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 3oyv_1_A DATA FIRST_RESID 30 DATA SEQUENCE PTVDPANIDY TPENASSWHN YXRNVAALLK TDATNLYNAW NSSYKGGESY DATA SEQUENCE ASLFKAHSGS PYASALSCVE EIVDKCAEIA NEVGTAKIGD PYNLYKAGNT DATA SEQUENCE EEALYAVESW YSWHSRDDYT NNIYSIRNAY YGSLDGNINA NSLSTVIAGA DATA SEQUENCE NSSLDTKIKN AIQKAAKAIQ DIPQPFRNHI PSNETVAAXD ACAELESILK DATA SEQUENCE NDLKSYIANN SNNINTDAVL NPVVTQYVDA VVVPTYKSLK EKNDALYNAV DATA SEQUENCE IVLADNPSNS AFETACDAWI TAREPWEKSE AFLFGPVDEX GLDPNXDSWP DATA SEQUENCE LDQNAIVQIL NSQSWSDLEW SEGDDEAAVE SAQNVRGFHT LEFLLYKNGE DATA SEQUENCE PRKVQ 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 30 P HA 0.000 nan 4.420 nan 0.000 0.216 30 P C 0.000 177.285 177.300 -0.026 0.000 1.155 30 P CA 0.000 nan 63.100 nan 0.000 0.800 30 P CB 0.000 nan 31.700 nan 0.000 0.726 31 T N 0.846 115.383 114.554 -0.028 0.000 2.819 31 T HA 0.271 4.621 4.350 -0.000 0.000 0.282 31 T C 0.743 175.414 174.700 -0.047 0.000 1.013 31 T CA 0.435 62.514 62.100 -0.036 0.000 1.159 31 T CB -0.274 68.574 68.868 -0.033 0.000 1.007 31 T HN 0.630 nan 8.240 nan 0.000 0.514 32 V N 4.548 124.425 119.914 -0.061 0.000 2.585 32 V HA 0.067 4.187 4.120 -0.000 0.000 0.296 32 V C 0.416 176.422 176.094 -0.146 0.000 1.035 32 V CA -0.031 62.210 62.300 -0.099 0.000 1.084 32 V CB 0.682 32.438 31.823 -0.112 0.000 0.953 32 V HN 0.791 nan 8.190 nan 0.000 0.483 33 D N 7.123 127.442 120.400 -0.136 0.000 2.472 33 D HA 0.329 4.969 4.640 -0.000 0.000 0.234 33 D C -1.644 174.573 176.300 -0.140 0.000 1.088 33 D CA -1.564 52.368 54.000 -0.113 0.000 0.882 33 D CB 1.646 42.413 40.800 -0.055 0.000 1.037 33 D HN 0.321 nan 8.370 nan 0.000 0.520 34 P HA 0.014 nan 4.420 nan 0.000 0.230 34 P C 0.229 177.622 177.300 0.154 0.000 1.158 34 P CA 0.359 63.362 63.100 -0.161 0.000 0.769 34 P CB 0.255 31.825 31.700 -0.215 0.000 0.807 35 A N -0.069 122.814 122.820 0.106 0.000 2.519 35 A HA -0.250 4.070 4.320 -0.000 0.000 0.297 35 A C 0.278 178.001 177.584 0.232 0.000 1.472 35 A CA 0.440 52.582 52.037 0.176 0.000 0.739 35 A CB -2.837 16.294 19.000 0.218 0.000 1.096 35 A HN 0.420 nan 8.150 nan 0.000 0.414 36 N N -0.179 118.609 118.700 0.147 0.000 2.483 36 N HA 0.564 5.303 4.740 -0.000 0.000 0.264 36 N C -0.305 175.272 175.510 0.112 0.000 1.197 36 N CA 0.809 53.929 53.050 0.116 0.000 0.927 36 N CB 0.303 38.849 38.487 0.099 0.000 1.065 36 N HN 0.816 nan 8.380 nan 0.000 0.461 37 I N 1.660 122.291 120.570 0.102 0.000 2.841 37 I HA 0.329 4.499 4.170 -0.000 0.000 0.298 37 I C -1.698 174.538 176.117 0.198 0.000 1.304 37 I CA -0.742 60.656 61.300 0.164 0.000 1.019 37 I CB 1.763 39.895 38.000 0.219 0.000 1.282 37 I HN 0.489 nan 8.210 nan 0.000 0.432 38 D N 4.671 125.179 120.400 0.180 0.000 2.340 38 D HA 0.207 4.847 4.640 -0.000 0.000 0.240 38 D C -1.347 174.981 176.300 0.047 0.000 1.001 38 D CA -0.080 53.974 54.000 0.090 0.000 0.888 38 D CB 1.992 42.790 40.800 -0.003 0.000 1.310 38 D HN 0.405 nan 8.370 nan 0.000 0.474 39 Y N 1.498 121.506 120.300 -0.486 0.000 2.544 39 Y HA 0.214 4.763 4.550 -0.000 0.000 0.330 39 Y C 0.340 176.064 175.900 -0.293 0.000 1.136 39 Y CA 0.405 58.066 58.100 -0.732 0.000 1.417 39 Y CB 0.301 38.147 38.460 -1.023 0.000 1.229 39 Y HN 0.278 nan 8.280 nan 0.000 0.532 40 T N 3.156 117.384 114.554 -0.544 0.000 2.865 40 T HA 0.407 4.757 4.350 -0.000 0.000 0.294 40 T C -2.377 172.040 174.700 -0.473 0.000 1.119 40 T CA -2.151 59.738 62.100 -0.351 0.000 1.007 40 T CB 1.958 70.732 68.868 -0.156 0.000 1.225 40 T HN 0.266 nan 8.240 nan 0.000 0.515 41 P HA -0.021 nan 4.420 nan 0.000 0.218 41 P C 0.998 178.193 177.300 -0.175 0.000 1.148 41 P CA 1.064 64.042 63.100 -0.202 0.000 0.822 41 P CB 0.094 31.737 31.700 -0.095 0.000 0.784 42 E N -0.714 119.406 120.200 -0.133 0.000 2.216 42 E HA -0.103 4.247 4.350 -0.000 0.000 0.192 42 E C 1.249 177.809 176.600 -0.067 0.000 0.988 42 E CA 0.959 57.313 56.400 -0.076 0.000 0.834 42 E CB -0.685 28.989 29.700 -0.043 0.000 0.772 42 E HN 0.435 nan 8.360 nan 0.000 0.479 43 N N -0.713 117.930 118.700 -0.096 0.000 2.236 43 N HA 0.176 4.916 4.740 -0.000 0.000 0.196 43 N C 1.143 176.624 175.510 -0.047 0.000 1.114 43 N CA 0.599 53.649 53.050 -0.000 0.000 0.859 43 N CB 0.143 38.715 38.487 0.142 0.000 0.982 43 N HN 0.063 nan 8.380 nan 0.000 0.493 44 A N 0.477 123.108 122.820 -0.315 0.000 1.933 44 A HA -0.073 4.247 4.320 -0.000 0.000 0.218 44 A C 2.269 179.567 177.584 -0.475 0.000 1.175 44 A CA 1.618 53.323 52.037 -0.555 0.000 0.628 44 A CB -0.842 17.780 19.000 -0.630 0.000 0.814 44 A HN 0.338 nan 8.150 nan 0.000 0.444 45 S N -0.586 114.989 115.700 -0.208 0.000 2.368 45 S HA -0.131 4.339 4.470 -0.000 0.000 0.224 45 S C 2.341 177.029 174.600 0.145 0.000 1.029 45 S CA 1.421 59.602 58.200 -0.032 0.000 0.988 45 S CB -0.344 62.895 63.200 0.066 0.000 0.838 45 S HN 0.700 nan 8.310 nan 0.000 0.462 46 S N 0.325 116.125 115.700 0.168 0.000 2.368 46 S HA -0.132 4.337 4.470 -0.000 0.000 0.225 46 S C 1.579 176.353 174.600 0.290 0.000 1.030 46 S CA 1.006 59.363 58.200 0.261 0.000 0.999 46 S CB -0.430 62.882 63.200 0.187 0.000 0.844 46 S HN 0.725 nan 8.310 nan 0.000 0.459 47 W N 2.034 123.389 121.300 0.092 0.000 2.355 47 W HA -0.134 4.526 4.660 0.000 0.000 0.309 47 W C 2.047 178.738 176.519 0.287 0.000 1.206 47 W CA 1.856 59.318 57.345 0.194 0.000 1.284 47 W CB -1.193 28.428 29.460 0.268 0.000 1.145 47 W HN 0.640 nan 8.180 nan 0.000 0.502 48 H N -0.602 118.767 119.070 0.498 0.000 2.290 48 H HA -0.186 4.370 4.556 -0.000 0.000 0.298 48 H C 2.056 177.562 175.328 0.297 0.000 1.087 48 H CA 1.515 57.752 56.048 0.314 0.000 1.291 48 H CB -0.361 29.542 29.762 0.235 0.000 1.369 48 H HN 0.016 nan 8.280 nan 0.000 0.492 49 N N 0.227 119.259 118.700 0.552 0.000 2.120 49 N HA -0.153 4.587 4.740 -0.000 0.000 0.188 49 N C 0.739 176.619 175.510 0.616 0.000 1.024 49 N CA 0.745 54.228 53.050 0.722 0.000 0.852 49 N CB -0.442 38.543 38.487 0.830 0.000 1.003 49 N HN 0.220 nan 8.380 nan 0.000 0.424 53 N N 0.631 119.450 118.700 0.198 0.000 2.069 53 N HA -0.109 4.630 4.740 -0.000 0.000 0.191 53 N C 1.521 177.005 175.510 -0.043 0.000 1.031 53 N CA 2.274 55.470 53.050 0.242 0.000 0.852 53 N CB 0.018 38.634 38.487 0.215 0.000 1.018 53 N HN 0.163 nan 8.380 nan 0.000 0.423 54 V N 0.411 120.153 119.914 -0.286 0.000 2.427 54 V HA -0.125 3.995 4.120 -0.000 0.000 0.248 54 V C 2.274 178.300 176.094 -0.113 0.000 1.051 54 V CA 1.758 63.900 62.300 -0.264 0.000 1.048 54 V CB -1.042 30.564 31.823 -0.361 0.000 0.666 54 V HN 0.469 nan 8.190 nan 0.000 0.456 55 A N -0.029 122.772 122.820 -0.031 0.000 1.930 55 A HA -0.022 4.298 4.320 -0.000 0.000 0.217 55 A C 2.417 180.070 177.584 0.115 0.000 1.175 55 A CA 1.778 53.852 52.037 0.063 0.000 0.627 55 A CB -0.646 18.430 19.000 0.126 0.000 0.815 55 A HN 0.538 nan 8.150 nan 0.000 0.443 56 A N -0.064 122.840 122.820 0.140 0.000 1.902 56 A HA -0.049 4.271 4.320 -0.000 0.000 0.217 56 A C 2.150 179.688 177.584 -0.077 0.000 1.181 56 A CA 1.488 53.509 52.037 -0.026 0.000 0.623 56 A CB -0.606 18.448 19.000 0.089 0.000 0.818 56 A HN 0.468 nan 8.150 nan 0.000 0.443 57 L N -0.838 120.359 121.223 -0.042 0.000 2.046 57 L HA -0.172 4.168 4.340 -0.000 0.000 0.208 57 L C 2.584 179.378 176.870 -0.127 0.000 1.077 57 L CA 1.026 55.825 54.840 -0.067 0.000 0.747 57 L CB -0.503 41.520 42.059 -0.060 0.000 0.896 57 L HN 0.368 nan 8.230 nan 0.000 0.432 58 L N -0.098 121.018 121.223 -0.177 0.000 2.046 58 L HA -0.243 4.097 4.340 -0.000 0.000 0.208 58 L C 2.743 179.490 176.870 -0.205 0.000 1.077 58 L CA 1.388 56.057 54.840 -0.285 0.000 0.747 58 L CB -0.375 41.434 42.059 -0.417 0.000 0.896 58 L HN 0.266 nan 8.230 nan 0.000 0.432 59 K N -0.557 119.750 120.400 -0.156 0.000 2.025 59 K HA -0.166 4.154 4.320 -0.000 0.000 0.207 59 K C 1.985 178.513 176.600 -0.119 0.000 1.049 59 K CA 1.886 58.087 56.287 -0.143 0.000 0.933 59 K CB -0.085 32.269 32.500 -0.243 0.000 0.714 59 K HN 0.144 nan 8.250 nan 0.000 0.438 60 T N 1.582 116.063 114.554 -0.121 0.000 2.708 60 T HA -0.134 4.215 4.350 -0.000 0.000 0.266 60 T C 1.253 175.923 174.700 -0.049 0.000 1.037 60 T CA 1.685 63.739 62.100 -0.077 0.000 1.146 60 T CB -0.391 68.439 68.868 -0.064 0.000 0.865 60 T HN 0.326 nan 8.240 nan 0.000 0.435 61 D N 1.202 121.562 120.400 -0.067 0.000 2.097 61 D HA -0.024 4.616 4.640 -0.000 0.000 0.195 61 D C 2.382 178.667 176.300 -0.024 0.000 0.989 61 D CA 1.335 55.304 54.000 -0.051 0.000 0.827 61 D CB -0.510 40.236 40.800 -0.091 0.000 0.966 61 D HN 0.392 nan 8.370 nan 0.000 0.456 62 A N 0.295 123.094 122.820 -0.035 0.000 1.933 62 A HA -0.158 4.162 4.320 -0.000 0.000 0.218 62 A C 2.368 