L HN 0.158 nan 8.230 nan 0.000 0.431 88 P HA -0.193 nan 4.420 nan 0.000 0.218 88 P C 1.793 179.096 177.300 0.006 0.000 1.148 88 P CA 1.566 64.656 63.100 -0.018 0.000 0.822 88 P CB 0.043 31.736 31.700 -0.012 0.000 0.784 89 L N -1.359 119.906 121.223 0.070 0.000 2.156 89 L HA -0.055 4.285 4.340 0.000 0.000 0.208 89 L C 2.710 179.703 176.870 0.205 0.000 1.095 89 L CA 0.930 55.870 54.840 0.166 0.000 0.770 89 L CB -0.688 41.518 42.059 0.245 0.000 0.914 89 L HN -0.157 nan 8.230 nan 0.000 0.439 90 I N -1.176 119.514 120.570 0.199 0.000 2.252 90 I HA -0.215 3.955 4.170 0.000 0.000 0.245 90 I C 2.325 178.471 176.117 0.048 0.000 1.102 90 I CA 0.831 62.283 61.300 0.254 0.000 1.385 90 I CB -0.209 37.940 38.000 0.247 0.000 1.064 90 I HN -0.008 nan 8.210 nan 0.000 0.414 91 V N 0.832 120.749 119.914 0.004 0.000 2.323 91 V HA -0.249 3.871 4.120 0.000 0.000 0.244 91 V C 2.527 178.548 176.094 -0.123 0.000 1.041 91 V CA 2.070 64.348 62.300 -0.036 0.000 1.025 91 V CB -0.670 31.135 31.823 -0.031 0.000 0.656 91 V HN 0.455 nan 8.190 nan 0.000 0.451 92 E N 0.318 120.410 120.200 -0.180 0.000 2.130 92 E HA -0.259 4.091 4.350 0.000 0.000 0.196 92 E C 1.872 178.153 176.600 -0.532 0.000 0.998 92 E CA 1.857 58.051 56.400 -0.343 0.000 0.806 92 E CB -0.229 29.232 29.700 -0.398 0.000 0.738 92 E HN 0.740 nan 8.360 nan 0.000 0.459 93 H N -0.629 118.211 119.070 -0.383 0.000 2.594 93 H HA 0.141 4.697 4.556 0.000 0.000 0.279 93 H C -0.087 174.807 175.328 -0.724 0.000 1.042 93 H CA 0.621 56.283 56.048 -0.643 0.000 1.177 93 H CB 0.130 29.264 29.762 -1.047 0.000 1.524 93 H HN 0.242 nan 8.280 nan 0.000 0.537 94 D N 0.587 120.783 120.400 -0.341 0.000 2.697 94 D HA -0.218 4.422 4.640 0.000 0.000 0.238 94 D C -0.909 175.332 176.300 -0.099 0.000 1.152 94 D CA 0.191 54.104 54.000 -0.144 0.000 0.666 94 D CB -1.580 39.172 40.800 -0.080 0.000 1.037 94 D HN 0.047 nan 8.370 nan 0.000 0.423 95 F N 0.193 120.190 119.950 0.079 0.000 2.389 95 F HA 0.447 4.974 4.527 0.000 0.000 0.337 95 F C 0.903 176.830 175.800 0.211 0.000 1.112 95 F CA -0.683 57.341 58.000 0.041 0.000 1.192 95 F CB 0.460 39.494 39.000 0.056 0.000 1.185 95 F HN -0.028 nan 8.300 nan 0.000 0.552 96 W N 2.342 123.731 121.300 0.148 0.000 2.315 96 W HA 0.433 5.093 4.660 -0.000 0.000 0.316 96 W C -0.144 176.385 176.519 0.016 0.000 1.211 96 W CA -1.424 55.952 57.345 0.051 0.000 1.201 96 W CB 0.964 30.350 29.460 -0.123 0.000 1.184 96 W HN 0.350 nan 8.180 nan 0.000 0.544 97 C N 3.662 123.144 119.300 0.303 0.000 2.456 97 C HA 0.731 5.191 4.460 0.000 0.000 0.325 97 C C -0.184 174.898 174.990 0.154 0.000 1.217 97 C CA -0.479 58.655 59.018 0.194 0.000 1.687 97 C CB 0.544 28.428 27.740 0.241 0.000 2.270 97 C HN 0.341 nan 8.230 nan 0.000 0.499 98 V N 6.204 126.154 119.914 0.061 0.000 2.394 98 V HA 0.397 4.517 4.120 0.000 0.000 0.282 98 V C -0.087 175.981 176.094 -0.044 0.000 1.031 98 V CA -0.271 62.070 62.300 0.068 0.000 0.881 98 V CB 1.603 33.453 31.823 0.045 0.000 0.982 98 V HN 0.703 nan 8.190 nan 0.000 0.451 99 V N 5.855 125.748 119.914 -0.035 0.000 2.347 99 V HA 0.335 4.455 4.120 0.000 0.000 0.280 99 V C 0.870 176.898 176.094 -0.109 0.000 1.021 99 V CA -0.372 61.807 62.300 -0.203 0.000 0.847 99 V CB 0.906 32.636 31.823 -0.156 0.000 0.990 99 V HN 1.054 nan 8.190 nan 0.000 0.444 100 H N 1.456 120.423 119.070 -0.173 0.000 2.874 100 H HA 0.385 4.941 4.556 0.000 0.000 0.264 100 H C 0.292 175.590 175.328 -0.050 0.000 1.007 100 H CA -0.239 55.767 56.048 -0.070 0.000 1.207 100 H CB 1.077 30.802 29.762 -0.061 0.000 1.487 100 H HN 0.511 nan 8.280 nan 0.000 0.505 101 S N 0.171 115.615 115.700 -0.428 0.000 2.627 101 S HA 0.344 4.814 4.470 0.000 0.000 0.283 101 S C 0.998 175.440 174.600 -0.263 0.000 1.127 101 S CA -0.752 57.326 58.200 -0.203 0.000 0.863 101 S CB 2.428 65.611 63.200 -0.027 0.000 1.121 101 S HN 0.125 nan 8.310 nan 0.000 0.479 102 L N 1.526 122.729 121.223 -0.034 0.000 2.217 102 L HA -0.039 4.301 4.340 0.000 0.000 0.211 102 L C 2.363 179.238 176.870 0.008 0.000 1.107 102 L CA 0.978 55.814 54.840 -0.006 0.000 0.783 102 L CB -0.242 41.859 42.059 0.071 0.000 0.919 102 L HN 0.809 nan 8.230 nan 0.000 0.442 103 W N 0.330 121.610 121.300 -0.034 0.000 2.467 103 W HA -0.119 4.541 4.660 -0.000 0.000 0.275 103 W C 1.668 178.184 176.519 -0.005 0.000 1.239 103 W CA 0.382 57.720 57.345 -0.012 0.000 1.266 103 W CB -0.843 28.612 29.460 -0.008 0.000 1.112 103 W HN 0.260 nan 8.180 nan 0.000 0.576 104 Q N 0.737 119.937 119.800 -0.999 0.000 2.172 104 Q HA -0.147 4.193 4.340 0.000 0.000 0.200 104 Q C 2.413 178.272 176.000 -0.235 0.000 0.964 104 Q CA 1.468 56.717 55.803 -0.923 0.000 0.855 104 Q CB -0.301 27.559 28.738 -1.463 0.000 0.918 104 Q HN 0.212 nan 8.270 nan 0.000 0.444 105 L N 1.212 122.307 121.223 -0.214 0.000 2.093 105 L HA -0.161 4.179 4.340 0.000 0.000 0.208 105 L C 1.311 178.175 176.870 -0.010 0.000 1.085 105 L CA 1.885 56.676 54.840 -0.080 0.000 0.755 105 L CB -0.350 41.663 42.059 -0.076 0.000 0.904 105 L HN 0.055 nan 8.230 nan 0.000 0.435 106 D N 0.026 120.438 120.400 0.020 0.000 2.144 106 D HA -0.123 4.517 4.640 0.000 0.000 0.199 106 D C 2.224 178.570 176.300 0.077 0.000 0.984 106 D CA 1.485 55.521 54.000 0.060 0.000 0.834 106 D CB -0.211 40.650 40.800 0.101 0.000 0.955 106 D HN 0.495 nan 8.370 nan 0.000 0.465 107 A N 0.526 123.421 122.820 0.125 0.000 1.933 107 A HA -0.114 4.206 4.320 0.000 0.000 0.218 107 A C 2.333 179.932 177.584 0.024 0.000 1.175 107 A CA 0.856 52.969 52.037 0.127 0.000 0.628 107 A CB -0.608 18.558 19.000 0.277 0.000 0.814 107 A HN 0.201 nan 8.150 nan 0.000 0.444 108 I N -1.038 119.553 120.570 0.035 0.000 2.286 108 I HA -0.183 3.987 4.170 0.000 0.000 0.245 108 I C 2.472 178.576 176.117 -0.021 0.000 1.104 108 I CA 1.448 62.736 61.300 -0.020 0.000 1.397 108 I CB -0.298 37.709 38.000 0.013 0.000 1.072 108 I HN 0.431 nan 8.210 nan 0.000 0.417 109 E N 0.565 120.760 120.200 -0.007 0.000 2.204 109 E HA -0.240 4.110 4.350 0.000 0.000 0.194 109 E C 2.117 178.711 176.600 -0.009 0.000 0.989 109 E CA 1.096 57.488 56.400 -0.014 0.000 0.824 109 E CB 0.193 29.888 29.700 -0.009 0.000 0.756 109 E HN 0.539 nan 8.360 nan 0.000 0.477 110 Q N -0.371 119.429 119.800 0.000 0.000 2.226 110 Q HA 0.181 4.521 4.340 0.000 0.000 0.199 110 Q C 0.399 176.394 176.000 -0.008 0.000 0.945 110 Q CA 0.365 56.169 55.803 0.003 0.000 0.861 110 Q CB 0.441 29.191 28.738 0.020 0.000 0.953 110 Q HN 0.101 nan 8.270 nan 0.000 0.490 111 A N 1.074 123.882 122.820 -0.020 0.000 2.351 111 A HA 0.383 4.703 4.320 0.000 0.000 0.257 111 A C -0.390 177.173 177.584 -0.035 0.000 1.087 111 A CA -0.216 51.801 52.037 -0.032 0.000 0.798 111 A CB 0.403 19.368 19.000 -0.059 0.000 1.033 111 A HN 0.053 nan 8.150 nan 0.000 0.488 112 R N 0.532 121.013 120.500 -0.031 0.000 2.255 112 R HA 0.557 4.897 4.340 0.000 0.000 0.326 112 R C -1.150 175.131 176.300 -0.033 0.000 0.986 112 R CA -0.344 55.739 56.100 -0.029 0.000 0.847 112 R CB 0.738 31.025 30.300 -0.021 0.000 1.111 112 R HN 0.518 nan 8.270 nan 0.000 0.452 113 L N 2.129 123.333 121.223 -0.033 0.000 2.322 113 L HA 0.479 4.819 4.340 0.000 0.000 0.279 113 L C 1.166 178.021 176.870 -0.025 0.000 1.036 113 L CA -0.112 54.709 54.840 -0.032 0.000 0.807 113 L CB 1.544 43.585 42.059 -0.031 0.000 1.226 113 L HN 0.804 nan 8.230 nan 0.000 0.433 114 A N 3.087 125.891 122.820 -0.026 0.000 1.930 114 A HA -0.027 4.293 4.320 0.000 0.000 0.217 114 A C 0.758 178.332 177.584 -0.017 0.000 1.175 114 A CA 1.348 53.371 52.037 -0.023 0.000 0.627 114 A CB -0.088 18.894 19.000 -0.030 0.000 0.815 114 A HN 0.660 nan 8.150 nan 0.000 0.443 115 K N -0.705 119.688 120.400 -0.012 0.000 2.477 115 K HA 0.440 4.760 4.320 0.000 0.000 0.255 115 K C -3.079 173.528 176.600 0.013 0.000 0.952 115 K CA -2.263 54.025 56.287 0.002 0.000 0.826 115 K CB 2.343 34.847 32.500 0.007 0.000 1.331 115 K HN -0.030 nan 8.250 nan 0.000 0.437 116 P HA 0.153 nan 4.420 nan 0.000 0.271 116 P C -0.682 176.663 177.300 0.074 0.000 1.218 116 P CA -0.215 62.898 63.100 0.021 0.000 0.780 116 P CB 0.423 32.122 31.700 -0.001 0.000 0.901 117 I N -1.546 119.070 120.570 0.077 0.000 2.863 117 I HA 0.478 4.648 4.170 0.000 0.000 0.311 117 I C 0.091 176.304 176.117 0.161 0.000 1.026 117 I CA -1.187 60.213 61.300 0.168 0.000 1.077 117 I CB 1.455 39.545 38.000 0.150 0.000 1.262 117 I HN 0.279 nan 8.210 nan 0.000 0.461 118 H N 2.544 121.642 119.070 0.046 0.000 2.620 118 H HA 0.423 4.979 4.556 -0.000 0.000 0.313 118 H C -0.904 174.457 175.328 0.057 0.000 1.075 118 H CA -0.592 55.409 56.048 -0.079 0.000 1.397 118 H CB 1.989 31.477 29.762 -0.457 0.000 1.446 118 H HN 0.343 nan 8.280 nan 0.000 0.493 119 V N 4.846 124.802 119.914 0.071 0.000 2.384 119 V HA 0.024 4.144 4.120 0.000 0.000 0.287 119 V C -0.778 175.397 176.094 0.136 0.000 1.020 119 V CA -0.731 61.638 62.300 0.114 0.000 0.850 119 V CB 0.998 32.822 31.823 0.002 0.000 0.987 119 V HN 0.705 nan 8.190 nan 0.000 0.436 120 W N 5.964 127.237 121.300 -0.045 0.000 2.289 120 W HA 0.550 5.210 4.660 -0.000 0.000 0.342 120 W C -0.034 176.496 176.519 0.017 0.000 0.958 120 W CA -0.591 56.736 57.345 -0.030 0.000 1.492 120 W CB 0.789 30.232 29.460 -0.029 0.000 1.336 120 W HN 0.397 nan 8.180 nan 0.000 0.371 124 D N 1.752 122.102 120.400 -0.083 0.000 2.374 124 D HA 0.205 4.845 4.640 0.000 0.000 0.240 124 D C 0.774 176.976 176.300 -0.163 0.000 1.229 124 D CA 0.244 54.193 54.000 -0.085 0.000 0.895 124 D CB 1.048 41.855 40.800 0.012 0.000 1.046 124 D HN 0.463 nan 8.370 nan 0.000 0.498 125 S N 1.873 117.455 115.700 -0.196 0.000 2.572 125 S HA 0.441 4.911 4.470 0.000 0.000 0.228 125 S C 1.263 175.726 174.600 -0.230 0.000 0.963 125 S CA 0.103 58.186 58.200 -0.195 0.000 0.939 125 S CB 0.678 63.783 63.200 -0.158 0.000 0.804 125 S HN 0.584 nan 8.310 nan 0.000 0.480 126 G N 1.178 109.766 108.800 -0.354 0.000 3.617 126 G HA2 -0.112 3.848 3.960 0.000 0.000 0.217 126 G HA3 -0.112 3.848 3.960 0.000 0.000 0.217 126 G C 0.701 175.230 174.900 -0.620 0.000 0.967 126 G CA 0.185 45.006 45.100 -0.465 0.000 0.878 126 G HN 0.281 nan 8.290 nan 0.000 0.439 127 M N 0.544 119.914 119.600 -0.383 0.000 2.229 127 M HA 0.097 4.577 4.480 0.000 0.000 0.264 127 M C 1.052 177.263 176.300 -0.149 0.000 1.063 127 M CA 1.883 57.052 55.300 -0.219 0.000 1.114 127 M CB -0.312 32.224 32.600 -0.107 0.000 1.387 127 M HN 0.400 nan 8.290 nan 0.000 0.420 128 H N -0.537 118.523 119.070 -0.016 0.000 2.791 128 H HA -0.201 4.355 4.556 -0.000 0.000 0.302 128 H C 0.776 176.106 175.328 0.004 0.000 1.198 128 H CA 1.226 57.273 56.048 -0.002 0.000 1.145 128 H CB -1.816 27.948 29.762 0.003 0.000 1.385 128 H HN 0.559 nan 8.280 nan 0.000 0.409 129 R N 0.347 120.890 120.500 0.072 0.000 1.852 129 R HA 0.348 4.688 4.340 0.000 0.000 0.161 129 R C 0.725 177.041 176.300 0.027 0.000 1.756 129 R CA 0.724 56.847 56.100 0.038 0.000 1.480 129 R CB 0.504 30.810 30.300 0.010 0.000 0.995 129 R HN 0.091 nan 8.270 nan 0.000 0.490 130 V N -1.452 118.446 119.914 -0.026 0.000 2.769 130 V HA 0.907 5.027 4.120 0.000 0.000 0.312 130 V C -0.227 175.889 176.094 0.036 0.000 1.058 130 V CA -0.160 62.114 62.300 -0.044 0.000 0.952 130 V CB 1.107 32.708 31.823 -0.370 0.000 1.019 130 V HN 0.846 nan 8.190 nan 0.000 0.445 131 G N 1.777 110.661 108.800 0.140 0.000 2.317 131 G HA2 0.229 4.189 3.960 0.000 0.000 0.445 131 G HA3 0.229 4.189 3.960 0.000 0.000 0.445 131 G C -1.347 173.642 174.900 0.149 0.000 1.486 131 G CA -0.769 44.414 45.100 0.138 0.000 0.991 131 G HN 0.984 nan 8.290 nan 0.000 0.660 132 L N 1.455 122.770 121.223 0.154 0.000 2.466 132 L HA 0.419 4.759 4.340 0.000 0.000 0.257 132 L C 1.181 178.139 176.870 0.146 0.000 1.189 132 L CA -1.070 53.877 54.840 0.179 0.000 0.813 132 L CB 0.795 43.004 42.059 0.250 0.000 1.118 132 L HN 0.693 nan 8.230 nan 0.000 0.471 133 H N 1.966 121.092 119.070 0.094 0.000 2.683 133 H HA 0.098 4.654 4.556 0.000 0.000 0.339 133 H C -1.855 173.508 175.328 0.059 0.000 1.081 133 H CA -1.600 54.489 56.048 0.069 0.000 1.432 133 H CB 1.834 31.636 29.762 0.067 0.000 1.462 133 H HN 0.283 nan 8.280 nan 0.000 0.557 134 P HA -0.181 nan 4.420 nan 0.000 0.218 134 P C 0.870 178.276 177.300 0.176 0.000 1.146 134 P CA 1.221 64.312 63.100 -0.016 0.000 0.820 134 P CB 0.430 32.051 31.700 -0.131 0.000 0.778 135 N N -0.800 118.123 118.700 0.372 0.000 2.188 135 N HA -0.107 4.633 4.740 0.000 0.000 0.184 135 N C 1.150 176.759 175.510 0.165 0.000 1.018 135 N CA 1.193 54.379 53.050 0.228 0.000 0.858 135 N CB -0.793 37.788 38.487 0.156 0.000 0.989 135 N HN 0.220 nan 8.380 nan 0.000 0.426 136 D N -0.666 119.854 120.400 0.200 0.000 2.323 136 D HA -0.057 4.583 4.640 0.000 0.000 0.209 136 D C 1.596 178.004 176.300 0.180 0.000 0.973 136 D CA 0.122 54.215 54.000 0.155 0.000 0.874 136 D CB -0.159 40.731 40.800 0.150 0.000 0.930 136 D HN 0.337 nan 8.370 nan 0.000 0.521 137 Y N 1.814 122.146 120.300 0.054 0.000 2.128 137 Y HA -0.249 4.301 4.550 0.000 0.000 0.284 137 Y C 2.500 178.416 175.900 0.027 0.000 1.154 137 Y CA 1.524 59.642 58.100 0.030 0.000 1.149 137 Y CB 0.274 38.729 38.460 -0.009 0.000 0.976 137 Y HN -0.192 nan 8.280 nan 0.000 0.505 138 K N -0.185 120.254 120.400 0.065 0.000 2.097 138 K HA -0.151 4.169 4.320 0.000 0.000 0.205 138 K C 2.112 178.724 176.600 0.020 0.000 1.050 138 K CA 0.964 57.243 56.287 -0.014 0.000 0.938 138 K CB -0.220 32.278 32.500 -0.003 0.000 0.718 138 K HN 0.363 nan 8.250 nan 0.000 0.442 139 A N 0.889 123.728 122.820 0.033 0.000 1.929 139 A HA -0.021 4.299 4.320 0.000 0.000 0.216 139 A C 2.252 179.843 177.584 0.011 0.000 1.176 139 A CA 1.557 53.610 52.037 0.026 0.000 0.628 139 A CB -0.557 18.460 19.000 0.030 0.000 0.816 139 A HN 0.420 nan 8.150 nan 0.000 0.444 140 A N -1.552 121.271 122.820 0.005 0.000 1.930 140 A HA -0.076 4.244 4.320 0.000 0.000 0.217 140 A C 2.106 179.655 177.584 -0.060 0.000 1.175 140 A CA 1.527 53.549 52.037 -0.026 0.000 0.627 140 A CB -0.763 18.227 19.000 -0.016 0.000 0.815 140 A HN 0.710 nan 8.150 nan 0.000 0.443 141 Y N 0.498 120.670 120.300 -0.213 0.000 2.181 141 Y HA -0.239 4.311 4.550 0.000 0.000 0.288 141 Y C 2.484 178.293 175.900 -0.151 0.000 1.146 141 Y CA 2.349 60.310 58.100 -0.231 0.000 1.164 141 Y CB -0.267 38.010 38.460 -0.306 0.000 0.982 141 Y HN 0.414 nan 8.280 nan 0.000 0.515 142 Q N -0.324 119.479 119.800 0.004 0.000 2.167 142 Q HA -0.156 4.184 4.340 0.000 0.000 0.202 142 Q C 2.277 178.211 176.000 -0.110 0.000 0.970 142 Q CA 1.353 57.126 55.803 -0.050 0.000 0.855 142 Q CB -0.102 28.650 28.738 0.023 0.000 0.911 142 Q HN 0.477 nan 8.270 nan 0.000 0.438 143 R N 0.100 120.545 120.500 -0.091 0.000 2.092 143 R HA -0.074 4.266 4.340 0.000 0.000 0.231 143 R C 2.132 178.357 176.300 -0.125 0.000 1.119 143 R CA 0.916 56.965 56.100 -0.086 0.000 0.970 143 R CB -0.123 30.144 30.300 -0.056 0.000 0.864 143 R HN 0.222 nan 8.270 nan 0.000 0.440 144 L N 0.073 121.185 121.223 -0.186 0.000 2.109 144 L HA -0.134 4.206 4.340 0.000 0.000 0.207 144 L C 2.627 179.334 176.870 -0.272 0.000 1.086 144 L CA 1.147 55.854 54.840 -0.222 0.000 0.760 144 L CB -0.281 41.618 42.059 -0.266 0.000 0.910 144 L HN 0.210 nan 8.230 nan 0.000 0.437 145 Q N 0.096 119.677 119.800 -0.366 0.000 2.167 145 Q HA -0.087 4.253 4.340 0.000 0.000 0.202 145 Q C 1.271 177.154 176.000 -0.194 0.000 0.970 145 Q CA 1.271 56.868 55.803 -0.344 0.000 0.855 145 Q CB 0.102 28.594 28.738 -0.410 0.000 0.911 145 Q HN 0.480 nan 8.270 nan 0.000 0.438 146 A N -0.436 122.294 122.820 -0.149 0.000 3.003 146 A HA 0.239 4.559 4.320 0.000 0.000 0.301 146 A C 0.856 178.389 177.584 -0.084 0.000 1.280 146 A CA -0.016 51.962 52.037 -0.098 0.000 0.973 146 A CB 0.251 19.207 19.000 -0.073 0.000 1.110 146 A HN 0.228 nan 8.150 nan 0.000 0.590 147 S N -0.536 115.107 115.700 -0.096 0.000 2.527 147 S HA 0.367 4.837 4.470 0.000 0.000 0.227 147 S C 1.486 176.048 174.600 -0.064 0.000 1.059 147 S CA 1.414 59.568 58.200 -0.076 0.000 0.919 147 S CB -0.077 63.072 63.200 -0.084 0.000 0.805 147 S HN 1.980 nan 8.310 nan 0.000 0.500 148 A N 1.012 123.789 122.820 -0.071 0.000 3.413 148 A HA -0.252 4.068 4.320 0.000 0.000 0.268 148 A C 1.066 178.620 177.584 -0.050 0.000 1.128 148 A CA 1.650 53.652 52.037 -0.058 0.000 1.062 148 A CB -2.680 16.293 19.000 -0.044 0.000 1.121 148 A HN 0.711 nan 8.150 nan 0.000 0.895 149 N N -1.125 117.543 118.700 -0.054 0.000 2.299 149 N HA 0.280 5.020 4.740 0.000 0.000 0.187 149 N C -0.378 175.105 175.510 -0.045 0.000 1.099 149 N CA 0.650 53.674 53.050 -0.043 0.000 0.867 149 N CB 0.614 39.077 38.487 -0.040 0.000 0.974 149 N HN 0.368 nan 8.380 nan 0.000 0.477 150 V N 0.808 120.677 119.914 -0.076 0.000 2.448 150 V HA 0.398 4.518 4.120 0.000 0.000 0.295 150 V C 0.525 176.536 176.094 -0.139 0.000 1.025 150 V CA -0.391 61.846 62.300 -0.105 0.000 0.859 150 V CB 1.473 33.210 31.823 -0.143 0.000 0.988 150 V HN 0.046 nan 8.190 nan 0.000 0.431 151 A N 4.327 127.046 122.820 -0.168 0.000 1.956 151 A HA 0.324 4.644 4.320 0.000 0.000 0.212 151 A C 0.862 178.239 177.584 -0.345 0.000 1.188 151 A CA 0.729 52.641 52.037 -0.208 0.000 0.675 151 A CB 0.284 19.202 19.000 -0.137 0.000 0.845 151 A HN 0.641 nan 8.150 nan 0.000 0.455 152 K N -0.486 119.599 120.400 -0.525 0.000 2.527 152 K HA 0.645 4.965 4.320 0.000 0.000 0.260 152 K C -2.128 174.210 176.600 -0.438 0.000 0.937 152 K CA -0.560 55.399 56.287 -0.547 0.000 0.826 152 K CB 1.654 33.635 32.500 -0.865 0.000 1.359 152 K HN 0.199 nan 8.250 nan 0.000 0.434 153 I N 3.201 123.572 120.570 -0.331 0.000 2.418 153 I HA 0.326 4.496 4.170 0.000 0.000 0.287 153 I C -0.781 175.158 176.117 -0.297 0.000 1.008 153 I CA -1.115 60.024 61.300 -0.268 0.000 1.104 153 I CB 2.008 39.887 38.000 -0.203 0.000 1.264 153 I HN 0.149 nan 8.210 nan 0.000 0.438 154 V N 6.909 126.524 119.914 -0.498 0.000 2.417 154 V HA 0.415 4.535 4.120 0.000 0.000 0.291 154 V C 0.050 175.944 176.094 -0.332 0.000 1.024 154 V CA -0.669 61.227 62.300 -0.674 0.000 0.861 154 V CB 1.770 32.524 31.823 -1.781 0.000 0.985 154 V HN 0.476 nan 8.190 nan 0.000 0.436 155 L N 6.467 127.635 121.223 -0.092 0.000 2.281 155 L HA 0.639 4.979 4.340 0.000 0.000 0.285 155 L C 0.007 177.034 176.870 0.260 0.000 1.074 155 L CA 0.025 54.994 54.840 0.215 0.000 0.817 155 L CB 0.795 43.053 42.059 0.332 0.000 1.168 155 L HN 0.757 nan 8.230 nan 0.000 0.434 156 M N 2.155 121.931 119.600 0.293 0.000 2.572 156 M HA 0.814 5.294 4.480 0.000 0.000 0.299 156 M C -0.850 175.447 176.300 -0.005 0.000 1.205 156 M CA -0.345 55.025 55.300 0.116 0.000 0.876 156 M CB 2.479 35.226 32.600 0.245 