179.995 177.584 0.071 0.000 1.175 62 A CA 2.083 54.136 52.037 0.028 0.000 0.628 62 A CB -0.859 18.159 19.000 0.030 0.000 0.814 62 A HN 0.219 nan 8.150 nan 0.000 0.444 63 T N 0.767 115.351 114.554 0.050 0.000 2.746 63 T HA -0.125 4.225 4.350 -0.000 0.000 0.267 63 T C 1.808 176.576 174.700 0.114 0.000 1.039 63 T CA 1.525 63.685 62.100 0.101 0.000 1.142 63 T CB -0.383 68.514 68.868 0.048 0.000 0.866 63 T HN 0.504 nan 8.240 nan 0.000 0.444 64 N N 1.171 119.906 118.700 0.058 0.000 2.188 64 N HA 0.002 4.742 4.740 -0.000 0.000 0.184 64 N C 1.727 177.273 175.510 0.059 0.000 1.018 64 N CA 0.495 53.574 53.050 0.048 0.000 0.858 64 N CB -0.609 37.891 38.487 0.023 0.000 0.989 64 N HN 0.200 nan 8.380 nan 0.000 0.426 65 L N 0.349 121.601 121.223 0.047 0.000 2.017 65 L HA -0.152 4.188 4.340 -0.000 0.000 0.208 65 L C 2.178 179.095 176.870 0.078 0.000 1.073 65 L CA 1.614 56.453 54.840 -0.002 0.000 0.745 65 L CB -1.167 40.820 42.059 -0.120 0.000 0.894 65 L HN 0.149 nan 8.230 nan 0.000 0.432 66 Y N 0.694 120.994 120.300 0.000 0.000 2.145 66 Y HA -0.253 4.297 4.550 0.000 0.000 0.286 66 Y C 2.406 178.404 175.900 0.163 0.000 1.145 66 Y CA 2.112 60.277 58.100 0.108 0.000 1.148 66 Y CB -0.591 37.933 38.460 0.106 0.000 0.981 66 Y HN 0.365 nan 8.280 nan 0.000 0.507 67 N N 0.492 119.186 118.700 -0.009 0.000 2.223 67 N HA -0.139 4.601 4.740 -0.000 0.000 0.185 67 N C 1.950 177.448 175.510 -0.019 0.000 1.016 67 N CA 1.301 54.289 53.050 -0.103 0.000 0.863 67 N CB -0.680 37.803 38.487 -0.006 0.000 0.983 67 N HN 0.536 nan 8.380 nan 0.000 0.429 68 A N -0.246 122.609 122.820 0.058 0.000 1.898 68 A HA -0.100 4.219 4.320 -0.000 0.000 0.216 68 A C 2.041 179.664 177.584 0.064 0.000 1.181 68 A CA 0.938 53.031 52.037 0.093 0.000 0.620 68 A CB -0.907 18.151 19.000 0.096 0.000 0.819 68 A HN 0.357 nan 8.150 nan 0.000 0.442 69 W N -0.531 120.772 121.300 0.005 0.000 2.409 69 W HA -0.012 4.648 4.660 0.001 0.000 0.299 69 W C 2.195 178.711 176.519 -0.005 0.000 1.203 69 W CA 1.391 58.767 57.345 0.052 0.000 1.298 69 W CB -0.139 29.386 29.460 0.108 0.000 1.127 69 W HN 0.468 nan 8.180 nan 0.000 0.528 70 N N -2.059 116.670 118.700 0.048 0.000 2.388 70 N HA -0.022 4.718 4.740 -0.000 0.000 0.176 70 N C 1.364 176.830 175.510 -0.073 0.000 1.062 70 N CA 1.328 54.322 53.050 -0.094 0.000 0.895 70 N CB 0.174 38.340 38.487 -0.536 0.000 1.018 70 N HN -0.177 nan 8.380 nan 0.000 0.456 71 S N -1.973 113.689 115.700 -0.063 0.000 3.148 71 S HA 0.320 4.790 4.470 -0.000 0.000 0.246 71 S C -0.336 174.274 174.600 0.017 0.000 1.041 71 S CA -0.386 57.797 58.200 -0.028 0.000 0.813 71 S CB 0.457 63.628 63.200 -0.048 0.000 0.813 71 S HN 0.161 nan 8.310 nan 0.000 0.546 72 S N 0.212 115.934 115.700 0.037 0.000 2.584 72 S HA 0.482 4.952 4.470 -0.000 0.000 0.280 72 S C -2.211 172.461 174.600 0.121 0.000 1.162 72 S CA -0.509 57.731 58.200 0.067 0.000 0.951 72 S CB 0.876 64.096 63.200 0.033 0.000 1.108 72 S HN 0.333 nan 8.310 nan 0.000 0.464 73 Y N 5.120 125.422 120.300 0.002 0.000 2.385 73 Y HA 0.487 5.036 4.550 -0.002 0.000 0.341 73 Y C 0.516 176.427 175.900 0.018 0.000 0.965 73 Y CA -0.180 57.928 58.100 0.013 0.000 1.180 73 Y CB 0.481 38.982 38.460 0.069 0.000 1.139 73 Y HN 0.894 nan 8.280 nan 0.000 0.502 74 K N 4.886 125.093 120.400 -0.321 0.000 3.077 74 K HA -0.241 4.079 4.320 -0.000 0.000 0.264 74 K C 0.938 177.455 176.600 -0.138 0.000 1.008 74 K CA 0.871 56.973 56.287 -0.309 0.000 0.740 74 K CB -1.615 30.567 32.500 -0.530 0.000 1.273 74 K HN 1.281 nan 8.250 nan 0.000 0.477 75 G N -2.016 106.744 108.800 -0.067 0.000 2.212 75 G HA2 -0.319 3.641 3.960 -0.000 0.000 0.266 75 G HA3 -0.319 3.641 3.960 -0.000 0.000 0.266 75 G C 0.508 175.405 174.900 -0.005 0.000 0.978 75 G CA 0.556 45.639 45.100 -0.029 0.000 0.632 75 G HN 0.823 nan 8.290 nan 0.000 0.537 76 G N -0.205 108.601 108.800 0.012 0.000 2.890 76 G HA2 0.661 4.621 3.960 -0.000 0.000 0.189 76 G HA3 0.661 4.621 3.960 -0.000 0.000 0.189 76 G C 0.241 175.177 174.900 0.059 0.000 1.342 76 G CA 0.166 45.288 45.100 0.036 0.000 1.026 76 G HN 0.980 nan 8.290 nan 0.000 0.579 77 E N -0.219 120.018 120.200 0.062 0.000 2.438 77 E HA 0.285 4.635 4.350 -0.000 0.000 0.261 77 E C 0.506 177.157 176.600 0.084 0.000 1.103 77 E CA 0.112 56.544 56.400 0.054 0.000 0.959 77 E CB 0.445 30.163 29.700 0.030 0.000 0.958 77 E HN 0.434 nan 8.360 nan 0.000 0.447 78 S N 1.150 116.887 115.700 0.061 0.000 2.576 78 S HA -0.100 4.370 4.470 -0.000 0.000 0.272 78 S C 0.606 175.217 174.600 0.017 0.000 1.352 78 S CA -0.443 57.800 58.200 0.072 0.000 1.021 78 S CB 0.366 63.605 63.200 0.065 0.000 0.887 78 S HN 0.645 nan 8.310 nan 0.000 0.542 79 Y N 1.782 121.947 120.300 -0.224 0.000 2.293 79 Y HA 0.019 4.568 4.550 -0.001 0.000 0.291 79 Y C 2.531 178.224 175.900 -0.347 0.000 1.137 79 Y CA 1.545 59.298 58.100 -0.579 0.000 1.202 79 Y CB -0.913 36.755 38.460 -1.318 0.000 0.990 79 Y HN 0.882 nan 8.280 nan 0.000 0.537 80 A N -0.917 121.963 122.820 0.100 0.000 1.883 80 A HA -0.216 4.104 4.320 -0.000 0.000 0.217 80 A C 2.440 180.113 177.584 0.149 0.000 1.186 80 A CA 2.187 54.417 52.037 0.322 0.000 0.624 80 A CB -1.164 18.054 19.000 0.363 0.000 0.822 80 A HN 0.435 nan 8.150 nan 0.000 0.444 81 S N -0.574 115.163 115.700 0.061 0.000 2.368 81 S HA -0.129 4.341 4.470 -0.000 0.000 0.225 81 S C 1.905 176.484 174.600 -0.034 0.000 1.030 81 S CA 1.308 59.520 58.200 0.020 0.000 0.999 81 S CB -0.511 62.697 63.200 0.012 0.000 0.844 81 S HN 0.550 nan 8.310 nan 0.000 0.459 82 L N 0.013 121.169 121.223 -0.111 0.000 1.989 82 L HA -0.125 4.215 4.340 -0.000 0.000 0.211 82 L C 2.179 178.983 176.870 -0.110 0.000 1.071 82 L CA 1.689 56.426 54.840 -0.171 0.000 0.749 82 L CB -0.315 41.522 42.059 -0.370 0.000 0.890 82 L HN 0.268 nan 8.230 nan 0.000 0.431 83 F N 0.758 120.528 119.950 -0.300 0.000 2.146 83 F HA -0.184 4.343 4.527 -0.000 0.000 0.298 83 F C 2.413 178.237 175.800 0.041 0.000 1.096 83 F CA 1.668 59.592 58.000 -0.128 0.000 1.275 83 F CB -0.144 38.844 39.000 -0.020 0.000 1.008 83 F HN -0.032 nan 8.300 nan 0.000 0.480 84 K N -0.337 120.141 120.400 0.129 0.000 2.148 84 K HA -0.075 4.245 4.320 -0.000 0.000 0.204 84 K C 2.179 178.642 176.600 -0.229 0.000 1.050 84 K CA 1.028 57.340 56.287 0.042 0.000 0.942 84 K CB -0.362 32.186 32.500 0.080 0.000 0.724 84 K HN 0.303 nan 8.250 nan 0.000 0.446 85 A N 1.545 124.209 122.820 -0.259 0.000 1.930 85 A HA -0.116 4.204 4.320 -0.000 0.000 0.215 85 A C 0.240 177.406 177.584 -0.696 0.000 1.176 85 A CA 1.116 52.907 52.037 -0.411 0.000 0.632 85 A CB -0.796 18.090 19.000 -0.190 0.000 0.819 85 A HN 0.648 nan 8.150 nan 0.000 0.445 86 H N -0.128 118.887 119.070 -0.092 0.000 2.394 86 H HA -0.135 4.420 4.556 -0.002 0.000 0.322 86 H C 0.410 175.717 175.328 -0.036 0.000 1.012 86 H CA 0.667 56.667 56.048 -0.079 0.000 1.084 86 H CB -2.468 27.191 29.762 -0.171 0.000 1.597 86 H HN 0.454 nan 8.280 nan 0.000 0.375 87 S N -0.790 114.918 115.700 0.015 0.000 2.554 87 S HA 0.559 5.029 4.470 -0.000 0.000 0.226 87 S C 0.955 175.569 174.600 0.023 0.000 0.980 87 S CA 0.029 58.233 58.200 0.008 0.000 0.939 87 S CB 1.188 64.366 63.200 -0.037 0.000 0.832 87 S HN 1.334 nan 8.310 nan 0.000 0.486 88 G N 0.511 109.333 108.800 0.037 0.000 2.523 88 G HA2 0.458 4.417 3.960 -0.000 0.000 0.291 88 G HA3 0.458 4.417 3.960 -0.000 0.000 0.291 88 G C -1.066 173.840 174.900 0.009 0.000 1.450 88 G CA -0.474 44.638 45.100 0.020 0.000 0.790 88 G HN 0.220 nan 8.290 nan 0.000 0.496 89 S N 0.100 115.791 115.700 -0.016 0.000 2.558 89 S HA 0.270 4.740 4.470 -0.000 0.000 0.291 89 S C -0.428 174.123 174.600 -0.082 0.000 1.306 89 S CA 0.102 58.265 58.200 -0.061 0.000 1.056 89 S CB 0.785 63.958 63.200 -0.045 0.000 0.836 89 S HN 0.474 nan 8.310 nan 0.000 0.504 90 P HA 0.176 nan 4.420 nan 0.000 0.255 90 P C -1.041 175.896 177.300 -0.606 0.000 1.248 90 P CA 0.345 63.193 63.100 -0.421 0.000 0.807 90 P CB -0.028 31.336 31.700 -0.561 0.000 1.150 91 Y N 0.082 120.402 120.300 0.033 0.000 2.646 91 Y HA 0.569 5.122 4.550 0.005 0.000 0.334 91 Y C 1.097 176.993 175.900 -0.006 0.000 1.004 91 Y CA -1.063 57.028 58.100 -0.016 0.000 1.301 91 Y CB 0.958 39.386 38.460 -0.053 0.000 1.093 91 Y HN -0.109 nan 8.280 nan 0.000 0.530 92 A N 1.439 124.312 122.820 0.087 0.000 2.348 92 A HA 0.429 4.749 4.320 -0.000 0.000 0.224 92 A C 0.559 178.183 177.584 0.068 0.000 1.227 92 A CA 0.576 52.653 52.037 0.068 0.000 0.885 92 A CB 0.074 19.088 19.000 0.023 0.000 0.933 92 A HN 0.502 nan 8.150 nan 0.000 0.506 93 S N -3.302 112.384 115.700 -0.023 0.000 2.588 93 S HA 0.629 5.099 4.470 -0.000 0.000 0.269 93 S C 0.695 174.919 174.600 -0.626 0.000 1.157 93 S CA 0.012 58.102 58.200 -0.184 0.000 0.824 93 S CB 1.137 64.269 63.200 -0.114 0.000 1.126 93 S HN 0.908 nan 8.310 nan 0.000 0.464 94 A N 0.664 122.970 122.820 -0.857 0.000 1.933 94 A HA 0.053 4.373 4.320 -0.000 0.000 0.218 94 A C 1.999 179.342 177.584 -0.401 0.000 1.175 94 A CA 1.656 53.207 52.037 -0.809 0.000 0.628 94 A CB -0.997 17.721 19.000 -0.470 0.000 0.814 94 A HN 1.124 nan 8.150 nan 0.000 0.444 95 L N 1.039 122.110 121.223 -0.254 0.000 2.012 95 L HA -0.193 4.147 4.340 -0.000 0.000 0.210 95 L C 2.745 179.536 176.870 -0.132 0.000 1.073 95 L CA 2.983 57.731 54.840 -0.153 0.000 0.748 95 L CB -0.797 41.202 42.059 -0.100 0.000 0.891 95 L HN 0.512 nan 8.230 nan 0.000 0.431 96 S N -1.972 113.657 115.700 -0.119 0.000 2.382 96 S HA -0.219 4.251 4.470 -0.000 0.000 0.228 96 S C 2.134 176.718 174.600 -0.028 0.000 1.027 96 S CA 1.127 59.318 58.200 -0.016 0.000 0.991 96 S CB -1.624 61.615 63.200 0.064 0.000 0.823 96 S HN 0.589 nan 8.310 nan 0.000 0.469 97 C N 1.244 120.390 119.300 -0.256 0.000 2.413 97 C HA 0.017 4.477 4.460 -0.000 0.000 0.276 97 C C 2.807 177.656 174.990 -0.234 0.000 1.236 97 C CA 0.736 59.455 59.018 -0.499 0.000 1.735 97 C CB -1.453 25.741 27.740 -0.909 0.000 2.031 97 C HN 0.538 nan 8.230 nan 0.000 0.474 98 V N 0.681 120.470 119.914 -0.209 0.000 2.515 98 V HA -0.179 3.941 4.120 -0.000 0.000 0.250 98 V C 2.324 178.362 176.094 -0.093 0.000 1.058 98 V CA 1.808 64.017 62.300 -0.151 0.000 1.064 98 V CB -0.710 31.039 31.823 -0.124 0.000 0.675 98 V HN 0.604 nan 8.190 nan 0.000 0.461 99 E N -0.082 120.078 120.200 -0.066 0.000 2.110 99 E HA -0.280 4.070 4.350 -0.000 0.000 0.193 99 E C 2.209 178.791 176.600 -0.030 0.000 0.988 99 E CA 1.433 57.816 56.400 -0.028 0.000 0.804 99 E CB -0.057 29.638 29.700 -0.008 0.000 0.745 99 E HN 0.590 nan 8.360 nan 0.000 0.458 100 E N 1.143 121.314 120.200 -0.048 0.000 2.047 100 E HA -0.157 4.193 4.350 -0.000 0.000 0.191 100 E C 1.850 178.333 176.600 -0.194 0.000 0.987 100 E CA 0.972 57.301 56.400 -0.120 0.000 0.799 100 E CB -0.169 29.421 29.700 -0.182 0.000 0.752 100 E HN 0.215 nan 8.360 nan 0.000 0.449 101 I N -0.300 120.159 120.570 -0.185 0.000 2.163 101 I HA -0.295 3.875 4.170 -0.000 0.000 0.243 101 I C 2.221 178.333 176.117 -0.009 0.000 1.085 101 I CA 1.102 62.326 61.300 -0.128 0.000 1.347 101 I CB -0.292 37.505 38.000 -0.339 0.000 1.044 101 I HN 0.066 nan 8.210 nan 0.000 0.408 102 V N 0.398 120.301 119.914 -0.019 0.000 2.379 102 V HA -0.254 3.866 4.120 -0.000 0.000 0.245 102 V C 2.054 178.162 176.094 0.023 0.000 1.044 102 V CA 1.810 64.122 62.300 0.019 0.000 1.036 102 V CB -0.657 31.178 31.823 0.020 0.000 0.664 102 V HN 0.375 nan 8.190 nan 0.000 0.453 103 D N 0.115 120.523 120.400 0.014 0.000 2.123 103 D HA -0.143 4.497 4.640 -0.000 0.000 0.196 103 D C 2.248 178.577 176.300 0.049 0.000 0.992 103 D CA 1.102 55.117 54.000 0.026 0.000 0.833 103 D CB -0.155 40.660 40.800 0.025 0.000 0.954 103 D HN 0.280 nan 8.370 nan 0.000 0.455 104 K N 0.108 120.551 120.400 0.073 0.000 2.228 104 K HA 0.018 4.338 4.320 -0.000 0.000 0.202 104 K C 2.260 178.931 176.600 0.119 0.000 1.051 104 K CA 0.094 56.462 56.287 0.136 0.000 0.960 104 K CB -0.464 32.192 32.500 0.261 0.000 0.743 104 K HN 0.229 nan 8.250 nan 0.000 0.458 105 C N 0.826 120.190 119.300 0.105 0.000 2.432 105 C HA -0.078 4.382 4.460 -0.000 0.000 0.277 105 C C 2.868 177.869 174.990 0.018 0.000 1.249 105 C CA 0.990 60.048 59.018 0.067 0.000 1.725 105 C CB -0.866 26.912 27.740 0.064 0.000 2.028 105 C HN 0.508 nan 8.230 nan 0.000 0.477 106 A N 0.161 122.989 122.820 0.014 0.000 1.908 106 A HA -0.258 4.061 4.320 -0.000 0.000 0.218 106 A C 2.099 179.683 177.584 -0.000 0.000 1.181 106 A CA 2.060 54.095 52.037 -0.003 0.000 0.627 106 A CB -0.727 18.273 19.000 0.001 0.000 0.818 106 A HN 0.726 nan 8.150 nan 0.000 0.445 107 E N -0.813 119.399 120.200 0.021 0.000 2.077 107 E HA -0.205 4.145 4.350 -0.000 0.000 0.193 107 E C 1.792 178.395 176.600 0.004 0.000 0.989 107 E CA 1.401 57.816 56.400 0.024 0.000 0.800 107 E CB -0.192 29.540 29.700 0.053 0.000 0.746 107 E HN 0.500 nan 8.360 nan 0.000 0.452 108 I N 0.754 121.322 120.570 -0.004 0.000 2.394 108 I HA -0.143 4.027 4.170 -0.000 0.000 0.251 108 I C 2.062 178.141 176.117 -0.063 0.000 1.136 108 I CA 1.319 62.596 61.300 -0.038 0.000 1.425 108 I CB -0.351 37.612 38.000 -0.060 0.000 1.079 108 I HN 0.163 nan 8.210 nan 0.000 0.425 109 A N 0.212 122.997 122.820 -0.059 0.000 1.908 109 A HA -0.279 4.041 4.320 -0.000 0.000 0.218 109 A C 2.201 179.741 177.584 -0.074 0.000 1.181 109 A CA 2.126 54.118 52.037 -0.076 0.000 0.627 109 A CB -1.055 17.903 19.000 -0.070 0.000 0.818 109 A HN 0.556 nan 8.150 nan 0.000 0.445 110 N N -0.121 118.549 118.700 -0.050 0.000 2.084 110 N HA -0.158 4.581 4.740 -0.000 0.000 0.190 110 N C 1.638 177.118 175.510 -0.050 0.000 1.030 110 N CA 2.025 55.050 53.050 -0.041 0.000 0.849 110 N CB -0.340 38.136 38.487 -0.018 0.000 1.012 110 N HN 0.629 nan 8.380 nan 0.000 0.423 111 E N -0.641 119.530 120.200 -0.047 0.000 2.077 111 E HA -0.121 4.229 4.350 -0.000 0.000 0.193 111 E C 1.990 178.518 176.600 -0.121 0.000 0.989 111 E CA 1.244 57.612 56.400 -0.053 0.000 0.800 111 E CB -0.027 29.656 29.700 -0.028 0.000 0.746 111 E HN 0.128 nan 8.360 nan 0.000 0.452 112 V N 0.599 120.415 119.914 -0.163 0.000 2.261 112 V HA -0.218 3.901 4.120 -0.000 0.000 0.246 112 V C 2.273 178.215 176.094 -0.252 0.000 1.047 112 V CA 2.097 64.231 62.300 -0.277 0.000 1.015 112 V CB -0.961 30.721 31.823 -0.236 0.000 0.642 112 V HN 0.440 nan 8.190 nan 0.000 0.446 113 G N -0.136 108.565 108.800 -0.166 0.000 2.394 113 G HA2 -0.228 3.732 3.960 -0.000 0.000 0.214 113 G HA3 -0.228 3.732 3.960 -0.000 0.000 0.214 113 G C 1.763 176.602 174.900 -0.102 0.000 1.176 113 G CA 1.580 46.594 45.100 -0.142 0.000 0.786 113 G HN 0.569 nan 8.290 nan 0.000 0.533 114 T N -2.463 112.049 114.554 -0.070 0.000 3.044 114 T HA 0.532 4.881 4.350 -0.000 0.000 0.255 114 T C 2.215 176.915 174.700 -0.000 0.000 1.073 114 T CA 1.373 63.458 62.100 -0.025 0.000 1.125 114 T CB 0.298 69.159 68.868 -0.011 0.000 0.908 114 T HN 0.297 nan 8.240 nan 0.000 0.480 115 A N 1.850 124.656 122.820 -0.024 0.000 1.983 115 A HA 0.388 4.707 4.320 -0.000 0.000 0.207 115 A C 2.267 179.848 177.584 -0.005 0.000 1.412 115 A CA 0.275 52.318 52.037 0.010 0.000 0.750 115 A CB -0.094 18.919 19.000 0.022 0.000 1.047 115 A HN 0.342 nan 8.150 nan 0.000 0.504 116 K N -0.006 120.310 120.400 -0.139 0.000 2.057 116 K HA -0.020 4.300 4.320 -0.000 0.000 0.207 116 K C 1.707 178.229 176.600 -0.129 0.000 1.049 116 K CA 1.739 57.856 56.287 -0.282 0.000 0.931 116 K CB -0.283 31.696 32.500 -0.868 0.000 0.714 116 K HN 0.508 nan 8.250 nan 0.000 0.440 117 I N -0.214 120.257 120.570 -0.165 0.000 2.556 117 I HA -0.043 4.126 4.170 -0.000 0.000 0.251 117 I C 2.512 178.743 176.117 0.189 0.000 1.105 117 I CA 0.793 62.095 61.300 0.003 0.000 1.436 117 I CB -0.432 37.425 38.000 -0.239 0.000 1.139 117 I HN 0.203 nan 8.210 nan 0.000 0.438 118 G N 0.714 109.566 108.800 0.085 0.000 2.408 118 G HA2 -0.208 3.751 3.960 -0.000 0.000 0.217 118 G HA3 -0.208 3.751 3.960 -0.000 0.000 0.217 118 G C 1.209 176.231 174.900 0.203 0.000 1.150 118 G CA 0.795 45.980 45.100 0.142 0.000 0.776 118 G HN 0.237 nan 8.290 nan 0.000 0.542 119 D N 1.307 121.803 120.400 0.161 0.000 2.084 119 D HA -0.056 4.584 4.640 -0.000 0.000 0.194 119 D C 0.182 176.586 176.300 0.174 0.000 0.990 119 D CA 1.046 55.138 54.000 0.152 0.000 0.826 119 D CB -1.336 39.544 40.800 0.134 0.000 0.971 119 D HN 0.222 nan 8.370 nan 0.000 0.453 120 P HA -0.153 nan 4.420 nan 0.000 0.215 120 P C 1.470 178.884 177.300 0.189 0.000 1.153 120 P CA 0.986 64.189 63.100 0.172 0.000 0.853 120 P CB -0.172 31.611 31.700 0.138 0.000 0.788 121 Y N 0.901 121.296 120.300 0.158 0.000 2.128 121 Y HA -0.228 4.322 4.550 -0.000 0.000 0.284 121 Y C 1.994 177.971 175.900 0.129 0.000 1.154 121 Y CA 1.762 59.944 58.100 0.135 0.000 1.149 121 Y CB -0.885 37.653 38.460 0.130 0.000 0.976 121 Y HN -0.122 nan 8.280 nan 0.000 0.505 122 N N 0.335 119.115 118.700 0.133 0.000 2.188 122 N HA -0.152 4.588 4.740 -0.000 0.000 0.184 122 N C 1.975 177.476 175.510 -0.015 0.000 1.018 122 N CA 1.512 54.583 53.050 0.035 0.000 0.858 122 N CB -0.574 37.984 38.487 0.117 0.000 0.989 122 N HN 0.405 nan 8.380 nan 0.000 0.426 123 L N -0.284 120.956 121.223 0.028 0.000 2.012 123 L HA -0.234 4.106 4.340 -0.000 0.000 0.210 123 L C 2.311 179.159 176.870 -0.036 0.000 1.073 123 L CA 1.371 56.213 54.840 0.004 0.000 0.748 123 L CB -0.513 41.565 42.059 0.030 0.000 0.891 123 L