0.000 1.728 156 M HN 0.396 nan 8.290 nan 0.000 0.458 157 S N -0.489 115.047 115.700 -0.274 0.000 2.625 157 S HA 0.532 5.002 4.470 0.000 0.000 0.271 157 S C -2.129 172.283 174.600 -0.314 0.000 1.161 157 S CA -0.610 57.400 58.200 -0.316 0.000 0.820 157 S CB 1.880 64.772 63.200 -0.513 0.000 1.137 157 S HN 0.959 nan 8.310 nan 0.000 0.470 158 H N 0.929 119.744 119.070 -0.425 0.000 2.679 158 H HA 0.477 5.033 4.556 0.000 0.000 0.360 158 H C -1.464 173.618 175.328 -0.410 0.000 1.105 158 H CA -0.580 55.248 56.048 -0.368 0.000 1.196 158 H CB 0.869 30.533 29.762 -0.163 0.000 1.636 158 H HN 0.467 nan 8.280 nan 0.000 0.531 159 F N 2.136 121.771 119.950 -0.526 0.000 2.412 159 F HA 0.217 4.744 4.527 0.000 0.000 0.348 159 F C 1.286 176.827 175.800 -0.431 0.000 1.102 159 F CA 0.073 57.811 58.000 -0.438 0.000 1.196 159 F CB 1.325 40.074 39.000 -0.418 0.000 1.144 159 F HN 0.661 nan 8.300 nan 0.000 0.541 160 A N 3.605 126.377 122.820 -0.081 0.000 1.935 160 A HA 0.107 4.427 4.320 0.000 0.000 0.214 160 A C 1.233 178.780 177.584 -0.062 0.000 1.178 160 A CA 0.651 52.636 52.037 -0.087 0.000 0.640 160 A CB -0.042 18.911 19.000 -0.077 0.000 0.825 160 A HN 0.759 nan 8.150 nan 0.000 0.447 161 R N -1.160 119.311 120.500 -0.049 0.000 2.718 161 R HA 0.401 4.741 4.340 0.000 0.000 0.307 161 R C 0.740 177.021 176.300 -0.032 0.000 1.244 161 R CA 0.432 56.518 56.100 -0.024 0.000 1.348 161 R CB 0.601 30.901 30.300 0.000 0.000 1.304 161 R HN 0.302 nan 8.270 nan 0.000 0.663 162 A N 1.160 123.933 122.820 -0.079 0.000 2.066 162 A HA -0.151 4.169 4.320 0.000 0.000 0.218 162 A C 1.665 179.416 177.584 0.277 0.000 1.157 162 A CA 1.340 53.305 52.037 -0.120 0.000 0.670 162 A CB -0.037 18.820 19.000 -0.238 0.000 0.804 162 A HN 0.490 nan 8.150 nan 0.000 0.453 163 D N 0.404 120.908 120.400 0.175 0.000 2.317 163 D HA -0.085 4.555 4.640 0.000 0.000 0.211 163 D C 0.055 176.580 176.300 0.376 0.000 0.966 163 D CA 0.385 54.513 54.000 0.213 0.000 0.876 163 D CB -0.357 40.460 40.800 0.029 0.000 0.927 163 D HN 0.540 nan 8.370 nan 0.000 0.519 164 E N 0.609 120.985 120.200 0.293 0.000 2.014 164 E HA 0.253 4.603 4.350 0.000 0.000 0.275 164 E C 0.826 177.607 176.600 0.302 0.000 0.997 164 E CA -0.292 56.254 56.400 0.244 0.000 0.804 164 E CB 1.664 31.457 29.700 0.155 0.000 1.090 164 E HN 0.167 nan 8.360 nan 0.000 0.401 165 L N 2.074 123.400 121.223 0.171 0.000 2.217 165 L HA -0.121 4.219 4.340 0.000 0.000 0.211 165 L C 1.405 178.252 176.870 -0.038 0.000 1.107 165 L CA 0.856 55.672 54.840 -0.040 0.000 0.783 165 L CB -0.045 41.852 42.059 -0.271 0.000 0.919 165 L HN 0.429 nan 8.230 nan 0.000 0.442 166 D N -0.820 119.594 120.400 0.023 0.000 2.183 166 D HA -0.088 4.552 4.640 0.000 0.000 0.203 166 D C 0.974 177.326 176.300 0.088 0.000 0.969 166 D CA 0.406 54.421 54.000 0.026 0.000 0.842 166 D CB 0.061 40.871 40.800 0.018 0.000 0.957 166 D HN 0.247 nan 8.370 nan 0.000 0.484 167 C N 1.002 120.386 119.300 0.139 0.000 2.662 167 C HA 0.198 4.658 4.460 0.000 0.000 0.420 167 C C 1.950 177.062 174.990 0.203 0.000 1.314 167 C CA 0.396 59.499 59.018 0.141 0.000 1.963 167 C CB 0.098 27.910 27.740 0.120 0.000 2.686 167 C HN 0.473 nan 8.230 nan 0.000 0.609 168 T N 2.147 116.777 114.554 0.126 0.000 3.105 168 T HA 0.101 4.451 4.350 0.000 0.000 0.253 168 T C 1.532 176.253 174.700 0.034 0.000 1.047 168 T CA -0.080 62.091 62.100 0.119 0.000 0.944 168 T CB -0.281 68.639 68.868 0.088 0.000 1.016 168 T HN 0.735 nan 8.240 nan 0.000 0.544 169 R N 2.214 122.716 120.500 0.004 0.000 2.096 169 R HA 0.044 4.384 4.340 0.000 0.000 0.235 169 R C 2.314 178.559 176.300 -0.092 0.000 1.127 169 R CA 1.645 57.725 56.100 -0.034 0.000 0.968 169 R CB -1.096 29.188 30.300 -0.026 0.000 0.861 169 R HN 0.389 nan 8.270 nan 0.000 0.440 170 S N -0.557 114.979 115.700 -0.274 0.000 2.370 170 S HA -0.110 4.360 4.470 0.000 0.000 0.226 170 S C 1.899 176.323 174.600 -0.294 0.000 1.033 170 S CA 1.401 59.276 58.200 -0.540 0.000 1.011 170 S CB -0.263 61.946 63.200 -1.652 0.000 0.852 170 S HN 0.163 nan 8.310 nan 0.000 0.457 171 V N 1.866 121.657 119.914 -0.205 0.000 2.427 171 V HA -0.161 3.959 4.120 0.000 0.000 0.248 171 V C 2.309 178.412 176.094 0.014 0.000 1.051 171 V CA 1.558 63.840 62.300 -0.029 0.000 1.048 171 V CB -0.697 31.161 31.823 0.059 0.000 0.666 171 V HN 0.479 nan 8.190 nan 0.000 0.456 172 E N -0.109 120.093 120.200 0.003 0.000 2.077 172 E HA -0.263 4.087 4.350 0.000 0.000 0.193 172 E C 2.361 178.968 176.600 0.012 0.000 0.989 172 E CA 1.372 57.778 56.400 0.010 0.000 0.800 172 E CB -0.168 29.532 29.700 0.000 0.000 0.746 172 E HN 0.660 nan 8.360 nan 0.000 0.452 173 Q N 0.237 120.049 119.800 0.019 0.000 2.119 173 Q HA -0.126 4.215 4.340 0.000 0.000 0.201 173 Q C 2.366 178.388 176.000 0.037 0.000 0.972 173 Q CA 1.054 56.858 55.803 0.002 0.000 0.847 173 Q CB 0.081 28.819 28.738 0.000 0.000 0.903 173 Q HN 0.163 nan 8.270 nan 0.000 0.433 174 V N 0.864 120.849 119.914 0.119 0.000 2.358 174 V HA -0.265 3.855 4.120 0.000 0.000 0.246 174 V C 2.264 178.440 176.094 0.136 0.000 1.047 174 V CA 1.831 64.221 62.300 0.150 0.000 1.035 174 V CB -0.883 31.037 31.823 0.160 0.000 0.658 174 V HN 0.377 nan 8.190 nan 0.000 0.452 175 A N -0.293 122.575 122.820 0.079 0.000 1.933 175 A HA -0.144 4.176 4.320 0.000 0.000 0.218 175 A C 2.359 179.958 177.584 0.026 0.000 1.175 175 A CA 2.007 54.074 52.037 0.049 0.000 0.628 175 A CB -0.586 18.434 19.000 0.032 0.000 0.814 175 A HN 0.351 nan 8.150 nan 0.000 0.444 176 V N -1.316 118.609 119.914 0.018 0.000 2.379 176 V HA -0.191 3.929 4.120 0.000 0.000 0.245 176 V C 2.242 178.319 176.094 -0.028 0.000 1.044 176 V CA 1.927 64.215 62.300 -0.020 0.000 1.036 176 V CB -0.928 30.867 31.823 -0.046 0.000 0.664 176 V HN 0.640 nan 8.190 nan 0.000 0.453 177 F N 0.468 120.335 119.950 -0.139 0.000 2.084 177 F HA -0.152 4.375 4.527 -0.000 0.000 0.296 177 F C 1.981 177.721 175.800 -0.099 0.000 1.111 177 F CA 1.642 59.541 58.000 -0.168 0.000 1.224 177 F CB -0.288 38.606 39.000 -0.177 0.000 0.991 177 F HN 0.044 nan 8.300 nan 0.000 0.471 178 L N 0.684 121.872 121.223 -0.059 0.000 2.131 178 L HA -0.046 4.294 4.340 0.000 0.000 0.210 178 L C 2.719 179.498 176.870 -0.152 0.000 1.092 178 L CA 1.865 56.627 54.840 -0.131 0.000 0.759 178 L CB -1.562 40.514 42.059 0.029 0.000 0.903 178 L HN 0.326 nan 8.230 nan 0.000 0.435 179 G N -1.601 107.136 108.800 -0.105 0.000 2.421 179 G HA2 -0.105 3.855 3.960 0.000 0.000 0.217 179 G HA3 -0.105 3.855 3.960 0.000 0.000 0.217 179 G C 1.475 176.310 174.900 -0.108 0.000 1.143 179 G CA 0.601 45.651 45.100 -0.084 0.000 0.784 179 G HN 0.462 nan 8.290 nan 0.000 0.541 180 A N 0.321 123.045 122.820 -0.160 0.000 2.275 180 A HA 0.359 4.679 4.320 0.000 0.000 0.212 180 A C 2.090 179.608 177.584 -0.110 0.000 1.201 180 A CA 1.163 53.125 52.037 -0.125 0.000 0.843 180 A CB -0.026 18.879 19.000 -0.159 0.000 0.873 180 A HN 0.439 nan 8.150 nan 0.000 0.492 181 R N -1.219 119.128 120.500 -0.253 0.000 2.369 181 R HA 0.506 4.846 4.340 0.000 0.000 0.210 181 R C 0.801 176.957 176.300 -0.241 0.000 0.881 181 R CA 0.731 56.662 56.100 -0.280 0.000 1.031 181 R CB -0.699 29.270 30.300 -0.552 0.000 1.184 181 R HN 0.138 nan 8.270 nan 0.000 0.581 182 A N 1.478 124.184 122.820 -0.190 0.000 2.565 182 A HA 0.222 4.542 4.320 0.000 0.000 0.237 182 A C 0.136 177.645 177.584 -0.125 0.000 1.053 182 A CA 1.095 53.051 52.037 -0.135 0.000 0.755 182 A CB -0.332 18.612 19.000 -0.094 0.000 0.980 182 A HN 0.691 nan 8.150 nan 0.000 0.506 183 D N -0.816 119.517 120.400 -0.112 0.000 1.943 183 D HA -0.167 4.473 4.640 0.000 0.000 0.224 183 D C -0.237 175.982 176.300 -0.135 0.000 1.186 183 D CA 1.467 55.406 54.000 -0.102 0.000 1.453 183 D CB -1.718 39.029 40.800 -0.089 0.000 1.424 183 D HN 0.564 nan 8.370 nan 0.000 0.666 184 L N 1.021 122.115 121.223 -0.216 0.000 2.371 184 L HA 0.449 4.789 4.340 0.000 0.000 0.272 184 L C 0.621 177.357 176.870 -0.225 0.000 1.124 184 L CA 0.349 54.996 54.840 -0.320 0.000 0.816 184 L CB 1.413 43.080 42.059 -0.654 0.000 1.129 184 L HN 0.154 nan 8.230 nan 0.000 0.448 185 T N 2.475 116.937 114.554 -0.154 0.000 2.947 185 T HA 0.731 5.081 4.350 0.000 0.000 0.337 185 T C -0.492 174.184 174.700 -0.040 0.000 1.139 185 T CA -0.245 61.809 62.100 -0.075 0.000 0.992 185 T CB 0.244 69.091 68.868 -0.036 0.000 1.043 185 T HN 0.789 nan 8.240 nan 0.000 0.498 186 A N 4.050 126.839 122.820 -0.051 0.000 2.599 186 A HA 0.693 5.013 4.320 0.000 0.000 0.290 186 A C -0.926 176.648 177.584 -0.016 0.000 1.101 186 A CA -0.976 51.047 52.037 -0.024 0.000 0.674 186 A CB 1.026 20.025 19.000 -0.001 0.000 1.277 186 A HN 0.701 nan 8.150 nan 0.000 0.419 187 E N 0.161 120.348 120.200 -0.021 0.000 2.366 187 E HA 0.448 4.798 4.350 0.000 0.000 0.266 187 E C -0.407 176.200 176.600 0.012 0.000 1.051 187 E CA 0.017 56.430 56.400 0.022 0.000 0.884 187 E CB 0.972 30.719 29.700 0.078 0.000 1.006 187 E HN 0.555 nan 8.360 nan 0.000 0.417 188 I N -1.587 119.042 120.570 0.098 0.000 2.693 188 I HA 0.626 4.796 4.170 0.000 0.000 0.303 188 I C -0.478 175.717 176.117 0.130 0.000 1.025 188 I CA -0.727 60.661 61.300 0.147 0.000 1.086 188 I CB 2.246 40.418 38.000 0.287 0.000 1.268 188 I HN 0.209 nan 8.210 nan 0.000 0.440 189 S N 4.380 120.123 115.700 0.072 0.000 2.736 189 S HA 0.648 5.118 4.470 0.000 0.000 0.285 189 S C -0.221 174.363 174.600 -0.026 0.000 1.163 189 S CA -0.563 57.725 58.200 0.146 0.000 1.025 189 S CB 1.034 64.455 63.200 0.369 0.000 1.030 189 S HN 0.801 nan 8.310 nan 0.000 0.486 190 L N 3.400 124.607 121.223 -0.026 0.000 2.885 190 L HA 0.434 4.774 4.340 0.000 0.000 0.251 190 L C 0.632 177.553 176.870 0.085 0.000 1.071 190 L CA -0.213 54.519 54.840 -0.180 0.000 0.956 190 L CB 0.174 42.052 42.059 -0.300 0.000 1.483 190 L HN 0.389 nan 8.230 nan 0.000 0.525 191 R N 2.509 123.141 120.500 0.220 0.000 2.234 191 R HA 0.195 4.535 4.340 0.000 0.000 0.324 191 R C -0.385 176.068 176.300 0.256 0.000 1.054 191 R CA -0.327 55.946 56.100 0.288 0.000 0.912 191 R CB 0.536 30.967 30.300 0.218 0.000 1.030 191 R HN 0.233 nan 8.270 nan 0.000 0.455 192 N N 0.601 119.465 118.700 0.273 0.000 2.681 192 N HA 0.150 4.890 4.740 0.000 0.000 0.311 192 N C 0.440 176.063 175.510 0.188 0.000 1.303 192 N CA -0.750 52.450 53.050 0.250 0.000 0.926 192 N CB -0.032 38.643 38.487 0.314 0.000 1.136 192 N HN 0.166 nan 8.380 nan 0.000 0.592 193 S N 0.385 116.190 115.700 0.175 0.000 2.369 193 S HA -0.093 4.377 4.470 0.000 0.000 0.225 193 S C -1.036 173.621 174.600 0.096 0.000 1.043 193 S CA 1.971 60.238 58.200 0.112 0.000 1.074 193 S CB -1.261 61.995 63.200 0.093 0.000 0.962 193 S HN 0.622 nan 8.310 nan 0.000 0.433 194 P HA 0.061 nan 4.420 nan 0.000 0.217 194 P C 1.253 178.775 177.300 0.370 0.000 1.150 194 P CA 1.299 64.455 63.100 0.093 0.000 0.832 194 P CB -0.110 31.592 31.700 0.003 0.000 0.787 195 A N -0.763 122.202 122.820 0.242 0.000 2.014 195 A HA -0.071 4.249 4.320 0.000 0.000 0.218 195 A C 2.249 179.981 177.584 0.247 0.000 1.163 195 A CA 1.234 53.404 52.037 0.221 0.000 0.652 195 A CB -1.505 17.474 19.000 -0.034 0.000 0.808 195 A HN 0.024 nan 8.150 nan 0.000 0.449 196 V N -0.100 119.930 119.914 0.193 0.000 2.323 196 V HA -0.190 3.930 4.120 0.000 0.000 0.244 196 V C 2.513 178.689 176.094 0.137 0.000 1.041 196 V CA 1.836 64.219 62.300 0.140 0.000 1.025 196 V CB -0.635 31.244 31.823 0.093 0.000 0.656 196 V HN 0.560 nan 8.190 nan 0.000 0.451 197 L N 0.174 121.507 121.223 0.184 0.000 2.072 197 L HA 0.053 4.393 4.340 0.000 0.000 0.205 197 L C 2.162 179.112 176.870 0.132 0.000 1.079 197 L CA 1.720 56.670 54.840 0.184 0.000 0.752 197 L CB -0.593 41.649 42.059 0.305 0.000 0.906 197 L HN 0.471 nan 8.230 nan 0.000 0.436 198 G N -2.697 106.214 108.800 0.185 0.000 3.228 198 G HA2 0.050 4.010 3.960 0.000 0.000 0.245 198 G HA3 0.050 4.010 3.960 0.000 0.000 0.245 198 G C -0.520 174.162 174.900 -0.365 0.000 1.051 198 G CA -0.358 44.667 45.100 -0.125 0.000 0.809 198 G HN 0.199 nan 8.290 nan 0.000 0.531 199 W N 1.492 122.780 121.300 -0.020 0.000 2.319 199 W HA 0.380 5.040 4.660 0.000 0.000 0.288 199 W C -1.696 174.799 176.519 -0.039 0.000 0.959 199 W CA -2.050 55.256 57.345 -0.064 0.000 1.784 199 W CB 1.909 31.281 29.460 -0.147 0.000 1.848 199 W HN -0.050 nan 8.180 nan 0.000 0.408 200 P HA -0.182 nan 4.420 nan 0.000 0.221 200 P C 1.419 178.767 177.300 0.080 0.000 1.150 200 P CA 1.376 64.513 63.100 0.062 0.000 0.800 200 P CB 0.343 32.045 31.700 0.004 0.000 0.787 201 R N 0.019 120.581 120.500 0.102 0.000 2.356 201 R HA 0.165 4.505 4.340 0.000 0.000 0.234 201 R C -0.263 176.109 176.300 0.120 0.000 0.929 201 R CA -0.066 56.092 56.100 0.096 0.000 1.084 201 R CB -1.039 29.311 30.300 0.082 0.000 1.105 201 R HN 0.010 nan 8.270 nan 0.000 0.515 202 V N 4.950 124.950 119.914 0.143 0.000 2.406 202 V HA 0.263 4.383 4.120 0.000 0.000 0.272 202 V C -1.893 174.277 176.094 0.127 0.000 1.043 202 V CA -1.841 60.543 62.300 0.139 0.000 0.915 202 V CB 1.547 33.444 31.823 0.124 0.000 0.988 202 V HN 0.218 nan 8.190 nan 0.000 0.466 203 P HA 0.362 nan 4.420 nan 0.000 0.275 203 P C -0.628 176.738 177.300 0.109 0.000 1.227 203 P CA -0.188 62.976 63.100 0.107 0.000 0.781 203 P CB 1.169 32.936 31.700 0.113 0.000 0.906 204 S N 1.381 117.138 115.700 0.097 0.000 2.584 204 S HA 0.140 4.610 4.470 0.000 0.000 0.280 204 S C 0.118 174.769 174.600 0.086 0.000 1.162 204 S CA -0.555 57.710 58.200 0.109 0.000 0.951 204 S CB 1.209 64.487 63.200 0.131 0.000 1.108 204 S HN 0.403 nan 8.310 nan 0.000 0.464 205 D N 0.772 121.236 120.400 0.107 0.000 2.213 205 D HA 0.046 4.686 4.640 0.000 0.000 0.205 205 D C -0.244 176.022 176.300 -0.057 0.000 0.961 205 D CA 1.054 55.071 54.000 0.029 0.000 0.853 205 D CB 0.321 41.169 40.800 0.079 0.000 0.967 205 D HN 0.464 nan 8.370 nan 0.000 0.496 206 W N 1.079 122.444 121.300 0.108 0.000 2.656 206 W HA 0.390 5.050 4.660 -0.000 0.000 0.327 206 W C -0.273 176.358 176.519 0.187 0.000 1.041 206 W CA -0.907 56.559 57.345 0.202 0.000 1.229 206 W CB 1.431 31.133 29.460 0.404 0.000 1.397 206 W HN -0.364 nan 8.180 nan 0.000 0.479 207 V N 0.811 120.939 119.914 0.357 0.000 2.769 207 V HA 0.702 4.822 4.120 0.000 0.000 0.312 207 V C -0.250 176.010 176.094 0.276 0.000 1.058 207 V CA -1.606 60.849 62.300 0.258 0.000 0.952 207 V CB 1.971 33.875 31.823 0.134 0.000 1.019 207 V HN 0.624 nan 8.190 nan 0.000 0.445 208 R N 2.620 123.259 120.500 0.232 0.000 2.651 208 R HA 0.397 4.737 4.340 0.000 0.000 0.282 208 R C -2.827 173.578 176.300 0.175 0.000 1.565 208 R CA -1.432 54.792 56.100 0.206 0.000 1.661 208 R CB 1.053 31.469 30.300 0.194 0.000 1.189 208 R HN 0.604 nan 8.270 nan 0.000 0.621 209 P HA 0.132 nan 4.420 nan 0.000 0.287 209 P C -0.054 177.280 177.300 0.056 0.000 1.294 209 P CA 0.058 63.209 63.100 0.086 0.000 0.776 209 P CB 1.949 33.660 31.700 0.018 0.000 0.889 210 G N 2.662 111.512 108.800 0.083 0.000 2.571 210 G HA2 -0.023 3.937 3.960 0.000 0.000 0.225 210 G HA3 -0.023 3.937 3.960 0.000 0.000 0.225 210 G C 1.037 175.816 174.900 -0.202 0.000 1.731 210 G CA -0.084 45.021 45.100 0.008 0.000 0.858 210 G HN 0.436 nan 8.290 nan 0.000 0.611 211 L N 0.650 121.845 121.223 -0.046 0.000 2.051 211 L HA -0.136 4.204 4.340 0.000 0.000 0.214 211 L C 2.908 179.721 176.870 -0.095 0.000 1.076 211 L CA 1.946 56.740 54.840 -0.076 0.000 0.758 211 L CB -0.316 41.564 42.059 -0.299 0.000 0.890 211 L HN 0.319 nan 8.230 nan 0.000 0.433 212 M N -1.243 118.296 119.600 -0.102 0.000 2.190 212 M HA -0.362 4.118 4.480 0.000 0.000 0.252 212 M C 2.141 178.321 176.300 -0.200 0.000 1.076 212 M CA 2.429 57.666 55.300 -0.106 0.000 1.079 212 M CB -0.643 31.914 32.600 -0.071 0.000 1.303 212 M HN 0.374 nan 8.290 nan 0.000 0.412 213 L N -1.818 119.160 121.223 -0.409 0.000 2.131 213 L HA -0.213 4.127 4.340 0.000 0.000 0.210 213 L C 1.684 178.172 176.870 -0.637 0.000 1.092 213 L CA 1.265 55.768 54.840 -0.562 0.000 0.759 213 L CB -0.879 40.687 42.059 -0.821 0.000 0.903 213 L HN 0.348 nan 8.230 nan 0.000 0.435 214 Y N -0.176 119.917 120.300 -0.345 0.000 2.461 214 Y HA 0.290 4.840 4.550 -0.000 0.000 0.277 214 Y C 1.777 177.539 175.900 -0.229 0.000 1.182 214 Y CA 0.257 58.063 58.100 -0.490 0.000 1.276 214 Y CB 0.057 37.968 38.460 -0.915 0.000 1.087 214 Y HN 0.242 nan 8.280 nan 0.000 0.519 215 G N 0.295 109.076 108.800 -0.031 0.000 2.143 215 G HA2 -0.280 3.680 3.960 0.000 0.000 0.249 215 G HA3 -0.280 3.680 3.960 0.000 0.000 0.249 215 G C 0.088 175.042 174.900 0.090 0.000 0.981 215 G CA 0.313 45.438 45.100 0.042 0.000 0.665 215 G HN 0.335 nan 8.290 nan 0.000 0.528 216 S N -0.520 115.243 115.700 0.104 0.000 2.472 216 S HA 0.711 5.181 4.470 0.000 0.000 0.303 216 S C 0.344 174.963 174.600 0.032 0.000 1.099 216 S CA 0.543 58.808 58.200 0.108 0.000 1.077 216 S CB 1.562 64.890 63.200 0.213 0.000 1.031 216 S HN 1.010 nan 8.310 nan 0.000 0.487 217 S N 3.812 119.533 115.700 0.034 0.000 2.545 217 S HA 0.427 4.897 4.470 0.000 0.000 0.275 217 S C -1.668 172.893 174.600 -0.065 0.000 1.299 217 S CA -1.420 56.797 58.200 0.028 0.000 1.048 217 S CB 0.719 64.000 63.200 0.136 0.000 0.938 217 S HN 0.684 nan 8.310 nan 0.000 0.496 218 P HA 0.201 nan 4.420 nan 0.000 0.255 218 P C -0.527 176.579 177.300 -0.323 0.000 1.248 218 P CA 0.085 63.019 63.100 -0.277 0.000 0.807 218 P CB -0.067 31.424 31.700 -0.348 0.000 1.150 219 F N 0.308 120.300 119.950 0.071 0.000 2.399 219 F HA 0.275 4.802 4.527 0.000 0.000 0.328 219 F C 1.595 177.414 175.800 0.032 0.000 1.084 219 F CA -0.638 57.392 58.000 0.050 0.000 1.053 219 F CB 0.475 39.491 39.000 0.028 0.000 1.209 219 F HN -0.340 nan 8.300 nan 0.000 0.502 220 D N 0.068 120.604 120.400 0.227 0.000 2.120 220 D HA -0.051 4.589 4.640 0.000 0.000 0.202 220 D C 0.283 176.646 176.300 0.106 0.000 0.972 220 D CA 1.124 55.199 54.000 0.125 0.000 0.837 220 D CB -0.110 40.744 40.800 0.090 0.000 0.989 220 D HN 0.574 nan 8.370 nan 0.000 0.469 221 E N 1.573 121.833 120.200 0.100 0.000 2.392 221 E HA 0.204 4.554 4.350 0.000 0.000 0.259 221 E C -2.137 174.484 176.600 0.034 0.000 1.108 221 E CA -1.434 54.986 56.400 0.033 0.000 0.916 221 E CB 0.373 30.056 29.700 -0.029 0.000 0.989 221 E HN 0.101 nan 8.360 nan 0.000 0.432 222 P HA -0.002 nan 4.420 nan 0.000 0.271 222 P C -1.120 176.133 177.300 -0.079 0.000 1.216 222 P CA -0.073 63.024 63.100 -0.005 0.000 0.776 222 P CB 0.863 32.559 31.700 -0.007 0.000 0.881 223 Q N 1.747 121.502 119.800 -0.074 0.000 2.356 223 Q HA 0.590 4.930 4.340 0.000 0.000 0.270 223 Q C 0.617 176.569 176.000 -0.080 0.000 1.058 223 Q CA -0.684 55.017 55.803 -0.171 0.000 