HN 0.145 nan 8.230 nan 0.000 0.431 124 Y N 0.847 121.059 120.300 -0.148 0.000 2.145 124 Y HA -0.231 4.318 4.550 -0.000 0.000 0.286 124 Y C 2.547 178.321 175.900 -0.209 0.000 1.145 124 Y CA 1.516 59.509 58.100 -0.178 0.000 1.148 124 Y CB 0.013 38.347 38.460 -0.208 0.000 0.981 124 Y HN -0.038 nan 8.280 nan 0.000 0.507 125 K N 0.115 120.466 120.400 -0.083 0.000 2.209 125 K HA -0.018 4.302 4.320 -0.000 0.000 0.204 125 K C 2.019 178.563 176.600 -0.092 0.000 1.048 125 K CA 1.006 57.218 56.287 -0.126 0.000 0.940 125 K CB -0.791 31.535 32.500 -0.290 0.000 0.729 125 K HN 0.389 nan 8.250 nan 0.000 0.451 126 A N 0.144 122.910 122.820 -0.091 0.000 2.235 126 A HA 0.217 4.537 4.320 -0.000 0.000 0.208 126 A C 1.460 178.986 177.584 -0.096 0.000 1.172 126 A CA 1.194 53.188 52.037 -0.072 0.000 0.786 126 A CB -0.320 18.650 19.000 -0.050 0.000 0.804 126 A HN 0.383 nan 8.150 nan 0.000 0.479 127 G N -0.666 108.041 108.800 -0.155 0.000 2.176 127 G HA2 -0.257 3.703 3.960 -0.000 0.000 0.232 127 G HA3 -0.257 3.703 3.960 -0.000 0.000 0.232 127 G C 0.086 174.857 174.900 -0.214 0.000 0.986 127 G CA 0.166 45.150 45.100 -0.194 0.000 0.643 127 G HN 0.610 nan 8.290 nan 0.000 0.522 128 N N 1.637 120.227 118.700 -0.183 0.000 3.303 128 N HA 0.350 5.090 4.740 -0.000 0.000 0.304 128 N C 1.744 177.136 175.510 -0.197 0.000 1.302 128 N CA 0.453 53.416 53.050 -0.144 0.000 1.213 128 N CB 0.482 38.923 38.487 -0.077 0.000 1.481 128 N HN 0.502 nan 8.380 nan 0.000 0.546 129 T N -2.264 112.090 114.554 -0.332 0.000 2.857 129 T HA -0.067 4.283 4.350 -0.000 0.000 0.266 129 T C 1.535 176.119 174.700 -0.193 0.000 1.048 129 T CA 0.814 62.610 62.100 -0.507 0.000 1.139 129 T CB 0.130 68.507 68.868 -0.818 0.000 0.874 129 T HN 0.139 nan 8.240 nan 0.000 0.455 130 E N 1.521 121.660 120.200 -0.102 0.000 2.107 130 E HA -0.040 4.309 4.350 -0.000 0.000 0.191 130 E C 2.281 178.957 176.600 0.126 0.000 0.982 130 E CA 0.902 57.324 56.400 0.036 0.000 0.809 130 E CB -0.257 29.479 29.700 0.061 0.000 0.756 130 E HN 0.715 nan 8.360 nan 0.000 0.459 131 E N 1.105 121.337 120.200 0.053 0.000 2.070 131 E HA -0.203 4.147 4.350 -0.000 0.000 0.197 131 E C 2.061 178.707 176.600 0.076 0.000 1.004 131 E CA 1.248 57.692 56.400 0.072 0.000 0.805 131 E CB -0.145 29.569 29.700 0.022 0.000 0.744 131 E HN 0.202 nan 8.360 nan 0.000 0.451 132 A N 0.928 123.763 122.820 0.025 0.000 1.883 132 A HA -0.204 4.116 4.320 -0.000 0.000 0.217 132 A C 2.137 179.687 177.584 -0.058 0.000 1.186 132 A CA 1.282 53.336 52.037 0.028 0.000 0.624 132 A CB -0.622 18.435 19.000 0.094 0.000 0.822 132 A HN 0.119 nan 8.150 nan 0.000 0.444 133 L N -1.900 119.232 121.223 -0.152 0.000 2.042 133 L HA -0.165 4.175 4.340 -0.000 0.000 0.210 133 L C 2.183 178.650 176.870 -0.673 0.000 1.076 133 L CA 1.701 56.265 54.840 -0.460 0.000 0.749 133 L CB -0.883 40.825 42.059 -0.584 0.000 0.893 133 L HN 0.533 nan 8.230 nan 0.000 0.432 134 Y N -1.726 118.436 120.300 -0.229 0.000 2.529 134 Y HA 0.149 4.698 4.550 -0.001 0.000 0.290 134 Y C 2.090 178.110 175.900 0.200 0.000 1.177 134 Y CA 0.442 58.498 58.100 -0.072 0.000 1.305 134 Y CB -0.451 38.044 38.460 0.059 0.000 1.047 134 Y HN 0.116 nan 8.280 nan 0.000 0.522 135 A N -0.531 122.435 122.820 0.243 0.000 2.178 135 A HA 0.150 4.470 4.320 -0.000 0.000 0.211 135 A C 0.711 178.634 177.584 0.565 0.000 1.157 135 A CA 0.058 52.315 52.037 0.367 0.000 0.780 135 A CB -0.388 18.744 19.000 0.219 0.000 0.828 135 A HN 0.035 nan 8.150 nan 0.000 0.476 136 V N 1.986 122.104 119.914 0.340 0.000 2.421 136 V HA 0.038 4.158 4.120 -0.000 0.000 0.271 136 V C 0.494 176.646 176.094 0.097 0.000 1.031 136 V CA -0.248 62.201 62.300 0.249 0.000 1.032 136 V CB 0.255 32.079 31.823 0.001 0.000 1.009 136 V HN 0.586 nan 8.190 nan 0.000 0.477 137 E N 3.734 123.818 120.200 -0.194 0.000 2.417 137 E HA 0.131 4.481 4.350 -0.000 0.000 0.261 137 E C 0.690 176.984 176.600 -0.511 0.000 1.000 137 E CA 0.580 56.333 56.400 -1.078 0.000 0.919 137 E CB 0.251 29.535 29.700 -0.695 0.000 0.955 137 E HN 0.865 nan 8.360 nan 0.000 0.455 138 S N 2.735 117.982 115.700 -0.756 0.000 3.315 138 S HA -0.150 4.319 4.470 -0.000 0.000 0.283 138 S C 0.544 175.060 174.600 -0.140 0.000 1.279 138 S CA 0.842 58.918 58.200 -0.208 0.000 0.984 138 S CB -1.725 61.559 63.200 0.140 0.000 1.184 138 S HN 0.858 nan 8.310 nan 0.000 0.653 139 W N 0.764 121.862 121.300 -0.338 0.000 2.467 139 W HA -0.095 4.565 4.660 -0.001 0.000 0.275 139 W C 1.043 177.622 176.519 0.100 0.000 1.239 139 W CA 1.032 58.317 57.345 -0.100 0.000 1.266 139 W CB -0.877 28.514 29.460 -0.115 0.000 1.112 139 W HN 0.489 nan 8.180 nan 0.000 0.576 140 Y N 3.000 122.861 120.300 -0.731 0.000 2.256 140 Y HA -0.219 4.331 4.550 -0.000 0.000 0.288 140 Y C 2.910 178.526 175.900 -0.474 0.000 1.155 140 Y CA 2.021 59.594 58.100 -0.878 0.000 1.203 140 Y CB -1.394 36.642 38.460 -0.708 0.000 0.980 140 Y HN 0.059 nan 8.280 nan 0.000 0.530 141 S N -3.539 111.935 115.700 -0.377 0.000 2.557 141 S HA 0.035 4.505 4.470 -0.000 0.000 0.223 141 S C -0.255 174.335 174.600 -0.016 0.000 0.969 141 S CA -0.251 57.550 58.200 -0.665 0.000 0.927 141 S CB -0.625 61.725 63.200 -1.416 0.000 0.806 141 S HN 0.465 nan 8.310 nan 0.000 0.489 142 W N 1.567 122.836 121.300 -0.052 0.000 5.538 142 W HA -0.220 4.440 4.660 -0.000 0.000 0.377 142 W C 0.608 177.161 176.519 0.057 0.000 1.406 142 W CA 0.581 57.957 57.345 0.053 0.000 0.940 142 W CB -2.945 26.560 29.460 0.075 0.000 2.536 142 W HN 0.796 nan 8.180 nan 0.000 1.504 143 H N -1.424 117.705 119.070 0.097 0.000 2.652 143 H HA 0.242 4.798 4.556 -0.000 0.000 0.274 143 H C 1.826 177.087 175.328 -0.111 0.000 1.021 143 H CA 1.225 57.290 56.048 0.028 0.000 1.187 143 H CB 0.351 30.168 29.762 0.092 0.000 1.505 143 H HN -0.071 nan 8.280 nan 0.000 0.530 144 S N 0.399 115.939 115.700 -0.267 0.000 2.365 144 S HA -0.216 4.254 4.470 -0.000 0.000 0.225 144 S C 1.997 175.967 174.600 -1.050 0.000 1.039 144 S CA 1.536 59.312 58.200 -0.707 0.000 1.033 144 S CB -0.105 62.894 63.200 -0.334 0.000 0.887 144 S HN 0.504 nan 8.310 nan 0.000 0.447 145 R N 1.112 121.280 120.500 -0.553 0.000 2.094 145 R HA -0.116 4.224 4.340 -0.000 0.000 0.239 145 R C 1.948 177.998 176.300 -0.417 0.000 1.137 145 R CA 1.757 57.595 56.100 -0.437 0.000 0.943 145 R CB -0.445 29.723 30.300 -0.221 0.000 0.850 145 R HN 0.350 nan 8.270 nan 0.000 0.433 146 D N 0.088 120.244 120.400 -0.406 0.000 2.144 146 D HA -0.149 4.491 4.640 -0.000 0.000 0.200 146 D C 1.513 177.558 176.300 -0.425 0.000 0.978 146 D CA 1.049 54.849 54.000 -0.333 0.000 0.833 146 D CB -0.446 40.241 40.800 -0.189 0.000 0.961 146 D HN 0.169 nan 8.370 nan 0.000 0.470 147 D N 0.009 119.965 120.400 -0.740 0.000 2.087 147 D HA -0.217 4.423 4.640 -0.000 0.000 0.192 147 D C 1.840 178.068 176.300 -0.120 0.000 0.993 147 D CA 1.229 54.980 54.000 -0.415 0.000 0.828 147 D CB -0.254 40.304 40.800 -0.403 0.000 0.968 147 D HN 0.160 nan 8.370 nan 0.000 0.448 148 Y N 0.749 120.911 120.300 -0.230 0.000 2.293 148 Y HA -0.007 4.543 4.550 0.000 0.000 0.291 148 Y C 2.814 178.562 175.900 -0.254 0.000 1.137 148 Y CA 1.113 59.086 58.100 -0.212 0.000 1.202 148 Y CB -1.324 37.001 38.460 -0.225 0.000 0.990 148 Y HN 0.025 nan 8.280 nan 0.000 0.537 149 T N 0.360 114.814 114.554 -0.168 0.000 2.746 149 T HA -0.163 4.187 4.350 -0.000 0.000 0.267 149 T C 1.776 176.235 174.700 -0.401 0.000 1.039 149 T CA 1.497 63.397 62.100 -0.332 0.000 1.142 149 T CB -0.297 68.383 68.868 -0.313 0.000 0.866 149 T HN 0.294 nan 8.240 nan 0.000 0.444 150 N N 1.533 120.127 118.700 -0.175 0.000 2.149 150 N HA -0.047 4.693 4.740 -0.000 0.000 0.188 150 N C 1.695 177.149 175.510 -0.092 0.000 1.019 150 N CA 0.994 54.019 53.050 -0.042 0.000 0.857 150 N CB -0.571 37.908 38.487 -0.013 0.000 0.997 150 N HN 0.573 nan 8.380 nan 0.000 0.426 151 N N 0.330 118.956 118.700 -0.122 0.000 2.166 151 N HA -0.077 4.662 4.740 -0.000 0.000 0.186 151 N C 1.358 176.781 175.510 -0.145 0.000 1.019 151 N CA 0.628 53.596 53.050 -0.136 0.000 0.856 151 N CB 0.043 38.468 38.487 -0.103 0.000 0.993 151 N HN 0.133 nan 8.380 nan 0.000 0.426 152 I N 0.326 120.776 120.570 -0.201 0.000 2.315 152 I HA -0.200 3.970 4.170 -0.000 0.000 0.248 152 I C 1.531 177.556 176.117 -0.154 0.000 1.117 152 I CA 1.211 62.380 61.300 -0.218 0.000 1.404 152 I CB -1.294 36.523 38.000 -0.305 0.000 1.071 152 I HN 0.171 nan 8.210 nan 0.000 0.419 153 Y N 0.868 121.105 120.300 -0.104 0.000 2.403 153 Y HA -0.136 4.414 4.550 -0.001 0.000 0.291 153 Y C 2.995 178.832 175.900 -0.105 0.000 1.143 153 Y CA 0.886 58.918 58.100 -0.112 0.000 1.257 153 Y CB -1.183 37.219 38.460 -0.097 