0.802 223 Q CB 1.713 30.243 28.738 -0.347 0.000 1.303 223 Q HN 0.370 nan 8.270 nan 0.000 0.444 224 A N 2.381 125.142 122.820 -0.098 0.000 1.883 224 A HA -0.142 4.178 4.320 0.000 0.000 0.217 224 A C 1.602 179.170 177.584 -0.026 0.000 1.186 224 A CA 2.358 54.361 52.037 -0.057 0.000 0.624 224 A CB -0.965 17.994 19.000 -0.069 0.000 0.822 224 A HN 0.878 nan 8.150 nan 0.000 0.444 225 T N 0.044 114.580 114.554 -0.029 0.000 2.904 225 T HA 0.144 4.494 4.350 0.000 0.000 0.267 225 T C 2.051 176.781 174.700 0.049 0.000 1.059 225 T CA 1.143 63.247 62.100 0.006 0.000 1.137 225 T CB -0.267 68.604 68.868 0.004 0.000 0.879 225 T HN 0.566 nan 8.240 nan 0.000 0.467 226 A N 1.188 124.056 122.820 0.081 0.000 2.066 226 A HA 0.063 4.383 4.320 0.000 0.000 0.218 226 A C 2.467 180.104 177.584 0.089 0.000 1.157 226 A CA 0.997 53.112 52.037 0.130 0.000 0.670 226 A CB -0.580 18.570 19.000 0.249 0.000 0.804 226 A HN 0.388 nan 8.150 nan 0.000 0.453 227 S N -0.545 115.189 115.700 0.057 0.000 2.474 227 S HA -0.064 4.406 4.470 0.000 0.000 0.235 227 S C 1.710 176.342 174.600 0.053 0.000 0.997 227 S CA 0.804 59.032 58.200 0.046 0.000 0.949 227 S CB -0.219 62.995 63.200 0.024 0.000 0.766 227 S HN 0.606 nan 8.310 nan 0.000 0.517 228 R N 0.281 120.820 120.500 0.065 0.000 2.310 228 R HA 0.245 4.585 4.340 0.000 0.000 0.202 228 R C -0.298 176.095 176.300 0.154 0.000 0.933 228 R CA 0.021 56.179 56.100 0.098 0.000 1.054 228 R CB 0.010 30.358 30.300 0.081 0.000 0.985 228 R HN 0.306 nan 8.270 nan 0.000 0.489 229 L N 1.332 122.622 121.223 0.111 0.000 2.326 229 L HA 0.184 4.524 4.340 0.000 0.000 0.278 229 L C 0.070 176.995 176.870 0.093 0.000 1.092 229 L CA -0.089 54.820 54.840 0.115 0.000 0.810 229 L CB 1.209 43.315 42.059 0.079 0.000 1.153 229 L HN -0.012 nan 8.230 nan 0.000 0.439 230 Q N 4.208 124.067 119.800 0.099 0.000 2.347 230 Q HA 0.333 4.673 4.340 0.000 0.000 0.262 230 Q C -2.338 173.692 176.000 0.051 0.000 0.980 230 Q CA -2.047 53.776 55.803 0.033 0.000 0.867 230 Q CB 1.658 30.365 28.738 -0.052 0.000 1.242 230 Q HN 0.300 nan 8.270 nan 0.000 0.453 231 P HA -0.107 nan 4.420 nan 0.000 0.263 231 P C 0.056 177.415 177.300 0.098 0.000 1.195 231 P CA 0.272 63.431 63.100 0.100 0.000 0.762 231 P CB 0.877 32.644 31.700 0.112 0.000 0.799 232 V N 3.696 123.681 119.914 0.118 0.000 2.436 232 V HA 0.020 4.140 4.120 0.000 0.000 0.240 232 V C 1.328 177.530 176.094 0.179 0.000 1.040 232 V CA 1.166 63.541 62.300 0.124 0.000 1.052 232 V CB -0.414 31.462 31.823 0.088 0.000 0.707 232 V HN 0.524 nan 8.190 nan 0.000 0.469 233 M N 0.943 120.700 119.600 0.262 0.000 2.216 233 M HA 0.283 4.763 4.480 0.000 0.000 0.356 233 M C -0.847 175.607 176.300 0.257 0.000 1.205 233 M CA 0.350 55.794 55.300 0.240 0.000 1.122 233 M CB 1.106 33.848 32.600 0.237 0.000 1.571 233 M HN 0.212 nan 8.290 nan 0.000 0.464 234 T N 6.034 120.659 114.554 0.117 0.000 2.864 234 T HA 0.420 4.770 4.350 0.000 0.000 0.310 234 T C -0.951 173.701 174.700 -0.079 0.000 1.040 234 T CA -0.567 61.564 62.100 0.052 0.000 0.977 234 T CB 0.828 69.709 68.868 0.023 0.000 0.976 234 T HN 0.577 nan 8.240 nan 0.000 0.459 235 L N 4.835 125.906 121.223 -0.255 0.000 2.257 235 L HA 0.595 4.935 4.340 0.000 0.000 0.290 235 L C 0.017 176.696 176.870 -0.319 0.000 1.044 235 L CA -0.037 54.556 54.840 -0.412 0.000 0.810 235 L CB 0.281 41.799 42.059 -0.903 0.000 1.193 235 L HN 0.759 nan 8.230 nan 0.000 0.425 236 E N 2.924 122.998 120.200 -0.210 0.000 2.429 236 E HA 0.793 5.143 4.350 0.000 0.000 0.276 236 E C -1.320 175.201 176.600 -0.133 0.000 0.953 236 E CA -0.968 55.344 56.400 -0.146 0.000 0.787 236 E CB 1.961 31.613 29.700 -0.079 0.000 1.307 236 E HN 0.407 nan 8.360 nan 0.000 0.458 237 S N -0.103 115.530 115.700 -0.112 0.000 2.929 237 S HA 0.546 5.016 4.470 0.000 0.000 0.311 237 S C -1.601 172.954 174.600 -0.075 0.000 1.213 237 S CA -0.793 57.348 58.200 -0.099 0.000 0.908 237 S CB 1.305 64.431 63.200 -0.122 0.000 1.287 237 S HN 0.480 nan 8.310 nan 0.000 0.594 238 K N 0.770 121.127 120.400 -0.071 0.000 2.435 238 K HA 0.606 4.926 4.320 0.000 0.000 0.251 238 K C -1.491 175.073 176.600 -0.061 0.000 0.954 238 K CA -0.812 55.441 56.287 -0.058 0.000 0.820 238 K CB 2.006 34.478 32.500 -0.047 0.000 1.292 238 K HN 0.400 nan 8.250 nan 0.000 0.436 239 V N 3.914 123.796 119.914 -0.054 0.000 2.479 239 V HA 0.041 4.161 4.120 0.000 0.000 0.281 239 V C 1.135 177.202 176.094 -0.046 0.000 1.031 239 V CA 0.204 62.472 62.300 -0.052 0.000 1.038 239 V CB 0.118 31.913 31.823 -0.047 0.000 0.981 239 V HN 0.727 nan 8.190 nan 0.000 0.478 240 I N 1.389 121.931 120.570 -0.047 0.000 4.057 240 I HA 0.439 4.609 4.170 0.000 0.000 0.334 240 I C 0.528 176.623 176.117 -0.036 0.000 1.308 240 I CA 0.178 61.453 61.300 -0.041 0.000 1.125 240 I CB 0.616 38.589 38.000 -0.044 0.000 1.034 240 I HN 0.577 nan 8.210 nan 0.000 0.401 241 C N 1.369 120.647 119.300 -0.037 0.000 2.871 241 C HA 0.678 5.138 4.460 0.000 0.000 0.378 241 C C -0.737 174.235 174.990 -0.030 0.000 1.052 241 C CA -0.370 58.629 59.018 -0.032 0.000 1.250 241 C CB 1.123 28.843 27.740 -0.034 0.000 1.689 241 C HN 0.161 nan 8.230 nan 0.000 0.506 242 V N 6.351 126.250 119.914 -0.025 0.000 2.495 242 V HA 0.723 4.843 4.120 0.000 0.000 0.298 242 V C -0.034 176.050 176.094 -0.016 0.000 1.031 242 V CA -0.524 61.763 62.300 -0.021 0.000 0.871 242 V CB 1.714 33.525 31.823 -0.021 0.000 0.988 242 V HN 0.868 nan 8.190 nan 0.000 0.432 243 R N 2.388 122.881 120.500 -0.012 0.000 2.651 243 R HA 0.503 4.843 4.340 0.000 0.000 0.278 243 R C -1.100 175.200 176.300 -0.001 0.000 1.010 243 R CA -0.605 55.491 56.100 -0.007 0.000 0.896 243 R CB 2.370 32.666 30.300 -0.007 0.000 1.211 243 R HN 0.822 nan 8.270 nan 0.000 0.456 244 E N 4.091 124.290 120.200 -0.001 0.000 2.175 244 E HA 0.377 4.727 4.350 0.000 0.000 0.278 244 E C -0.911 175.692 176.600 0.004 0.000 0.969 244 E CA -0.575 55.826 56.400 0.003 0.000 0.796 244 E CB 1.812 31.512 29.700 -0.000 0.000 1.104 244 E HN 0.336 nan 8.360 nan 0.000 0.395 245 L N 4.739 125.968 121.223 0.010 0.000 2.381 245 L HA 0.500 4.840 4.340 0.000 0.000 0.268 245 L C -2.220 174.653 176.870 0.004 0.000 0.997 245 L CA -2.134 52.710 54.840 0.007 0.000 0.818 245 L CB 2.028 44.096 42.059 0.015 0.000 1.310 245 L HN 0.377 nan 8.230 nan 0.000 0.416 246 P HA 0.188 nan 4.420 nan 0.000 0.275 246 P C -0.794 176.496 177.300 -0.016 0.000 1.266 246 P CA -0.492 62.603 63.100 -0.008 0.000 0.793 246 P CB 0.692 32.386 31.700 -0.011 0.000 1.074 247 A N -0.574 122.233 122.820 -0.021 0.000 2.445 247 A HA 0.468 4.788 4.320 0.000 0.000 0.242 247 A C 1.239 178.794 177.584 -0.047 0.000 1.075 247 A CA 0.512 52.527 52.037 -0.037 0.000 0.777 247 A CB -1.377 17.604 19.000 -0.031 0.000 1.013 247 A HN 0.905 nan 8.150 nan 0.000 0.493 248 G N 0.588 109.344 108.800 -0.074 0.000 2.132 248 G HA2 -0.138 3.822 3.960 0.000 0.000 0.228 248 G HA3 -0.138 3.822 3.960 0.000 0.000 0.228 248 G C -0.208 174.649 174.900 -0.071 0.000 1.000 248 G CA 0.235 45.290 45.100 -0.075 0.000 0.693 248 G HN 0.756 nan 8.290 nan 0.000 0.515 249 E N 1.010 121.163 120.200 -0.078 0.000 2.151 249 E HA 0.412 4.762 4.350 0.000 0.000 0.275 249 E C -2.367 174.191 176.600 -0.071 0.000 0.936 249 E CA -1.896 54.471 56.400 -0.056 0.000 0.777 249 E CB 2.302 31.984 29.700 -0.030 0.000 1.108 249 E HN 0.238 nan 8.360 nan 0.000 0.401 250 P HA 0.142 nan 4.420 nan 0.000 0.280 250 P C -0.446 176.865 177.300 0.018 0.000 1.244 250 P CA -0.346 62.738 63.100 -0.026 0.000 0.784 250 P CB 0.931 32.624 31.700 -0.011 0.000 0.913 251 V N 2.996 122.957 119.914 0.079 0.000 2.444 251 V HA 0.696 4.816 4.120 0.000 0.000 0.294 251 V C 0.720 176.871 176.094 0.095 0.000 1.022 251 V CA 0.383 62.750 62.300 0.113 0.000 0.850 251 V CB 0.604 32.569 31.823 0.236 0.000 0.992 251 V HN 1.109 nan 8.190 nan 0.000 0.426 252 G N 4.074 112.877 108.800 0.004 0.000 2.698 252 G HA2 -0.196 3.764 3.960 0.000 0.000 0.225 252 G HA3 -0.196 3.764 3.960 0.000 0.000 0.225 252 G C -0.786 174.089 174.900 -0.042 0.000 1.345 252 G CA -0.678 44.388 45.100 -0.057 0.000 0.871 252 G HN 0.606 nan 8.290 nan 0.000 0.540 253 Y N 1.176 121.518 120.300 0.069 0.000 2.497 253 Y HA 0.335 4.885 4.550 0.000 0.000 0.334 253 Y C 1.916 177.852 175.900 0.060 0.000 1.199 253 Y CA 1.712 59.849 58.100 0.062 0.000 1.425 253 Y CB 0.838 39.341 38.460 0.071 0.000 1.291 253 Y HN 2.122 nan 8.280 nan 0.000 0.562 254 G N 2.140 111.081 108.800 0.235 0.000 2.180 254 G HA2 -0.156 3.804 3.960 0.000 0.000 0.263 254 G HA3 -0.156 3.804 3.960 0.000 0.000 0.263 254 G C 0.753 175.715 174.900 0.103 0.000 0.989 254 G CA 0.406 45.590 45.100 0.140 0.000 0.692 254 G HN 1.868 nan 8.290 nan 0.000 0.526 255 A N -1.571 121.309 122.820 0.099 0.000 2.704 255 A HA -0.248 4.072 4.320 0.000 0.000 0.299 255 A C 1.723 179.358 177.584 0.085 0.000 1.507 255 A CA 2.050 54.131 52.037 0.074 0.000 0.776 255 A CB -0.896 18.128 19.000 0.039 0.000 1.027 255 A HN 0.779 nan 8.150 nan 0.000 0.475 256 R N -1.787 118.788 120.500 0.126 0.000 2.323 256 R HA 0.202 4.542 4.340 0.000 0.000 0.198 256 R C -0.027 176.403 176.300 0.217 0.000 0.988 256 R CA 0.805 56.987 56.100 0.138 0.000 1.041 256 R CB -0.407 29.973 30.300 0.133 0.000 0.926 256 R HN 0.810 nan 8.270 nan 0.000 0.476 257 F N 0.167 120.137 119.950 0.033 0.000 2.585 257 F HA 0.421 4.948 4.527 0.000 0.000 0.319 257 F C -1.236 174.574 175.800 0.017 0.000 1.165 257 F CA -1.456 56.559 58.000 0.026 0.000 0.949 257 F CB 1.069 40.086 39.000 0.028 0.000 1.218 257 F HN -0.265 nan 8.300 nan 0.000 0.453 258 I N 4.050 124.204 120.570 -0.693 0.000 2.433 258 I HA 0.309 4.479 4.170 0.000 0.000 0.292 258 I C -0.042 175.560 176.117 -0.858 0.000 1.001 258 I CA -0.703 60.260 61.300 -0.561 0.000 1.119 258 I CB 2.232 40.070 38.000 -0.270 0.000 1.289 258 I HN 0.685 nan 8.210 nan 0.000 0.438 259 T N 3.996 118.224 114.554 -0.543 0.000 2.792 259 T HA 0.116 4.466 4.350 0.000 0.000 0.286 259 T C -1.652 172.910 174.700 -0.231 0.000 0.970 259 T CA -0.892 61.001 62.100 -0.345 0.000 1.187 259 T CB 0.355 69.158 68.868 -0.110 0.000 0.915 259 T HN 0.480 nan 8.240 nan 0.000 0.529 260 P HA 0.089 nan 4.420 nan 0.000 0.235 260 P C 0.213 177.492 177.300 -0.036 0.000 1.177 260 P CA 0.743 63.793 63.100 -0.084 0.000 0.785 260 P CB 0.249 31.929 31.700 -0.034 0.000 0.885 261 K N -1.211 119.179 120.400 -0.017 0.000 2.548 261 K HA 0.500 4.820 4.320 0.000 0.000 0.282 261 K C -3.251 173.352 176.600 0.005 0.000 1.006 261 K CA -2.421 53.866 56.287 -0.001 0.000 0.892 261 K CB 0.776 33.285 32.500 0.015 0.000 1.499 261 K HN -0.350 nan 8.250 nan 0.000 0.433 262 P HA 0.053 nan 4.420 nan 0.000 0.263 262 P C -0.882 176.431 177.300 0.021 0.000 1.195 262 P CA 0.379 63.484 63.100 0.009 0.000 0.762 262 P CB 0.376 32.078 31.700 0.004 0.000 0.799 263 M N 2.492 122.110 119.600 0.029 0.000 2.550 263 M HA 0.410 4.890 4.480 0.000 0.000 0.292 263 M C 0.142 176.461 176.300 0.031 0.000 1.221 263 M CA -0.840 54.486 55.300 0.042 0.000 0.873 263 M CB 3.528 36.177 32.600 0.082 0.000 1.727 263 M HN 0.175 nan 8.290 nan 0.000 0.459 264 R N 2.102 122.616 120.500 0.023 0.000 2.294 264 R HA 0.627 4.967 4.340 0.000 0.000 0.319 264 R C -1.396 174.911 176.300 0.012 0.000 0.984 264 R CA -0.427 55.680 56.100 0.012 0.000 0.861 264 R CB 0.812 31.113 30.300 0.001 0.000 1.104 264 R HN 0.528 nan 8.270 nan 0.000 0.451 265 I N 3.083 123.659 120.570 0.009 0.000 2.474 265 I HA 0.433 4.603 4.170 0.000 0.000 0.294 265 I C 0.527 176.636 176.117 -0.013 0.000 1.005 265 I CA -0.648 60.656 61.300 0.006 0.000 1.113 265 I CB 1.578 39.592 38.000 0.023 0.000 1.289 265 I HN 0.755 nan 8.210 nan 0.000 0.436 266 G N 4.774 113.559 108.800 -0.025 0.000 2.452 266 G HA2 0.616 4.576 3.960 0.000 0.000 0.324 266 G HA3 0.616 4.576 3.960 0.000 0.000 0.324 266 G C -1.204 173.668 174.900 -0.046 0.000 1.214 266 G CA -0.377 44.701 45.100 -0.036 0.000 0.947 266 G HN 0.297 nan 8.290 nan 0.000 0.478 267 V N 1.977 121.862 119.914 -0.048 0.000 2.398 267 V HA 0.445 4.565 4.120 0.000 0.000 0.286 267 V C 0.007 176.061 176.094 -0.067 0.000 1.026 267 V CA -0.654 61.612 62.300 -0.057 0.000 0.868 267 V CB 1.331 33.123 31.823 -0.051 0.000 0.982 267 V HN 0.545 nan 8.190 nan 0.000 0.443 268 V N 3.386 123.249 119.914 -0.085 0.000 2.547 268 V HA 0.605 4.725 4.120 0.000 0.000 0.299 268 V C 0.714 176.746 176.094 -0.104 0.000 1.040 268 V CA -0.640 61.599 62.300 -0.100 0.000 0.913 268 V CB 1.836 33.579 31.823 -0.132 0.000 0.992 268 V HN 0.963 nan 8.190 nan 0.000 0.449 269 A N 5.467 128.228 122.820 -0.098 0.000 2.990 269 A HA 0.675 4.995 4.320 0.000 0.000 0.282 269 A C -0.218 177.297 177.584 -0.115 0.000 1.688 269 A CA 0.131 52.112 52.037 -0.094 0.000 1.391 269 A CB -0.818 18.137 19.000 -0.076 0.000 1.112 269 A HN 0.845 nan 8.150 nan 0.000 0.588 270 M N 1.258 120.778 119.600 -0.132 0.000 2.346 270 M HA 0.546 5.026 4.480 0.000 0.000 0.287 270 M C -0.384 175.831 176.300 -0.141 0.000 1.100 270 M CA 0.169 55.378 55.300 -0.152 0.000 0.950 270 M CB 1.292 33.758 32.600 -0.223 0.000 1.815 270 M HN 0.546 nan 8.290 nan 0.000 0.497 271 G N 1.931 110.670 108.800 -0.102 0.000 3.176 271 G HA2 0.470 4.430 3.960 0.000 0.000 0.272 271 G HA3 0.470 4.430 3.960 0.000 0.000 0.272 271 G C -0.377 174.540 174.900 0.028 0.000 1.349 271 G CA -0.115 44.925 45.100 -0.100 0.000 0.953 271 G HN 0.937 nan 8.290 nan 0.000 0.559 272 Y N -1.739 118.633 120.300 0.122 0.000 2.516 272 Y HA 0.353 4.903 4.550 -0.000 0.000 0.291 272 Y C 2.459 178.415 175.900 0.093 0.000 1.131 272 Y CA 0.981 59.161 58.100 0.133 0.000 1.281 272 Y CB -0.388 38.138 38.460 0.110 0.000 1.013 272 Y HN 0.344 nan 8.280 nan 0.000 0.554 273 A N 1.061 123.877 122.820 -0.007 0.000 1.968 273 A HA -0.142 4.178 4.320 0.000 0.000 0.217 273 A C 1.784 179.400 177.584 0.054 0.000 1.169 273 A CA 1.588 53.650 52.037 0.041 0.000 0.638 273 A CB -0.600 18.361 19.000 -0.065 0.000 0.812 273 A HN 0.504 nan 8.150 nan 0.000 0.446 274 D N -1.331 119.090 120.400 0.034 0.000 2.269 274 D HA 0.105 4.745 4.640 0.000 0.000 0.208 274 D C 1.430 177.790 176.300 0.100 0.000 0.963 274 D CA 1.478 55.501 54.000 0.038 0.000 0.864 274 D CB 0.175 40.971 40.800 -0.007 0.000 0.936 274 D HN 0.622 nan 8.370 nan 0.000 0.505 275 G N -0.116 108.787 108.800 0.172 0.000 2.318 275 G HA2 -0.220 3.740 3.960 0.000 0.000 0.172 275 G HA3 -0.220 3.740 3.960 0.000 0.000 0.172 275 G C -0.093 175.019 174.900 0.353 0.000 1.002 275 G CA -0.467 44.777 45.100 0.241 0.000 0.697 275 G HN 0.292 nan 8.290 nan 0.000 0.483 276 Y N 4.040 124.467 120.300 0.211 0.000 2.377 276 Y HA 0.488 5.037 4.550 -0.000 0.000 0.330 276 Y C -1.712 174.329 175.900 0.236 0.000 1.108 276 Y CA -1.606 56.651 58.100 0.262 0.000 1.308 276 Y CB 1.003 39.534 38.460 0.118 0.000 1.216 276 Y HN 0.059 nan 8.280 nan 0.000 0.518 277 P HA 0.028 nan 4.420 nan 0.000 0.267 277 P C -0.061 177.271 177.300 0.055 0.000 1.205 277 P CA 0.115 63.161 63.100 -0.089 0.000 0.765 277 P CB 0.950 32.516 31.700 -0.224 0.000 0.828 278 R N 2.613 123.161 120.500 0.081 0.000 2.193 278 R HA -0.106 4.234 4.340 0.000 0.000 0.213 278 R C 1.514 177.834 176.300 0.033 0.000 1.055 278 R CA 1.161 57.311 56.100 0.084 0.000 0.995 278 R CB 0.010 30.238 30.300 -0.121 0.000 0.893 278 R HN 0.379 nan 8.270 nan 0.000 0.459 279 Q N 0.213 120.005 119.800 -0.014 0.000 2.437 279 Q HA 0.084 4.424 4.340 0.000 0.000 0.210 279 Q C 0.172 176.170 176.000 -0.003 0.000 0.972 279 Q CA 0.891 56.682 55.803 -0.020 0.000 0.903 279 Q CB 0.190 28.901 28.738 -0.045 0.000 0.967 279 Q HN 0.273 nan 8.270 nan 0.000 0.486 280 A N 2.423 125.247 122.820 0.008 0.000 2.484 280 A HA 0.293 4.613 4.320 0.000 0.000 0.268 280 A C -2.156 175.472 177.584 0.073 0.000 1.114 280 A CA -1.100 50.958 52.037 0.035 0.000 0.780 280 A CB -0.198 18.837 19.000 0.057 0.000 1.061 280 A HN 0.051 nan 8.150 nan 0.000 0.505 281 P HA 0.325 nan 4.420 nan 0.000 0.284 281 P C -0.140 177.178 177.300 0.030 0.000 1.292 281 P CA -0.560 62.567 63.100 0.045 0.000 0.800 281 P CB 0.238 31.960 31.700 0.037 0.000 1.188 282 T N 0.278 114.834 114.554 0.004 0.000 2.829 282 T HA 0.380 4.730 4.350 0.000 0.000 0.293 282 T C 1.209 175.890 174.700 -0.030 0.000 0.970 282 T CA 1.482 63.539 62.100 -0.073 0.000 1.168 282 T CB -0.736 68.065 68.868 -0.113 0.000 0.911 282 T HN 0.825 nan 8.240 nan 0.000 0.535 283 G N 3.040 111.815 108.800 -0.043 0.000 2.229 283 G HA2 -0.206 3.754 3.960 0.000 0.000 0.189 283 G HA3 -0.206 3.754 3.960 0.000 0.000 0.189 283 G C 0.304 175.220 174.900 0.027 0.000 1.000 283 G CA -0.321 44.778 45.100 -0.002 0.000 0.663 283 G HN 0.773 nan 8.290 nan 0.000 0.493 284 T N 3.945 118.525 114.554 0.044 0.000 2.853 284 T HA 0.465 4.815 4.350 0.000 0.000 0.298 284 T C -2.354 172.408 174.700 0.103 0.000 0.978 284 T CA -0.066 62.086 62.100 0.087 0.000 1.152 284 T CB 1.528 70.476 68.868 0.134 0.000 0.914 284 T HN 0.166 nan 8.240 nan 0.000 0.539 285 P HA 0.302 nan 4.420 nan 0.000 0.287 285 P C -0.161 177.239 177.300 0.167 0.000 1.294 285 P CA -0.547 62.628 63.100 0.125 0.000 0.776 285 P CB 0.576 32.349 31.700 0.122 0.000 0.889 286 V N 0.494 120.496 119.914 0.147 0.000 3.406 286 V HA 0.659 4.779 4.120 0.000 0.000 0.305 286 V C -0.264 175.960 176.094 0.216 0.000 1.136 286 V CA -1.003 61.412 62.300 0.192 0.000 1.011 286 V CB 0.072 31.954 31.823 0.099 0.000 1.221 286 V HN 0.409 nan 8.190 nan 0.000 0.454 287 F N -1.260 118.699 119.950 0.016 0.000 2.276 287 F HA 0.026 4.553 4.527 0.000 0.000 0.498 287 F C -0.517 175.277 175.800 -0.010 0.000 1.249 287 F CA 0.739 58.745 58.000 0.010 0.000 1.591 287 F CB -0.785 38.231 39.000 0.026 0.000 2.494 287 F HN 0.737 nan 8.300 nan 0.000 0.737 288 V N 3.486 123.284 119.914 -0.193 0.000 2.668 288 V HA 0.586 4.706 4.120 0.000 0.000 0.304 288 V C -0.054 175.905 176.094 -0.225 0.000 1.071 288 V CA -0.336 61.883 62.300 -0.134 0.000 0.894 288 V CB 1.815 33.588 31.823 -0.084 0.000 1.008 288 V HN 0.491 nan 8.190 nan 0.000 0.425 289 D N 4.851 125.160 120.400 -0.151 0.000 2.751 289 D HA -0.158 4.482 4.640 0.000 0.000 0.233 289 D C 1.134 177.301 176.300 -0.222 0.000 1.149 289 D CA 2.231 56.149 54.000 -0.136 0.000 0.682 289 D CB -1.223 39.517 40.800 -0.099 0.000 1.068 289 D HN 1.879 nan 8.370 nan 0.000 0.429 290 G N -2.352 106.208 108.800 -0.400 0.000 2.148 290 G HA2 -0.236 3.724 3.960 0.000 0.000 0.254 290 G HA3 -0.236 3.724 3.960 0.000 0.000 0.254 290 G C 0.245 174.746 174.900 -0.664 0.000 0.981 290 G CA 0.299 45.112 45.100 -0.478 0.000 0.670 290 G HN 0.694 nan 8.290 nan 0.000 0.528 291 V N 0.149 119.603 119.914 -0.768 0.000 2.656 