0.000 0.984 153 Y HN 0.114 nan 8.280 nan 0.000 0.550 154 S N 0.012 115.728 115.700 0.027 0.000 2.370 154 S HA -0.170 4.300 4.470 -0.000 0.000 0.226 154 S C 2.048 176.683 174.600 0.058 0.000 1.033 154 S CA 1.415 59.608 58.200 -0.010 0.000 1.011 154 S CB -0.452 62.652 63.200 -0.161 0.000 0.852 154 S HN 0.434 nan 8.310 nan 0.000 0.457 155 I N 1.076 121.658 120.570 0.020 0.000 2.179 155 I HA -0.164 4.006 4.170 -0.000 0.000 0.242 155 I C 2.806 178.943 176.117 0.034 0.000 1.088 155 I CA 1.331 62.655 61.300 0.040 0.000 1.357 155 I CB -0.464 37.521 38.000 -0.024 0.000 1.051 155 I HN 0.303 nan 8.210 nan 0.000 0.409 156 R N 1.325 121.799 120.500 -0.043 0.000 2.094 156 R HA -0.230 4.110 4.340 -0.000 0.000 0.239 156 R C 2.119 178.308 176.300 -0.186 0.000 1.137 156 R CA 2.257 58.217 56.100 -0.233 0.000 0.943 156 R CB -0.291 29.863 30.300 -0.244 0.000 0.850 156 R HN 0.362 nan 8.270 nan 0.000 0.433 157 N N 0.534 119.214 118.700 -0.034 0.000 2.104 157 N HA -0.164 4.576 4.740 -0.000 0.000 0.190 157 N C 1.631 177.221 175.510 0.133 0.000 1.024 157 N CA 1.658 54.731 53.050 0.039 0.000 0.853 157 N CB -0.549 37.961 38.487 0.038 0.000 1.008 157 N HN 0.355 nan 8.380 nan 0.000 0.424 158 A N 0.036 122.983 122.820 0.212 0.000 1.902 158 A HA -0.189 4.131 4.320 -0.000 0.000 0.217 158 A C 2.176 179.966 177.584 0.343 0.000 1.181 158 A CA 1.217 53.478 52.037 0.373 0.000 0.623 158 A CB -0.976 18.297 19.000 0.455 0.000 0.818 158 A HN 0.399 nan 8.150 nan 0.000 0.443 159 Y N -1.425 118.965 120.300 0.150 0.000 2.314 159 Y HA -0.128 4.422 4.550 -0.001 0.000 0.293 159 Y C 1.807 177.897 175.900 0.316 0.000 1.129 159 Y CA 1.312 59.519 58.100 0.179 0.000 1.201 159 Y CB -0.149 38.392 38.460 0.135 0.000 0.999 159 Y HN 0.389 nan 8.280 nan 0.000 0.541 160 Y N -0.259 120.068 120.300 0.045 0.000 2.523 160 Y HA 0.276 4.826 4.550 -0.001 0.000 0.279 160 Y C 2.026 177.905 175.900 -0.034 0.000 1.139 160 Y CA -0.052 58.023 58.100 -0.042 0.000 1.296 160 Y CB -0.546 37.927 38.460 0.021 0.000 1.045 160 Y HN 0.158 nan 8.280 nan 0.000 0.538 161 G N 1.242 110.144 108.800 0.169 0.000 2.273 161 G HA2 -0.203 3.757 3.960 -0.000 0.000 0.280 161 G HA3 -0.203 3.757 3.960 -0.000 0.000 0.280 161 G C 0.172 175.111 174.900 0.064 0.000 1.047 161 G CA 0.650 45.814 45.100 0.106 0.000 0.869 161 G HN 0.593 nan 8.290 nan 0.000 0.502 162 S N -2.216 113.530 115.700 0.077 0.000 2.643 162 S HA 0.705 5.175 4.470 -0.000 0.000 0.270 162 S C 0.283 174.893 174.600 0.017 0.000 1.166 162 S CA -0.496 57.726 58.200 0.037 0.000 0.815 162 S CB 1.150 64.386 63.200 0.060 0.000 1.139 162 S HN 0.530 nan 8.310 nan 0.000 0.472 163 L N 0.167 121.383 121.223 -0.011 0.000 2.693 163 L HA 0.456 4.795 4.340 -0.000 0.000 0.235 163 L C -0.166 176.679 176.870 -0.042 0.000 1.127 163 L CA 0.079 54.898 54.840 -0.034 0.000 0.914 163 L CB 0.019 42.047 42.059 -0.051 0.000 1.193 163 L HN 0.633 nan 8.230 nan 0.000 0.502 164 D N -0.037 120.353 120.400 -0.016 0.000 2.673 164 D HA 0.231 4.870 4.640 -0.000 0.000 0.278 164 D C 1.237 177.538 176.300 0.002 0.000 1.393 164 D CA 0.574 54.554 54.000 -0.033 0.000 0.805 164 D CB 1.321 42.103 40.800 -0.030 0.000 1.110 164 D HN 0.190 nan 8.370 nan 0.000 0.476 165 G N 1.953 110.795 108.800 0.070 0.000 2.176 165 G HA2 -0.297 3.663 3.960 -0.000 0.000 0.253 165 G HA3 -0.297 3.663 3.960 -0.000 0.000 0.253 165 G C 0.408 175.479 174.900 0.284 0.000 0.979 165 G CA 0.406 45.606 45.100 0.167 0.000 0.641 165 G HN 0.475 nan 8.290 nan 0.000 0.530 166 N N 0.057 118.852 118.700 0.157 0.000 2.671 166 N HA 0.654 5.393 4.740 -0.000 0.000 0.303 166 N C -0.200 175.259 175.510 -0.086 0.000 1.277 166 N CA -1.234 51.818 53.050 0.003 0.000 0.933 166 N CB 0.789 39.258 38.487 -0.029 0.000 1.190 166 N HN 0.135 nan 8.380 nan 0.000 0.600 167 I N 1.159 121.594 120.570 -0.226 0.000 2.390 167 I HA 0.207 4.377 4.170 -0.000 0.000 0.283 167 I C 0.283 176.300 176.117 -0.166 0.000 1.016 167 I CA -0.561 60.536 61.300 -0.338 0.000 1.151 167 I CB 0.400 38.119 38.000 -0.470 0.000 1.293 167 I HN 0.603 nan 8.210 nan 0.000 0.458 168 N N 3.705 122.347 118.700 -0.096 0.000 2.508 168 N HA 0.114 4.853 4.740 -0.000 0.000 0.264 168 N C 1.099 176.565 175.510 -0.073 0.000 1.216 168 N CA 0.200 53.215 53.050 -0.059 0.000 0.943 168 N CB 1.950 40.425 38.487 -0.020 0.000 1.113 168 N HN 0.723 nan 8.380 nan 0.000 0.447 169 A N 3.730 126.517 122.820 -0.054 0.000 1.986 169 A HA -0.178 4.142 4.320 -0.000 0.000 0.220 169 A C 0.704 178.262 177.584 -0.044 0.000 1.171 169 A CA 1.411 53.418 52.037 -0.050 0.000 0.640 169 A CB -0.395 18.584 19.000 -0.034 0.000 0.811 169 A HN 0.841 nan 8.150 nan 0.000 0.451 170 N N 0.244 118.926 118.700 -0.030 0.000 3.194 170 N HA 0.357 5.097 4.740 -0.000 0.000 0.271 170 N C -0.813 174.687 175.510 -0.017 0.000 1.308 170 N CA 0.247 53.286 53.050 -0.017 0.000 1.042 170 N CB 0.787 39.275 38.487 0.002 0.000 1.310 170 N HN 0.424 nan 8.380 nan 0.000 0.502 171 S N -0.886 114.783 115.700 -0.051 0.000 2.588 171 S HA 0.399 4.869 4.470 -0.000 0.000 0.275 171 S C 0.733 175.255 174.600 -0.130 0.000 1.130 171 S CA -0.899 57.257 58.200 -0.074 0.000 0.855 171 S CB 1.150 64.287 63.200 -0.104 0.000 1.116 171 S HN 0.162 nan 8.310 nan 0.000 0.472 172 L N 1.339 122.466 121.223 -0.161 0.000 2.042 172 L HA -0.096 4.243 4.340 -0.000 0.000 0.210 172 L C 2.988 179.626 176.870 -0.387 0.000 1.076 172 L CA 1.789 56.517 54.840 -0.185 0.000 0.749 172 L CB -0.682 41.337 42.059 -0.065 0.000 0.893 172 L HN 0.930 nan 8.230 nan 0.000 0.432 173 S N -0.824 114.394 115.700 -0.803 0.000 2.370 173 S HA -0.218 4.252 4.470 -0.000 0.000 0.226 173 S C 1.973 176.400 174.600 -0.289 0.000 1.033 173 S CA 2.169 59.910 58.200 -0.766 0.000 1.011 173 S CB -0.200 62.563 63.200 -0.728 0.000 0.852 173 S HN 0.448 nan 8.310 nan 0.000 0.457 174 T N 1.470 115.888 114.554 -0.227 0.000 2.777 174 T HA -0.031 4.319 4.350 -0.000 0.000 0.266 174 T C 1.834 176.485 174.700 -0.081 0.000 1.040 174 T CA 1.374 63.395 62.100 -0.132 0.000 1.141 174 T CB -0.407 68.394 68.868 -0.111 0.000 0.868 174 T HN 0.269 nan 8.240 nan 0.000 0.444 175 V N 1.902 121.773 119.914 -0.072 0.000 2.295 175 V HA -0.135 3.985 4.120 -0.000 0.000 0.246 175 V C 2.473 178.573 176.094 0.009 0.000 1.049 175 V CA 1.249 63.536 62.300 -0.021 0.000 1.024 175 V CB -0.534 31.285 31.823 -0.008 0.000 0.648 175 V HN 0.431 nan 8.190 nan 0.000 0.447 176 I N 0.631 121.203 120.570 0.004 0.000 2.252 176 I HA -0.172 3.997 4.170 -0.000 0.000 0.245 176 I C 2.727 178.834 176.117 -0.016 0.000 1.102 176 I CA 1.808 63.119 61.300 0.019 0.000 1.385 176 I CB -1.722 36.319 38.000 0.068 0.000 1.064 176 I HN 0.306 nan 8.210 nan 0.000 0.414 177 A N 1.104 123.910 122.820 -0.023 0.000 1.940 177 A HA -0.127 4.193 4.320 -0.000 0.000 0.219 177 A C 2.487 180.059 177.584 -0.020 0.000 1.176 177 A CA 1.961 53.982 52.037 -0.027 0.000 0.631 177 A CB -1.292 17.682 19.000 -0.044 0.000 0.814 177 A HN 0.440 nan 8.150 nan 0.000 0.446 178 G N -1.258 107.535 108.800 -0.012 0.000 2.448 178 G HA2 0.145 4.105 3.960 -0.000 0.000 0.218 178 G HA3 0.145 4.105 3.960 -0.000 0.000 0.218 178 G C 1.517 176.431 174.900 0.023 0.000 1.135 178 G CA 1.192 46.293 45.100 0.001 0.000 0.784 178 G HN 0.781 nan 8.290 nan 0.000 0.543 179 A N -0.482 122.365 122.820 0.045 0.000 1.997 179 A HA 0.273 4.593 4.320 -0.000 0.000 0.212 179 A C 1.052 178.680 177.584 0.074 0.000 1.178 179 A CA 0.820 52.921 52.037 0.107 0.000 0.698 179 A CB 0.191 19.335 19.000 0.240 0.000 0.842 179 A HN 0.302 nan 8.150 nan 0.000 0.458 180 N N -0.741 117.935 118.700 -0.040 0.000 2.976 180 N HA 0.025 4.765 4.740 -0.000 0.000 0.220 180 N C 0.516 175.959 175.510 -0.112 0.000 1.428 180 N CA 0.660 53.633 53.050 -0.128 0.000 0.748 180 N CB 0.396 38.634 38.487 -0.416 0.000 1.484 180 N HN 0.099 nan 8.380 nan 0.000 0.578 181 S N 0.063 115.730 115.700 -0.054 0.000 2.400 181 S HA -0.192 4.278 4.470 -0.000 0.000 0.232 181 S C 1.799 176.376 174.600 -0.038 0.000 1.025 181 S CA 1.663 59.841 58.200 -0.037 0.000 0.993 181 S CB -0.356 62.831 63.200 -0.022 0.000 0.808 181 S HN 0.515 nan 8.310 nan 0.000 0.478 182 S N 1.727 117.398 115.700 -0.048 0.000 2.428 182 S HA 0.088 4.558 4.470 -0.000 0.000 0.230 182 S C 1.758 176.324 174.600 -0.057 0.000 1.014 182 S CA 0.654 58.830 58.200 -0.042 0.000 0.957 182 S CB -0.657 62.522 63.200 -0.035 0.000 0.784 182 S HN 0.387 nan 8.310 nan 0.000 0.499 183 L N 2.715 123.877 121.223 -0.103 0.000 2.027 183 L HA 0.014 4.354 4.340 -0.000 0.000 0.206 183 L C 2.071 178.907 176.870 -0.057 0.000 1.074 183 L CA 2.354 57.121 54.840 -0.123 0.000 0.745 183 L CB -1.149 40.752 42.059 -0.262 0.000 0.898 183 L HN 0.325 nan 8.230 nan 0.000 0.433 184 D N -1.491 118.899 120.400 -0.017 0.000 2.104 184 D HA -0.206 4.434 4.640 -0.000 0.000 0.194 184 D C 1.894 178.251 176.300 0.094 0.000 0.994 184 D CA 1.906 55.968 54.000 0.102 0.000 0.830 184 D CB -0.075 40.777 40.800 0.087 0.000 0.959 184 D HN 0.378 nan 8.370 nan 0.000 0.452 185 T N -0.284 114.293 114.554 0.037 0.000 2.788 185 T HA -0.115 4.234 4.350 -0.000 0.000 0.268 185 T C 1.866 176.577 174.700 0.018 0.000 1.044 185 T CA 1.221 63.342 62.100 0.034 0.000 1.139 185 T CB -0.172 68.703 68.868 0.011 0.000 0.867 185 T HN 0.176 nan 8.240 nan 0.000 0.454 186 K N 0.459 120.853 120.400 -0.009 0.000 2.032 186 K HA -0.014 4.306 4.320 -0.000 0.000 0.209 186 K C 2.146 178.717 176.600 -0.048 0.000 1.048 186 K CA 1.264 57.533 56.287 -0.030 0.000 0.927 186 K CB -0.280 32.194 32.500 -0.044 0.000 0.712 186 K HN 0.322 nan 8.250 nan 0.000 0.441 187 I N 1.055 121.583 120.570 -0.071 0.000 2.202 187 I HA -0.289 3.880 4.170 -0.000 0.000 0.242 187 I C 2.129 178.175 176.117 -0.119 0.000 1.091 187 I CA 1.311 62.506 61.300 -0.176 0.000 1.368 187 I CB -0.179 37.594 38.000 -0.378 0.000 1.058 187 I HN 0.101 nan 8.210 nan 0.000 0.410 188 K N 0.631 121.049 120.400 0.031 0.000 2.063 188 K HA -0.178 4.142 4.320 -0.000 0.000 0.208 188 K C 1.913 178.557 176.600 0.074 0.000 1.048 188 K CA 1.525 57.902 56.287 0.150 0.000 0.928 188 K CB -0.351 32.311 32.500 0.269 0.000 0.713 188 K HN 0.289 nan 8.250 nan 0.000 0.442 189 N N 0.999 119.721 118.700 0.037 0.000 2.120 189 N HA -0.145 4.595 4.740 -0.000 0.000 0.188 189 N C 1.713 177.214 175.510 -0.016 0.000 1.024 189 N CA 1.436 54.494 53.050 0.014 0.000 0.852 189 N CB -0.371 38.118 38.487 0.003 0.000 1.003 189 N HN 0.207 nan 8.380 nan 0.000 0.424 190 A N 0.922 123.717 122.820 -0.041 0.000 1.930 190 A HA -0.020 4.300 4.320 -0.000 0.000 0.217 190 A C 2.323 179.862 177.584 -0.074 0.000 1.175 190 A CA 0.754 52.753 52.037 -0.063 0.000 0.627 190 A CB -0.566 18.385 19.000 -0.081 0.000 0.815 190 A HN 0.206 nan 8.150 nan 0.000 0.443 191 I N -0.823 119.700 120.570 -0.077 0.000 2.179 191 I HA -0.273 3.897 4.170 -0.000 0.000 0.242 191 I C 2.750 178.833 176.117 -0.057 0.000 1.088 191 I CA 1.768 63.019 61.300 -0.082 0.000 1.357 191 I CB -0.277 37.670 38.000 -0.088 0.000 1.051 191 I HN 0.360 nan 8.210 nan 0.000 0.409 192 Q N 1.605 121.398 119.800 -0.012 0.000 2.124 192 Q HA -0.240 4.100 4.340 -0.000 0.000 0.202 192 Q C 2.032 178.016 176.000 -0.026 0.000 0.977 192 Q CA 1.779 57.588 55.803 0.011 0.000 0.850 192 Q CB -0.283 28.482 28.738 0.045 0.000 0.901 192 Q HN 0.334 nan 8.270 nan 0.000 0.429 193 K N -0.748 119.629 120.400 -0.038 0.000 2.020 193 K HA -0.193 4.127 4.320 -0.000 0.000 0.212 193 K C 1.869 178.422 176.600 -0.079 0.000 1.050 193 K CA 1.612 57.867 56.287 -0.053 0.000 0.929 193 K CB -0.395 32.074 32.500 -0.053 0.000 0.714 193 K HN 0.246 nan 8.250 nan 0.000 0.443 194 A N 0.851 123.613 122.820 -0.097 0.000 1.873 194 A HA -0.065 4.254 4.320 -0.000 0.000 0.215 194 A C 2.354 179.842 177.584 -0.159 0.000 1.186 194 A CA 1.855 53.816 52.037 -0.126 0.000 0.616 194 A CB -0.929 17.992 19.000 -0.132 0.000 0.823 194 A HN 0.516 nan 8.150 nan 0.000 0.442 195 A N 0.003 122.709 122.820 -0.189 0.000 1.883 195 A HA -0.204 4.115 4.320 -0.000 0.000 0.217 195 A C 2.086 179.565 177.584 -0.174 0.000 1.186 195 A CA 2.550 54.423 52.037 -0.273 0.000 0.624 195 A CB -0.467 18.293 19.000 -0.401 0.000 0.822 195 A HN 0.449 nan 8.150 nan 0.000 0.444 196 K N 0.382 120.721 120.400 -0.102 0.000 2.032 196 K HA -0.047 4.273 4.320 -0.000 0.000 0.209 196 K C 1.998 178.546 176.600 -0.088 0.000 1.048 196 K CA 2.002 58.248 56.287 -0.069 0.000 0.927 196 K CB -0.840 31.635 32.500 -0.043 0.000 0.712 196 K HN 0.333 nan 8.250 nan 0.000 0.441 197 A N 0.503 123.263 122.820 -0.100 0.000 1.933 197 A HA -0.094 4.226 4.320 -0.000 0.000 0.218 197 A C 2.346 179.851 177.584 -0.132 0.000 1.175 197 A CA 1.783 53.755 52.037 -0.108 0.000 0.628 197 A CB -0.661 18.272 19.000 -0.111 0.000 0.814 197 A HN 0.373 nan 8.150 nan 0.000 0.444 198 I N -0.656 119.822 120.570 -0.153 0.000 2.252 198 I HA -0.248 3.921 4.170 -0.000 0.000 0.245 198 I C 2.588 178.607 176.117 -0.162 0.000 1.102 198 I CA 1.088 62.282 61.300 -0.177 0.000 1.385 198 I CB -0.331 37.563 38.000 -0.178 0.000 1.064 198 I HN 0.312 nan 8.210 nan 0.000 0.414 199 Q N 0.088 119.806 119.800 -0.136 0.000 2.226 199 Q HA -0.244 4.096 4.340 -0.000 0.000 0.204 199 Q C 1.272 177.217 176.000 -0.092 0.000 0.975 199 Q CA 1.378 57.119 55.803 -0.105 0.000 0.866 199 Q CB -0.439 28.256 28.738 -0.071 0.000 0.915 199 Q HN 0.460 nan 8.270 nan 0.000 0.440 200 D N -0.154 120.190 120.400 -0.094 0.000 2.336 200 D HA 0.080 4.720 4.640 -0.000 0.000 0.229 200 D C -0.044 176.195 176.300 -0.101 0.000 1.061 200 D CA -0.047 53.901 54.000 -0.087 0.000 0.875 200 D CB 0.123 40.878 40.800 -0.075 0.000 0.904 200 D HN 0.125 nan 8.370 nan 0.000 0.525 201 I N 1.690 122.191 120.570 -0.114 0.000 2.556 201 I HA 0.142 4.311 4.170 -0.000 0.000 0.284 201 I C -1.946 174.088 176.117 -0.138 0.000 1.114 201 I CA -1.914 59.323 61.300 -0.105 0.000 1.418 201 I CB 0.896 38.837 38.000 -0.098 0.000 1.394 201 I HN -0.150 nan 8.210 nan 0.000 0.552 202 P HA -0.011 nan 4.420 nan 0.000 0.268 202 P C -0.832 176.281 177.300 -0.312 0.000 1.204 202 P CA -0.274 62.577 63.100 -0.414 0.000 0.768 202 P CB 0.455 31.612 31.700 -0.906 0.000 0.842 203 Q N 5.674 125.364 119.800 -0.184 0.000 2.304 203 Q HA 0.261 4.601 4.340 -0.000 0.000 0.260 203 Q C -2.249 173.686 176.000 -0.109 0.000 0.965 203 Q CA -1.620 54.130 55.803 -0.088 0.000 0.898 203 Q CB -0.041 28.694 28.738 -0.005 0.000 1.196 203 Q HN 0.302 nan 8.270 nan 0.000 0.402 204 P HA 0.065 nan 4.420 nan 0.000 0.287 204 P C -0.188 177.058 177.300 -0.090 0.000 1.270 204 P CA -0.531 62.366 63.100 -0.337 0.000 0.844 204 P CB 0.652 31.726 31.700 -1.044 0.000 1.068 205 F N 3.439 123.282 119.950 -0.178 0.000 2.120 205 F HA -0.186 4.340 4.527 -0.000 0.000 0.300 205 F C 2.438 178.155 175.800 -0.137 0.000 1.095 205 F CA 1.728 59.665 58.000 -0.106 0.000 1.249 205 F CB -0.574 38.367 39.000 -0.099 0.000 0.995 205 F HN 0.335 nan 8.300 nan 0.000 0.480 206 R N 0.335 120.563 120.500 -0.453 0.000 2.139 206 R HA -0.207 4.133 4.340 -0.000 0.000 0.243 206 R C 1.207 177.178 176.300 -0.547 0.000 1.145 206 R CA 1.975 57.719 56.100 -0.594 0.000 0.976 206 R CB -0.468 29.561 30.300 -0.452 0.000 0.866 206 R HN 0.274 nan 8.270 nan 0.000 0.449 207 N N -0.423 117.969 118.700 -0.513 0.000 2.280 207 N HA 0.001 4.741 4.740 -0.000 0.000 0.192 207 N C -0.444 174.558 175.510 -0.847 0.000 1.109 207 N CA 0.538 53.222 53.050 -0.611 0.000 0.855 207 N CB 0.594 38.691 38.487 -0.649 0.000 0.974 207 N HN 0.428 nan 8.380 nan 0.000 0.482 208 H N -1.109 117.796 119.070 -0.275 0.000 2.750 208 H HA 0.356 4.912 4.556 -0.000 0.000 0.239 208 H C 1.243 176.477 175.328 -0.158 0.000 1.210 208 H CA -0.221 55.719 56.048 -0.180 0.000 0.936 208 H CB 0.401 30.113 29.762 -0.085 0.000 2.074 208 H HN -0.010 nan 8.280 nan 0.000 0.622 209 I N 1.799 122.177 120.570 -0.319 0.000 2.163 209 I HA -0.137 4.033 4.170 -0.000 0.000 0.243 209 I C -0.511 175.554 176.117 -0.087 0.000 1.085 209 I CA 1.075 62.217 61.300 -0.263 0.000 1.347 209 I CB -0.656 37.047 38.000 -0.495 0.000 1.044 209 I HN 0.232 nan 8.210 nan 0.000 0.408 210 P HA 0.013 nan 4.420 nan 0.000 0.249 210 P C 0.378 177.732 177.300 0.090 0.000 1.229 210 P CA 0.375 63.394 63.100 -0.135 0.000 0.788 210 P CB -0.354 31.124 31.700 -0.369 0.000 1.072 211 S N 0.086 115.830 115.700 0.073 0.000 2.573 211 S HA 0.069 4.538 4.470 -0.000 0.000 0.277 211 S C 1.362 175.999 174.600 0.061 0.000 1.346 211 S CA -0.303 57.939 58.200 0.069 0.000 1.034 211 S CB 0.310 63.555 63.200 0.074 0.000 0.879 211 S HN -0.067 nan 8.310 nan 0.000 0.528 212 N N 2.041 120.759 118.700 0.030 0.000 2.149 212 N HA -0.133 4.607 4.740 -0.000 0.000 0.188 212 N C 1.458 176.947 175.510 -0.035 0.000 1.019 212 N CA 1.746 54.797 53.050 0.000 0.000 0.857 212 N CB -0.601 37.884 38.487 -0.004 0.000 0.997 212 N HN 0.776 nan 8.380 nan 0.000 0.426 213 E N -0.196 119.984 120.200 -0.033 0.000 2.110 213 E HA -0.065 4.285 4.350 -0.000 0.000 0.193 213 E C 1.913 178.462 176.600 -0.085 0.000 0.988 213 E CA 1.155 57.518 56.400 -0.061 0.000 0.804 213 E CB -0.360 29.301 29.700 -0.065 0.000 0.745 213 E HN 0.299 nan 8.360 nan 0.000 0.458 214 T N 0.387 114.912 114.554 -0.049 0.000 2.595 214 T HA -0.173 4.177 4.350 -0.000 0.000 0.264 214 T C 2.034 176.595 174.700 -0.232 0.000 1.058 214 T CA 1.620 63.667 62.100 -0.088 0.000 1.166 