291 V HA 0.548 4.668 4.120 0.000 0.000 0.307 291 V C 0.728 176.522 176.094 -0.499 0.000 1.051 291 V CA -1.127 60.884 62.300 -0.482 0.000 0.893 291 V CB 1.879 33.559 31.823 -0.238 0.000 0.999 291 V HN 0.384 nan 8.190 nan 0.000 0.426 292 R N 2.076 122.447 120.500 -0.214 0.000 2.401 292 R HA 0.465 4.805 4.340 0.000 0.000 0.299 292 R C 0.262 176.553 176.300 -0.015 0.000 1.064 292 R CA 0.343 56.445 56.100 0.003 0.000 1.000 292 R CB 0.780 31.160 30.300 0.134 0.000 0.973 292 R HN 0.892 nan 8.270 nan 0.000 0.438 293 S N 1.986 117.691 115.700 0.008 0.000 3.379 293 S HA 0.449 4.919 4.470 0.000 0.000 0.273 293 S C -1.543 173.069 174.600 0.021 0.000 1.027 293 S CA -0.681 57.518 58.200 -0.002 0.000 1.098 293 S CB 1.040 64.222 63.200 -0.030 0.000 1.317 293 S HN 0.692 nan 8.310 nan 0.000 0.715 294 Q N 0.294 120.093 119.800 -0.002 0.000 2.482 294 Q HA 0.632 4.972 4.340 0.000 0.000 0.286 294 Q C -1.720 174.254 176.000 -0.044 0.000 1.007 294 Q CA -0.911 54.888 55.803 -0.007 0.000 0.801 294 Q CB 1.244 29.971 28.738 -0.018 0.000 1.455 294 Q HN 0.501 nan 8.270 nan 0.000 0.398 295 L N 1.707 122.909 121.223 -0.034 0.000 2.349 295 L HA 0.503 4.843 4.340 0.000 0.000 0.275 295 L C -1.548 175.219 176.870 -0.172 0.000 1.115 295 L CA -0.094 54.708 54.840 -0.063 0.000 0.820 295 L CB 0.839 42.913 42.059 0.026 0.000 1.135 295 L HN 0.695 nan 8.230 nan 0.000 0.445 296 L N 6.147 127.230 121.223 -0.233 0.000 2.343 296 L HA 0.739 5.079 4.340 0.000 0.000 0.278 296 L C 0.601 177.294 176.870 -0.295 0.000 0.996 296 L CA -0.247 54.300 54.840 -0.488 0.000 0.831 296 L CB 1.039 42.755 42.059 -0.571 0.000 1.232 296 L HN 0.961 nan 8.230 nan 0.000 0.413 297 G N 2.649 111.297 108.800 -0.255 0.000 2.642 297 G HA2 -0.178 3.782 3.960 0.000 0.000 0.231 297 G HA3 -0.178 3.782 3.960 0.000 0.000 0.231 297 G C -0.478 174.461 174.900 0.064 0.000 1.338 297 G CA -0.825 44.288 45.100 0.022 0.000 0.883 297 G HN 0.497 nan 8.290 nan 0.000 0.570 298 R N -0.576 119.998 120.500 0.124 0.000 2.491 298 R HA 0.373 4.713 4.340 0.000 0.000 0.283 298 R C 0.490 176.900 176.300 0.183 0.000 1.072 298 R CA -0.363 55.839 56.100 0.170 0.000 1.048 298 R CB 0.761 31.205 30.300 0.240 0.000 0.983 298 R HN 0.550 nan 8.270 nan 0.000 0.450 299 V N 3.370 123.422 119.914 0.230 0.000 2.455 299 V HA 0.057 4.177 4.120 0.000 0.000 0.273 299 V C 0.827 177.150 176.094 0.381 0.000 1.045 299 V CA 0.005 62.463 62.300 0.264 0.000 0.976 299 V CB 1.137 33.168 31.823 0.347 0.000 0.993 299 V HN 0.733 nan 8.190 nan 0.000 0.475 300 S N 4.339 120.179 115.700 0.234 0.000 2.661 300 S HA 0.282 4.752 4.470 0.000 0.000 0.265 300 S C 1.186 175.629 174.600 -0.260 0.000 1.225 300 S CA -0.509 57.822 58.200 0.220 0.000 0.986 300 S CB 0.766 64.061 63.200 0.159 0.000 1.008 300 S HN 0.837 nan 8.310 nan 0.000 0.565 301 M N 0.952 120.268 119.600 -0.473 0.000 2.117 301 M HA -0.150 4.330 4.480 0.000 0.000 0.262 301 M C 0.130 176.134 176.300 -0.492 0.000 1.065 301 M CA 1.748 56.491 55.300 -0.929 0.000 1.114 301 M CB -0.068 32.279 32.600 -0.421 0.000 1.361 301 M HN 0.560 nan 8.290 nan 0.000 0.408 302 D N -1.217 119.038 120.400 -0.242 0.000 2.479 302 D HA 0.237 4.877 4.640 0.000 0.000 0.216 302 D C 0.041 176.270 176.300 -0.118 0.000 1.110 302 D CA 0.331 54.239 54.000 -0.153 0.000 0.841 302 D CB 0.683 41.423 40.800 -0.100 0.000 1.040 302 D HN 0.355 nan 8.370 nan 0.000 0.505 303 M N 1.111 120.648 119.600 -0.104 0.000 2.457 303 M HA 0.405 4.885 4.480 0.000 0.000 0.300 303 M C -1.312 174.948 176.300 -0.067 0.000 1.141 303 M CA -0.968 54.282 55.300 -0.083 0.000 0.901 303 M CB 3.108 35.669 32.600 -0.066 0.000 1.687 303 M HN -0.172 nan 8.290 nan 0.000 0.449 304 L N 0.455 121.622 121.223 -0.094 0.000 2.283 304 L HA 0.992 5.332 4.340 0.000 0.000 0.259 304 L C -1.157 175.659 176.870 -0.090 0.000 1.027 304 L CA -0.571 54.217 54.840 -0.087 0.000 0.828 304 L CB 1.885 43.844 42.059 -0.166 0.000 1.380 304 L HN 0.802 nan 8.230 nan 0.000 0.425 305 C N 2.163 121.416 119.300 -0.077 0.000 2.396 305 C HA 0.878 5.338 4.460 0.000 0.000 0.321 305 C C -0.134 174.803 174.990 -0.089 0.000 1.233 305 C CA -0.642 58.333 59.018 -0.073 0.000 1.440 305 C CB -0.113 27.596 27.740 -0.050 0.000 2.110 305 C HN 0.913 nan 8.230 nan 0.000 0.473 306 I N 1.942 122.463 120.570 -0.081 0.000 2.957 306 I HA 0.654 4.824 4.170 0.000 0.000 0.310 306 I C -0.656 175.423 176.117 -0.064 0.000 1.063 306 I CA -0.358 60.895 61.300 -0.079 0.000 1.033 306 I CB 1.496 39.454 38.000 -0.070 0.000 1.230 306 I HN 0.432 nan 8.210 nan 0.000 0.447 307 D N 2.850 123.213 120.400 -0.060 0.000 2.264 307 D HA 0.399 5.039 4.640 0.000 0.000 0.250 307 D C -0.055 176.227 176.300 -0.030 0.000 1.113 307 D CA -0.011 53.967 54.000 -0.037 0.000 0.871 307 D CB 1.306 42.086 40.800 -0.034 0.000 1.167 307 D HN 0.647 nan 8.370 nan 0.000 0.447 308 L N 2.937 124.148 121.223 -0.020 0.000 3.184 308 L HA 0.106 4.446 4.340 0.000 0.000 0.283 308 L C 1.625 178.486 176.870 -0.015 0.000 1.218 308 L CA -0.084 54.742 54.840 -0.024 0.000 1.028 308 L CB 0.448 42.492 42.059 -0.026 0.000 1.400 308 L HN 0.380 nan 8.230 nan 0.000 0.591 309 T N -0.785 113.767 114.554 -0.004 0.000 2.701 309 T HA -0.131 4.219 4.350 0.000 0.000 0.263 309 T C 1.137 175.834 174.700 -0.005 0.000 1.040 309 T CA 1.395 63.496 62.100 0.002 0.000 1.147 309 T CB -0.012 68.867 68.868 0.017 0.000 0.865 309 T HN 0.208 nan 8.240 nan 0.000 0.426 310 D N 0.898 121.293 120.400 -0.008 0.000 2.340 310 D HA 0.103 4.743 4.640 0.000 0.000 0.220 310 D C -0.054 176.231 176.300 -0.025 0.000 1.039 310 D CA 0.215 54.207 54.000 -0.012 0.000 0.866 310 D CB 0.107 40.903 40.800 -0.008 0.000 0.913 310 D HN 0.221 nan 8.370 nan 0.000 0.523 311 V N 2.315 122.209 119.914 -0.032 0.000 2.311 311 V HA 0.156 4.276 4.120 0.000 0.000 0.275 311 V C -1.489 174.583 176.094 -0.037 0.000 1.022 311 V CA -1.194 61.079 62.300 -0.045 0.000 0.830 311 V CB 1.674 33.459 31.823 -0.065 0.000 1.012 311 V HN -0.119 nan 8.190 nan 0.000 0.452 312 P HA -0.050 nan 4.420 nan 0.000 0.214 312 P C 0.896 178.180 177.300 -0.027 0.000 1.162 312 P CA 0.869 63.954 63.100 -0.025 0.000 0.871 312 P CB 0.336 32.023 31.700 -0.022 0.000 0.783 313 Q N -0.549 119.233 119.800 -0.031 0.000 2.296 313 Q HA 0.450 4.790 4.340 0.000 0.000 0.273 313 Q C -0.446 175.533 176.000 -0.035 0.000 0.900 313 Q CA -0.518 55.268 55.803 -0.029 0.000 0.993 313 Q CB -0.051 28.671 28.738 -0.026 0.000 1.132 313 Q HN 0.121 nan 8.270 nan 0.000 0.439 314 A N -0.602 122.195 122.820 -0.038 0.000 2.337 314 A HA 0.922 5.242 4.320 0.000 0.000 0.329 314 A C 0.177 177.741 177.584 -0.035 0.000 1.146 314 A CA -0.022 51.990 52.037 -0.042 0.000 0.800 314 A CB 1.339 20.307 19.000 -0.054 0.000 1.220 314 A HN 0.405 nan 8.150 nan 0.000 0.472 315 G N -0.073 108.706 108.800 -0.034 0.000 2.562 315 G HA2 0.433 4.393 3.960 0.000 0.000 0.190 315 G HA3 0.433 4.393 3.960 0.000 0.000 0.190 315 G C -1.001 173.880 174.900 -0.031 0.000 1.196 315 G CA -0.828 44.254 45.100 -0.030 0.000 0.986 315 G HN 0.751 nan 8.290 nan 0.000 0.512 316 L N 1.740 122.947 121.223 -0.027 0.000 2.540 316 L HA 0.337 4.677 4.340 0.000 0.000 0.276 316 L C 1.703 178.556 176.870 -0.028 0.000 1.212 316 L CA 1.658 56.481 54.840 -0.028 0.000 0.893 316 L CB 0.415 42.460 42.059 -0.024 0.000 1.138 316 L HN 1.602 nan 8.230 nan 0.000 0.491 317 G N 2.049 110.831 108.800 -0.031 0.000 2.162 317 G HA2 -0.279 3.681 3.960 0.000 0.000 0.260 317 G HA3 -0.279 3.681 3.960 0.000 0.000 0.260 317 G C 0.354 175.236 174.900 -0.030 0.000 0.976 317 G CA 0.223 45.305 45.100 -0.029 0.000 0.655 317 G HN 0.568 nan 8.290 nan 0.000 0.533 318 S N 1.088 116.768 115.700 -0.033 0.000 2.549 318 S HA 0.487 4.957 4.470 0.000 0.000 0.279 318 S C 0.694 175.273 174.600 -0.034 0.000 1.321 318 S CA 0.358 58.537 58.200 -0.034 0.000 1.054 318 S CB 1.163 64.338 63.200 -0.041 0.000 0.899 318 S HN 0.440 nan 8.310 nan 0.000 0.497 319 T N 3.204 117.742 114.554 -0.025 0.000 2.794 319 T HA 0.326 4.676 4.350 0.000 0.000 0.296 319 T C -0.145 174.551 174.700 -0.007 0.000 0.949 319 T CA -0.453 61.637 62.100 -0.017 0.000 1.101 319 T CB 0.296 69.163 68.868 -0.001 0.000 0.905 319 T HN 0.333 nan 8.240 nan 0.000 0.516 320 V N 3.802 123.706 119.914 -0.017 0.000 2.378 320 V HA 0.330 4.450 4.120 0.000 0.000 0.288 320 V C 0.292 176.388 176.094 0.003 0.000 1.016 320 V CA -0.929 61.367 62.300 -0.006 0.000 0.840 320 V CB 1.430 33.223 31.823 -0.050 0.000 0.994 320 V HN 0.872 nan 8.190 nan 0.000 0.431 321 E N 4.232 124.486 120.200 0.090 0.000 2.194 321 E HA 0.251 4.601 4.350 0.000 0.000 0.284 321 E C 0.005 176.630 176.600 0.042 0.000 1.035 321 E CA -0.666 55.769 56.400 0.058 0.000 0.836 321 E CB 1.111 30.879 29.700 0.112 0.000 1.070 321 E HN 0.500 nan 8.360 nan 0.000 0.401 322 L N 4.214 125.396 121.223 -0.068 0.000 2.102 322 L HA 0.108 4.448 4.340 0.000 0.000 0.202 322 L C 0.460 177.459 176.870 0.214 0.000 1.076 322 L CA 1.193 56.026 54.840 -0.012 0.000 0.761 322 L CB -1.093 40.828 42.059 -0.231 0.000 0.921 322 L HN 0.653 nan 8.230 nan 0.000 0.444 323 W N -2.015 119.359 121.300 0.123 0.000 3.167 323 W HA 0.633 5.293 4.660 -0.000 0.000 0.324 323 W C -0.280 176.275 176.519 0.061 0.000 1.230 323 W CA -0.500 56.895 57.345 0.084 0.000 1.184 323 W CB 0.607 30.122 29.460 0.092 