214 T CB -0.536 68.396 68.868 0.108 0.000 0.863 214 T HN -0.018 nan 8.240 nan 0.000 0.415 215 V N 1.867 121.585 119.914 -0.327 0.000 2.469 215 V HA -0.208 3.912 4.120 -0.000 0.000 0.251 215 V C 2.853 178.802 176.094 -0.241 0.000 1.064 215 V CA 1.652 63.697 62.300 -0.424 0.000 1.066 215 V CB -1.295 30.302 31.823 -0.377 0.000 0.667 215 V HN 0.570 nan 8.190 nan 0.000 0.461 216 A N -0.141 122.577 122.820 -0.170 0.000 1.933 216 A HA 0.125 4.444 4.320 -0.000 0.000 0.218 216 A C 1.693 179.193 177.584 -0.140 0.000 1.175 216 A CA 1.274 53.233 52.037 -0.130 0.000 0.628 216 A CB -0.529 18.411 19.000 -0.100 0.000 0.814 216 A HN 0.617 nan 8.150 nan 0.000 0.444 220 A N 0.722 123.483 122.820 -0.098 0.000 1.933 220 A HA -0.154 4.166 4.320 -0.000 0.000 0.218 220 A C 2.276 179.804 177.584 -0.093 0.000 1.175 220 A CA 1.876 53.858 52.037 -0.091 0.000 0.628 220 A CB -0.925 18.016 19.000 -0.098 0.000 0.814 220 A HN 0.422 nan 8.150 nan 0.000 0.444 221 C N -1.155 118.082 119.300 -0.105 0.000 2.440 221 C HA 0.109 4.569 4.460 -0.000 0.000 0.278 221 C C 3.308 178.249 174.990 -0.082 0.000 1.295 221 C CA 0.627 59.583 59.018 -0.102 0.000 1.738 221 C CB -1.301 26.369 27.740 -0.118 0.000 1.987 221 C HN 0.709 nan 8.230 nan 0.000 0.492 222 A N 0.714 123.489 122.820 -0.075 0.000 1.902 222 A HA -0.208 4.112 4.320 -0.000 0.000 0.217 222 A C 2.004 179.557 177.584 -0.052 0.000 1.181 222 A CA 1.708 53.710 52.037 -0.057 0.000 0.623 222 A CB -0.554 18.415 19.000 -0.051 0.000 0.818 222 A HN 0.713 nan 8.150 nan 0.000 0.443 223 E N -0.851 119.315 120.200 -0.057 0.000 2.106 223 E HA -0.158 4.192 4.350 -0.000 0.000 0.192 223 E C 1.922 178.487 176.600 -0.059 0.000 0.984 223 E CA 1.077 57.446 56.400 -0.053 0.000 0.806 223 E CB -0.215 29.453 29.700 -0.054 0.000 0.750 223 E HN 0.506 nan 8.360 nan 0.000 0.458 224 L N 1.614 122.795 121.223 -0.070 0.000 2.027 224 L HA -0.166 4.173 4.340 -0.000 0.000 0.206 224 L C 2.290 179.119 176.870 -0.069 0.000 1.074 224 L CA 1.793 56.585 54.840 -0.080 0.000 0.745 224 L CB -0.333 41.671 42.059 -0.092 0.000 0.898 224 L HN 0.052 nan 8.230 nan 0.000 0.433 225 E N -0.929 119.236 120.200 -0.058 0.000 2.070 225 E HA -0.288 4.062 4.350 -0.000 0.000 0.197 225 E C 2.224 178.804 176.600 -0.034 0.000 1.004 225 E CA 1.777 58.152 56.400 -0.042 0.000 0.805 225 E CB -0.189 29.490 29.700 -0.035 0.000 0.744 225 E HN 0.565 nan 8.360 nan 0.000 0.451 226 S N 0.259 115.939 115.700 -0.034 0.000 2.368 226 S HA -0.114 4.356 4.470 -0.000 0.000 0.224 226 S C 2.125 176.708 174.600 -0.028 0.000 1.029 226 S CA 0.974 59.159 58.200 -0.026 0.000 0.988 226 S CB -0.289 62.897 63.200 -0.024 0.000 0.838 226 S HN 0.418 nan 8.310 nan 0.000 0.462 227 I N 0.770 121.315 120.570 -0.043 0.000 2.454 227 I HA -0.119 4.050 4.170 -0.000 0.000 0.254 227 I C 1.788 177.875 176.117 -0.050 0.000 1.156 227 I CA 0.917 62.188 61.300 -0.048 0.000 1.433 227 I CB -0.003 37.957 38.000 -0.067 0.000 1.082 227 I HN 0.354 nan 8.210 nan 0.000 0.432 228 L N 0.190 121.381 121.223 -0.054 0.000 2.034 228 L HA -0.176 4.164 4.340 -0.000 0.000 0.203 228 L C 2.475 179.337 176.870 -0.013 0.000 1.074 228 L CA 1.349 56.162 54.840 -0.045 0.000 0.748 228 L CB -0.506 41.524 42.059 -0.048 0.000 0.905 228 L HN 0.059 nan 8.230 nan 0.000 0.439 229 K N -0.312 120.083 120.400 -0.009 0.000 2.228 229 K HA -0.040 4.280 4.320 -0.000 0.000 0.202 229 K C 1.479 178.084 176.600 0.009 0.000 1.051 229 K CA 0.971 57.260 56.287 0.004 0.000 0.960 229 K CB 0.210 32.712 32.500 0.004 0.000 0.743 229 K HN 0.341 nan 8.250 nan 0.000 0.458 230 N N -0.230 118.474 118.700 0.006 0.000 2.433 230 N HA -0.037 4.703 4.740 -0.000 0.000 0.213 230 N C 0.992 176.518 175.510 0.026 0.000 1.032 230 N CA 0.769 53.827 53.050 0.013 0.000 1.047 230 N CB 0.027 38.519 38.487 0.007 0.000 1.293 230 N HN -0.035 nan 8.380 nan 0.000 0.524 231 D N 1.261 121.673 120.400 0.020 0.000 2.095 231 D HA -0.155 4.485 4.640 -0.000 0.000 0.192 231 D C 1.914 178.252 176.300 0.063 0.000 0.990 231 D CA 0.772 54.793 54.000 0.035 0.000 0.836 231 D CB -0.811 39.991 40.800 0.004 0.000 0.979 231 D HN 0.052 nan 8.370 nan 0.000 0.447 232 L N 0.918 122.159 121.223 0.030 0.000 1.990 232 L HA -0.212 4.128 4.340 -0.000 0.000 0.213 232 L C 2.067 178.998 176.870 0.102 0.000 1.072 232 L CA 2.006 56.883 54.840 0.061 0.000 0.755 232 L CB -0.599 41.470 42.059 0.016 0.000 0.889 232 L HN -0.039 nan 8.230 nan 0.000 0.432 233 K N -0.862 119.575 120.400 0.062 0.000 2.063 233 K HA -0.187 4.133 4.320 -0.000 0.000 0.208 233 K C 2.207 178.842 176.600 0.058 0.000 1.048 233 K CA 1.723 58.042 56.287 0.052 0.000 0.928 233 K CB -0.237 32.280 32.500 0.028 0.000 0.713 233 K HN 0.658 nan 8.250 nan 0.000 0.442 234 S N -0.554 115.185 115.700 0.064 0.000 2.383 234 S HA -0.202 4.268 4.470 -0.000 0.000 0.227 234 S C 2.029 176.667 174.600 0.064 0.000 1.026 234 S CA 0.876 59.106 58.200 0.051 0.000 0.981 234 S CB -0.718 62.510 63.200 0.046 0.000 0.818 234 S HN 0.486 nan 8.310 nan 0.000 0.472 235 Y N 2.166 122.468 120.300 0.003 0.000 2.181 235 Y HA 0.007 4.557 4.550 0.001 0.000 0.288 235 Y C 2.022 177.924 175.900 0.004 0.000 1.146 235 Y CA 1.533 59.636 58.100 0.006 0.000 1.164 235 Y CB -0.349 38.119 38.460 0.014 0.000 0.982 235 Y HN 0.235 nan 8.280 nan 0.000 0.515 236 I N -0.235 120.419 120.570 0.140 0.000 2.226 236 I HA -0.306 3.864 4.170 -0.000 0.000 0.245 236 I C 2.586 178.680 176.117 -0.037 0.000 1.100 236 I CA 1.245 62.576 61.300 0.052 0.000 1.374 236 I CB -0.693 37.352 38.000 0.074 0.000 1.057 236 I HN 0.283 nan 8.210 nan 0.000 0.413 237 A N 0.288 123.091 122.820 -0.028 0.000 2.067 237 A HA -0.148 4.172 4.320 -0.000 0.000 0.219 237 A C 1.303 178.845 177.584 -0.070 0.000 1.158 237 A CA 0.791 52.803 52.037 -0.042 0.000 0.661 237 A CB -0.666 18.321 19.000 -0.022 0.000 0.801 237 A HN 0.430 nan 8.150 nan 0.000 0.452 238 N N 1.241 119.874 118.700 -0.111 0.000 2.406 238 N HA 0.005 4.745 4.740 -0.000 0.000 0.265 238 N C 0.349 175.773 175.510 -0.144 0.000 1.203 238 N CA -0.039 52.930 53.050 -0.135 0.000 0.945 238 N CB 0.004 38.377 38.487 -0.189 0.000 1.165 238 N HN 0.204 nan 8.380 nan 0.000 0.485 239 N N 1.352 119.994 118.700 -0.097 0.000 2.192 239 N HA -0.208 4.532 4.740 -0.000 0.000 0.188 239 N C 1.480 176.935 175.510 -0.092 0.000 1.013 239 N CA 1.459 54.460 53.050 -0.082 0.000 0.863 239 N CB -0.302 38.151 38.487 -0.057 0.000 0.990 239 N HN 0.714 nan 8.380 nan 0.000 0.430 240 S N 0.089 115.728 115.700 -0.102 0.000 2.474 240 S HA 0.013 4.483 4.470 -0.000 0.000 0.235 240 S C 1.284 175.811 174.600 -0.122 0.000 0.997 240 S CA 0.554 58.698 58.200 -0.094 0.000 0.949 240 S CB -0.105 63.047 63.200 -0.080 0.000 0.766 240 S HN 0.187 nan 8.310 nan 0.000 0.517 241 N N 2.221 120.801 118.700 -0.200 0.000 2.412 241 N HA 0.101 4.840 4.740 -0.000 0.000 0.184 241 N C -0.192 175.246 175.510 -0.119 0.000 1.101 241 N CA 0.343 53.248 53.050 -0.242 0.000 0.881 241 N CB -0.420 37.695 38.487 -0.619 0.000 0.969 241 N HN 0.392 nan 8.380 nan 0.000 0.459 242 N N 0.411 119.056 118.700 -0.091 0.000 2.741 242 N HA -0.182 4.557 4.740 -0.000 0.000 0.250 242 N C 0.236 175.728 175.510 -0.029 0.000 1.115 242 N CA 0.747 53.769 53.050 -0.048 0.000 0.724 242 N CB -1.634 36.835 38.487 -0.029 0.000 1.090 242 N HN 0.560 nan 8.380 nan 0.000 0.558 243 I N -3.181 117.368 120.570 -0.035 0.000 3.833 243 I HA 0.277 4.447 4.170 -0.000 0.000 0.328 243 I C 0.765 176.870 176.117 -0.019 0.000 1.554 243 I CA -0.430 60.866 61.300 -0.006 0.000 1.116 243 I CB 0.295 38.322 38.000 0.046 0.000 1.182 243 I HN -0.061 nan 8.210 nan 0.000 0.459 244 N N 0.484 119.161 118.700 -0.039 0.000 2.200 244 N HA 0.046 4.786 4.740 -0.000 0.000 0.224 244 N C 0.444 175.922 175.510 -0.054 0.000 1.179 244 N CA 0.207 53.228 53.050 -0.049 0.000 0.877 244 N CB -0.341 38.113 38.487 -0.055 0.000 1.072 244 N HN 0.387 nan 8.380 nan 0.000 0.519 245 T N -2.639 111.890 114.554 -0.042 0.000 2.860 245 T HA 0.154 4.504 4.350 -0.000 0.000 0.299 245 T C 0.544 175.219 174.700 -0.041 0.000 1.045 245 T CA -0.252 61.826 62.100 -0.037 0.000 1.071 245 T CB 0.983 69.837 68.868 -0.023 0.000 0.985 245 T HN -0.161 nan 8.240 nan 0.000 0.537 246 D N 1.197 121.579 120.400 -0.030 0.000 2.182 246 D HA -0.047 4.593 4.640 -0.000 0.000 0.201 246 D C 2.310 178.615 176.300 0.007 0.000 0.986 246 D CA 1.602 55.597 54.000 -0.008 0.000 0.847 246 D CB -0.741 40.089 40.800 0.048 0.000 0.942 246 D HN 0.760 nan 8.370 nan 0.000 0.467 247 A N 0.306 123.128 122.820 0.002 0.000 1.902 247 A HA -0.148 4.172 4.320 -0.000 0.000 0.217 247 A C 2.468 180.052 177.584 -0.001 0.000 1.181 247 A CA 1.299 53.338 52.037 