0.000 1.414 323 W HN 0.126 nan 8.180 nan 0.000 0.551 324 G N 0.848 109.854 108.800 0.343 0.000 2.600 324 G HA2 0.036 3.996 3.960 0.000 0.000 0.103 324 G HA3 0.036 3.996 3.960 0.000 0.000 0.103 324 G C 0.004 174.964 174.900 0.101 0.000 1.090 324 G CA -0.347 44.881 45.100 0.215 0.000 1.090 324 G HN 0.458 nan 8.290 nan 0.000 0.500 325 K N 0.462 120.870 120.400 0.014 0.000 2.296 325 K HA 0.117 4.437 4.320 0.000 0.000 0.200 325 K C 1.709 178.240 176.600 -0.115 0.000 1.048 325 K CA 0.835 57.106 56.287 -0.027 0.000 0.966 325 K CB 0.070 32.554 32.500 -0.026 0.000 0.754 325 K HN 0.232 nan 8.250 nan 0.000 0.466 326 N N 0.226 118.772 118.700 -0.257 0.000 2.436 326 N HA 0.035 4.775 4.740 0.000 0.000 0.178 326 N C 0.177 175.465 175.510 -0.370 0.000 1.026 326 N CA 0.610 53.344 53.050 -0.527 0.000 0.880 326 N CB 0.704 38.358 38.487 -1.389 0.000 1.061 326 N HN 0.005 nan 8.380 nan 0.000 0.434 327 I N 2.906 123.347 120.570 -0.214 0.000 2.354 327 I HA 0.293 4.463 4.170 0.000 0.000 0.286 327 I C 0.145 176.309 176.117 0.078 0.000 1.007 327 I CA -0.541 60.751 61.300 -0.014 0.000 1.167 327 I CB 0.964 39.018 38.000 0.090 0.000 1.320 327 I HN -0.094 nan 8.210 nan 0.000 0.458 328 L N 4.738 125.992 121.223 0.053 0.000 2.453 328 L HA 0.147 4.487 4.340 0.000 0.000 0.272 328 L C 1.767 178.654 176.870 0.028 0.000 1.182 328 L CA -0.119 54.755 54.840 0.057 0.000 0.858 328 L CB 0.811 42.888 42.059 0.030 0.000 1.120 328 L HN 0.728 nan 8.230 nan 0.000 0.474 329 A N 2.077 124.871 122.820 -0.044 0.000 1.978 329 A HA -0.182 4.138 4.320 0.000 0.000 0.220 329 A C 2.289 179.659 177.584 -0.356 0.000 1.170 329 A CA 1.905 53.715 52.037 -0.378 0.000 0.636 329 A CB -0.542 18.015 19.000 -0.738 0.000 0.810 329 A HN 0.902 nan 8.150 nan 0.000 0.448 330 S N -0.282 115.302 115.700 -0.193 0.000 2.423 330 S HA -0.143 4.327 4.470 0.000 0.000 0.231 330 S C 1.565 176.113 174.600 -0.087 0.000 1.014 330 S CA 1.215 59.332 58.200 -0.139 0.000 0.965 330 S CB -0.334 62.829 63.200 -0.061 0.000 0.785 330 S HN 0.697 nan 8.310 nan 0.000 0.495 331 E N 0.909 121.080 120.200 -0.049 0.000 2.072 331 E HA -0.049 4.301 4.350 0.000 0.000 0.191 331 E C 2.058 178.648 176.600 -0.017 0.000 0.985 331 E CA 1.235 57.629 56.400 -0.010 0.000 0.801 331 E CB -0.243 29.475 29.700 0.029 0.000 0.750 331 E HN 0.434 nan 8.360 nan 0.000 0.452 332 V N 1.213 121.105 119.914 -0.037 0.000 2.379 332 V HA -0.196 3.924 4.120 0.000 0.000 0.245 332 V C 2.305 178.313 176.094 -0.144 0.000 1.044 332 V CA 1.674 63.945 62.300 -0.048 0.000 1.036 332 V CB -0.684 31.142 31.823 0.006 0.000 0.664 332 V HN 0.283 nan 8.190 nan 0.000 0.453 333 A N -0.452 122.237 122.820 -0.218 0.000 1.902 333 A HA -0.252 4.068 4.320 0.000 0.000 0.217 333 A C 2.451 179.962 177.584 -0.122 0.000 1.181 333 A CA 2.545 54.451 52.037 -0.218 0.000 0.623 333 A CB -0.995 17.841 19.000 -0.273 0.000 0.818 333 A HN 0.441 nan 8.150 nan 0.000 0.443 334 T N -0.797 113.706 114.554 -0.085 0.000 2.915 334 T HA 0.088 4.438 4.350 0.000 0.000 0.269 334 T C 1.888 176.570 174.700 -0.030 0.000 1.071 334 T CA 1.597 63.672 62.100 -0.043 0.000 1.132 334 T CB -0.376 68.479 68.868 -0.021 0.000 0.878 334 T HN 0.514 nan 8.240 nan 0.000 0.479 335 A N 0.534 123.336 122.820 -0.030 0.000 1.968 335 A HA 0.428 4.748 4.320 0.000 0.000 0.217 335 A C 2.343 179.914 177.584 -0.022 0.000 1.169 335 A CA 1.390 53.420 52.037 -0.012 0.000 0.638 335 A CB -0.697 18.307 19.000 0.007 0.000 0.812 335 A HN 0.548 nan 8.150 nan 0.000 0.446 336 A N -1.350 121.438 122.820 -0.053 0.000 2.278 336 A HA 0.259 4.579 4.320 0.000 0.000 0.212 336 A C 0.665 178.217 177.584 -0.054 0.000 1.213 336 A CA 0.739 52.739 52.037 -0.062 0.000 0.840 336 A CB -0.341 18.593 19.000 -0.110 0.000 0.866 336 A HN 0.449 nan 8.150 nan 0.000 0.489 337 D N -0.705 119.669 120.400 -0.043 0.000 2.723 337 D HA -0.134 4.506 4.640 0.000 0.000 0.236 337 D C 0.179 176.452 176.300 -0.044 0.000 1.138 337 D CA 1.521 55.500 54.000 -0.034 0.000 0.676 337 D CB -1.054 39.732 40.800 -0.023 0.000 1.069 337 D HN 0.492 nan 8.370 nan 0.000 0.430 338 T N -1.311 113.206 114.554 -0.061 0.000 2.654 338 T HA 0.718 5.068 4.350 0.000 0.000 0.289 338 T C -0.486 174.175 174.700 -0.065 0.000 1.062 338 T CA -0.505 61.556 62.100 -0.066 0.000 1.041 338 T CB 1.437 70.253 68.868 -0.085 0.000 1.417 338 T HN 0.215 nan 8.240 nan 0.000 0.510 339 I N 0.251 120.792 120.570 -0.049 0.000 2.562 339 I HA 0.589 4.759 4.170 0.000 0.000 0.301 339 I C -1.829 174.244 176.117 -0.073 0.000 1.003 339 I CA -2.852 58.450 61.300 0.004 0.000 1.127 339 I CB 2.170 40.252 38.000 0.136 0.000 1.304 339 I HN 0.362 nan 8.210 nan 0.000 0.446 340 P HA -0.201 nan 4.420 nan 0.000 0.219 340 P C 1.286 178.313 177.300 -0.454 0.000 1.146 340 P CA 1.619 64.406 63.100 -0.522 0.000 0.808 340 P CB -0.102 31.294 31.700 -0.505 0.000 0.779 341 Y N 0.708 120.944 120.300 -0.107 0.000 2.102 341 Y HA -0.240 4.310 4.550 -0.000 0.000 0.280 341 Y C 3.134 178.995 175.900 -0.066 0.000 1.178 341 Y CA 2.001 60.128 58.100 0.044 0.000 1.146 341 Y CB -1.349 37.120 38.460 0.015 0.000 0.968 341 Y HN 0.061 nan 8.280 nan 0.000 0.504 342 Q N 0.506 120.325 119.800 0.032 0.000 2.016 342 Q HA -0.168 4.172 4.340 0.000 0.000 0.200 342 Q C 2.237 178.187 176.000 -0.082 0.000 0.978 342 Q CA 2.069 57.850 55.803 -0.037 0.000 0.833 342 Q CB -0.297 28.406 28.738 -0.058 0.000 0.895 342 Q HN 0.728 nan 8.270 nan 0.000 0.427 343 I N -2.563 117.866 120.570 -0.234 0.000 2.493 343 I HA -0.150 4.020 4.170 0.000 0.000 0.254 343 I C 1.729 177.763 176.117 -0.139 0.000 1.160 343 I CA 1.029 62.164 61.300 -0.275 0.000 1.445 343 I CB -0.514 37.131 38.000 -0.592 0.000 1.086 343 I HN 0.090 nan 8.210 nan 0.000 0.433 344 F N 1.158 121.022 119.950 -0.143 0.000 2.113 344 F HA -0.175 4.352 4.527 0.000 0.000 0.297 344 F C 2.694 178.492 175.800 -0.003 0.000 1.103 344 F CA 0.988 58.959 58.000 -0.048 0.000 1.248 344 F CB -0.398 38.605 39.000 0.004 0.000 0.999 344 F HN 0.220 nan 8.300 nan 0.000 0.475 345 C N 0.141 119.543 119.300 0.171 0.000 2.432 345 C HA -0.119 4.341 4.460 0.000 0.000 0.280 345 C C 2.228 177.260 174.990 0.070 0.000 1.353 345 C CA 0.597 59.658 59.018 0.072 0.000 1.766 345 C CB -1.265 26.468 27.740 -0.011 0.000 1.924 345 C HN 0.443 nan 8.230 nan 0.000 0.509 346 N N 0.813 119.565 118.700 0.087 0.000 2.494 346 N HA 0.032 4.772 4.740 0.000 0.000 0.182 346 N C 0.362 175.945 175.510 0.122 0.000 1.076 346 N CA 0.187 53.293 53.050 0.093 0.000 0.908 346 N CB -0.327 38.218 38.487 0.096 0.000 0.967 346 N HN 0.432 nan 8.380 nan 0.000 0.449 347 L N 1.606 122.919 121.223 0.150 0.000 2.628 347 L HA -0.036 4.304 4.340 0.000 0.000 0.274 347 L C 0.240 177.157 176.870 0.077 0.000 1.209 347 L CA 1.064 55.986 54.840 0.136 0.000 0.930 347 L CB 0.126 42.264 42.059 0.132 0.000 1.183 347 L HN -0.069 nan 8.230 nan 0.000 0.492 348 K N 3.485 123.923 120.400 0.062 0.000 2.533 348 K HA 0.411 4.731 4.320 0.000 0.000 0.272 348 K C 0.273 176.884 176.600 0.018 0.000 0.985 348 K CA -0.556 55.754 56.287 0.039 0.000 0.876 348 K CB 2.246 34.772 32.500 0.043 0.000 1.452 348 K HN 0.522 nan 8.250 nan 0.000 0.439 349 R N -0.661 119.845 120.500 0.009 0.000 3.075 349 R HA -0.227 4.113 4.340 0.000 0.000 0.235 349 R C -0.074 176.218 176.300 -0.014 0.000 0.799 349 R CA 1.771 57.869 56.100 -0.004 0.000 1.783 349 R CB -1.801 28.493 30.300 -0.010 0.000 1.344 349 R HN 0.429 nan 8.270 nan 0.000 0.587 350 V N 1.078 120.978 119.914 -0.022 0.000 2.655 350 V HA 0.422 4.542 4.120 0.000 0.000 0.300 350 V C -1.819 174.251 176.094 -0.039 0.000 1.044 350 V CA -1.056 61.219 62.300 -0.041 0.000 1.095 350 V CB 0.533 32.318 31.823 -0.063 0.000 0.952 350 V HN 0.214 nan 8.190 nan 0.000 0.485 351 P HA 0.329 nan 4.420 nan 0.000 0.271 351 P C -0.700 176.553 177.300 -0.078 0.000 1.226 351 P CA -0.206 62.871 63.100 -0.039 0.000 0.765 351 P CB 0.531 32.213 31.700 -0.031 0.000 0.835 352 R N 2.677 123.120 120.500 -0.095 0.000 2.234 352 R HA 0.445 4.785 4.340 0.000 0.000 0.324 352 R C -0.046 176.060 176.300 -0.324 0.000 1.054 352 R CA -0.311 55.637 56.100 -0.253 0.000 0.912 352 R CB 0.328 30.437 30.300 -0.319 0.000 1.030 352 R HN 0.471 nan 8.270 nan 0.000 0.455 353 L N 4.369 125.389 121.223 -0.339 0.000 2.296 353 L HA 0.423 4.763 4.340 0.000 0.000 0.286 353 L C -0.796 175.883 176.870 -0.319 0.000 1.023 353 L CA -0.768 53.942 54.840 -0.216 0.000 0.812 353 L CB 0.804 42.805 42.059 -0.096 0.000 1.223 353 L HN 0.517 nan 8.230 nan 0.000 0.421 354 Y N 1.793 122.102 120.300 0.016 0.000 2.328 354 Y HA 0.528 5.078 4.550 0.000 0.000 0.337 354 Y C 0.565 176.476 175.900 0.018 0.000 1.008 354 Y CA -0.312 57.801 58.100 0.021 0.000 1.129 354 Y CB 1.873 40.344 38.460 0.019 0.000 1.185 354 Y HN 0.649 nan 8.280 nan 0.000 0.476 355 S N 1.306 117.091 115.700 0.142 0.000 2.776 355 S HA 0.997 5.467 4.470 0.000 0.000 0.292 355 S C -0.318 174.330 174.600 0.079 0.000 1.187 355 S CA -0.356 57.897 58.200 0.089 0.000 0.834 355 S CB 1.957 65.186 63.200 0.049 0.000 1.199 355 S HN 1.417 nan 8.310 nan 0.000 0.514 356 G N 0.000 108.833 108.800 0.055 0.000 5.446 356 G HA2 0.000 3.960 3.960 0.000 0.000 0.244 356 G HA3 0.000 3.960 3.960 0.000 0.000 0.244 356 G CA 0.000 45.127 45.100 0.046 0.000 0.502 356 G HN 0.000 nan 8.290 nan 0.000 0.925