0.004 0.000 0.623 247 A CB -0.614 18.386 19.000 -0.000 0.000 0.818 247 A HN 0.171 nan 8.150 nan 0.000 0.443 248 V N -0.474 119.435 119.914 -0.009 0.000 2.407 248 V HA -0.121 3.999 4.120 -0.000 0.000 0.245 248 V C 2.352 178.437 176.094 -0.014 0.000 1.041 248 V CA 1.712 64.006 62.300 -0.010 0.000 1.040 248 V CB -0.488 31.328 31.823 -0.011 0.000 0.671 248 V HN 0.539 nan 8.190 nan 0.000 0.455 249 L N -0.403 120.803 121.223 -0.028 0.000 2.416 249 L HA 0.089 4.428 4.340 -0.000 0.000 0.216 249 L C 2.237 179.089 176.870 -0.030 0.000 1.098 249 L CA 0.240 55.053 54.840 -0.045 0.000 0.840 249 L CB -0.503 41.504 42.059 -0.087 0.000 0.981 249 L HN 0.301 nan 8.230 nan 0.000 0.462 250 N N 0.875 119.579 118.700 0.007 0.000 2.061 250 N HA -0.156 4.584 4.740 -0.000 0.000 0.193 250 N C -0.885 174.660 175.510 0.057 0.000 1.030 250 N CA 1.635 54.730 53.050 0.075 0.000 0.856 250 N CB -1.362 37.184 38.487 0.100 0.000 1.023 250 N HN 0.232 nan 8.380 nan 0.000 0.424 251 P HA -0.016 nan 4.420 nan 0.000 0.221 251 P C 1.604 178.928 177.300 0.039 0.000 1.150 251 P CA 0.665 63.786 63.100 0.034 0.000 0.800 251 P CB 0.091 31.801 31.700 0.018 0.000 0.787 252 V N 0.081 120.009 119.914 0.024 0.000 2.307 252 V HA -0.187 3.933 4.120 -0.000 0.000 0.245 252 V C 2.702 178.839 176.094 0.071 0.000 1.045 252 V CA 1.694 64.009 62.300 0.025 0.000 1.024 252 V CB -1.196 30.619 31.823 -0.013 0.000 0.651 252 V HN -0.051 nan 8.190 nan 0.000 0.449 253 V N -0.187 119.761 119.914 0.057 0.000 2.343 253 V HA -0.274 3.846 4.120 -0.000 0.000 0.247 253 V C 2.567 178.798 176.094 0.228 0.000 1.051 253 V CA 2.637 65.012 62.300 0.124 0.000 1.036 253 V CB -1.062 30.781 31.823 0.034 0.000 0.654 253 V HN 0.598 nan 8.190 nan 0.000 0.451 254 T N -0.654 113.992 114.554 0.153 0.000 2.708 254 T HA -0.268 4.081 4.350 -0.000 0.000 0.266 254 T C 1.964 176.742 174.700 0.130 0.000 1.037 254 T CA 1.946 64.129 62.100 0.139 0.000 1.146 254 T CB -0.246 68.674 68.868 0.087 0.000 0.865 254 T HN 0.453 nan 8.240 nan 0.000 0.435 255 Q N 0.242 120.108 119.800 0.110 0.000 2.084 255 Q HA -0.133 4.207 4.340 -0.000 0.000 0.202 255 Q C 1.932 177.993 176.000 0.102 0.000 0.978 255 Q CA 1.628 57.481 55.803 0.084 0.000 0.844 255 Q CB -0.690 28.085 28.738 0.062 0.000 0.898 255 Q HN 0.715 nan 8.270 nan 0.000 0.426 256 Y N -0.512 119.794 120.300 0.010 0.000 2.128 256 Y HA -0.207 4.343 4.550 0.000 0.000 0.284 256 Y C 1.857 177.702 175.900 -0.092 0.000 1.154 256 Y CA 1.934 60.016 58.100 -0.029 0.000 1.149 256 Y CB -0.287 38.191 38.460 0.030 0.000 0.976 256 Y HN 0.021 nan 8.280 nan 0.000 0.505 257 V N 0.475 120.460 119.914 0.118 0.000 2.307 257 V HA -0.253 3.866 4.120 -0.000 0.000 0.245 257 V C 1.835 177.874 176.094 -0.092 0.000 1.045 257 V CA 2.277 64.572 62.300 -0.009 0.000 1.024 257 V CB -0.567 31.437 31.823 0.301 0.000 0.651 257 V HN 0.388 nan 8.190 nan 0.000 0.449 258 D N -0.089 120.309 120.400 -0.004 0.000 2.234 258 D HA 0.049 4.689 4.640 -0.000 0.000 0.205 258 D C 1.936 178.206 176.300 -0.050 0.000 0.962 258 D CA 1.403 55.401 54.000 -0.003 0.000 0.855 258 D CB 0.099 40.920 40.800 0.035 0.000 0.951 258 D HN 0.455 nan 8.370 nan 0.000 0.500 259 A N -0.270 122.501 122.820 -0.082 0.000 2.085 259 A HA 0.173 4.493 4.320 -0.000 0.000 0.208 259 A C 2.081 179.567 177.584 -0.164 0.000 1.191 259 A CA 0.238 52.222 52.037 -0.089 0.000 0.799 259 A CB 0.349 19.323 19.000 -0.044 0.000 0.877 259 A HN 0.087 nan 8.150 nan 0.000 0.473 260 V N -1.220 118.515 119.914 -0.298 0.000 2.735 260 V HA -0.025 4.095 4.120 -0.000 0.000 0.234 260 V C 2.372 178.063 176.094 -0.672 0.000 1.121 260 V CA 1.248 63.286 62.300 -0.437 0.000 1.160 260 V CB -0.512 31.006 31.823 -0.508 0.000 0.908 260 V HN 0.210 nan 8.190 nan 0.000 0.495 261 V N 0.272 119.553 119.914 -1.054 0.000 2.244 261 V HA -0.184 3.936 4.120 -0.000 0.000 0.244 261 V C 2.442 178.022 176.094 -0.856 0.000 1.042 261 V CA 2.068 63.504 62.300 -1.441 0.000 1.006 261 V CB -0.438 30.330 31.823 -1.759 0.000 0.641 261 V HN 0.361 nan 8.190 nan 0.000 0.446 262 V N 0.442 120.071 119.914 -0.476 0.000 2.343 262 V HA -0.137 3.983 4.120 -0.000 0.000 0.247 262 V C 0.021 176.115 176.094 0.000 0.000 1.051 262 V CA 2.408 64.654 62.300 -0.091 0.000 1.036 262 V CB -1.885 29.981 31.823 0.073 0.000 0.654 262 V HN 0.509 nan 8.190 nan 0.000 0.451 263 P HA -0.093 nan 4.420 nan 0.000 0.217 263 P C 1.800 179.040 177.300 -0.100 0.000 1.150 263 P CA 1.528 64.588 63.100 -0.067 0.000 0.832 263 P CB -0.189 31.462 31.700 -0.080 0.000 0.787 264 T N -1.494 112.953 114.554 -0.178 0.000 2.746 264 T HA -0.169 4.181 4.350 -0.000 0.000 0.267 264 T C 1.413 176.073 174.700 -0.067 0.000 1.039 264 T CA 1.392 63.399 62.100 -0.155 0.000 1.142 264 T CB -0.954 67.810 68.868 -0.174 0.000 0.866 264 T HN 0.047 nan 8.240 nan 0.000 0.444 265 Y N 1.382 121.660 120.300 -0.037 0.000 2.314 265 Y HA 0.104 4.654 4.550 -0.001 0.000 0.293 265 Y C 2.373 178.188 175.900 -0.142 0.000 1.129 265 Y CA 0.016 58.124 58.100 0.014 0.000 1.201 265 Y CB -0.468 38.047 38.460 0.091 0.000 0.999 265 Y HN 0.142 nan 8.280 nan 0.000 0.541 266 K N 0.431 120.733 120.400 -0.162 0.000 2.026 266 K HA -0.187 4.133 4.320 -0.000 0.000 0.208 266 K C 2.319 178.722 176.600 -0.329 0.000 1.048 266 K CA 1.810 57.690 56.287 -0.680 0.000 0.929 266 K CB -0.140 32.128 32.500 -0.387 0.000 0.713 266 K HN 0.379 nan 8.250 nan 0.000 0.439 267 S N 0.978 116.591 115.700 -0.146 0.000 2.368 267 S HA -0.177 4.293 4.470 -0.000 0.000 0.225 267 S C 1.985 176.566 174.600 -0.031 0.000 1.030 267 S CA 1.084 59.236 58.200 -0.080 0.000 0.999 267 S CB -0.563 62.606 63.200 -0.053 0.000 0.844 267 S HN 0.329 nan 8.310 nan 0.000 0.459 268 L N 1.999 123.239 121.223 0.030 0.000 2.012 268 L HA -0.017 4.322 4.340 -0.000 0.000 0.210 268 L C 2.525 179.436 176.870 0.068 0.000 1.073 268 L CA 1.959 56.871 54.840 0.120 0.000 0.748 268 L CB -0.828 41.395 42.059 0.274 0.000 0.891 268 L HN 0.204 nan 8.230 nan 0.000 0.431 269 K N 0.189 120.584 120.400 -0.008 0.000 2.032 269 K HA -0.228 4.092 4.320 -0.000 0.000 0.209 269 K C 1.969 178.543 176.600 -0.044 0.000 1.048 269 K CA 2.200 58.464 56.287 -0.038 0.000 0.927 269 K CB -0.220 32.206 32.500 -0.122 0.000 0.712 269 K HN 0.575 nan 8.250 nan 0.000 0.441 270 E N 0.078 120.230 120.200 -0.079 0.000 2.110 270 E HA -0.147 4.202 4.350 -0.000 0.000 0.193 270 E C 1.999 178.594 176.600 -0.009 0.000 0.988 270 E CA 1.028 57.400 56.400 -0.047 0.000 0.804 270 E CB 0.102 29.765 29.700 -0.062 0.000 0.745 270 E HN 0.129 nan 8.360 nan 0.000 0.458 271 K N 0.551 120.953 120.400 0.004 0.000 2.167 271 K HA 0.004 4.324 4.320 -0.000 0.000 0.203 271 K C 1.627 178.258 176.600 0.051 0.000 1.052 271 K CA 0.611 56.913 56.287 0.026 0.000 0.956 271 K CB -0.246 32.269 32.500 0.025 0.000 0.735 271 K HN 0.019 nan 8.250 nan 0.000 0.451 272 N N 1.573 120.307 118.700 0.056 0.000 2.244 272 N HA -0.109 4.630 4.740 -0.000 0.000 0.183 272 N C 1.129 176.668 175.510 0.047 0.000 1.016 272 N CA 0.984 54.062 53.050 0.046 0.000 0.866 272 N CB -0.158 38.328 38.487 -0.001 0.000 0.980 272 N HN 0.147 nan 8.380 nan 0.000 0.430 273 D N 0.474 120.894 120.400 0.033 0.000 2.097 273 D HA -0.047 4.593 4.640 -0.000 0.000 0.195 273 D C 1.812 178.165 176.300 0.088 0.000 0.989 273 D CA 1.232 55.260 54.000 0.047 0.000 0.827 273 D CB -0.406 40.405 40.800 0.018 0.000 0.966 273 D HN 0.217 nan 8.370 nan 0.000 0.456 274 A N 0.712 123.566 122.820 0.056 0.000 1.908 274 A HA -0.156 4.163 4.320 -0.000 0.000 0.218 274 A C 2.152 179.767 177.584 0.051 0.000 1.181 274 A CA 1.123 53.187 52.037 0.045 0.000 0.627 274 A CB -0.761 18.255 19.000 0.026 0.000 0.818 274 A HN 0.253 nan 8.150 nan 0.000 0.445 275 L N -1.575 119.692 121.223 0.073 0.000 2.046 275 L HA -0.165 4.175 4.340 -0.000 0.000 0.208 275 L C 2.284 179.196 176.870 0.070 0.000 1.077 275 L CA 2.425 57.315 54.840 0.084 0.000 0.747 275 L CB -0.984 41.148 42.059 0.121 0.000 0.896 275 L HN 0.527 nan 8.230 nan 0.000 0.432 276 Y N 0.675 120.957 120.300 -0.031 0.000 2.128 276 Y HA -0.309 4.241 4.550 0.000 0.000 0.284 276 Y C 2.297 178.154 175.900 -0.072 0.000 1.154 276 Y CA 2.360 60.425 58.100 -0.060 0.000 1.149 276 Y CB -0.564 37.857 38.460 -0.066 0.000 0.976 276 Y HN 0.424 nan 8.280 nan 0.000 0.505 277 N N 0.003 118.677 118.700 -0.044 0.000 2.120 277 N HA -0.177 4.563 4.740 -0.000 0.000 0.188 277 N C 1.994 177.397 175.510 -0.179 0.000 1.024 277 N CA 1.378 54.348 53.050 -0.133 0.000 0.852 277 N CB -0.440 38.031 38.487 -0.026 0.000 1.003 277 N HN 0.474 nan 8.380 nan 0.000 0.424 278 A N 0.484 123.233 122.820 -0.119 0.000 1.933 278 A HA -0.085 4.235 4.320 -0.000 0.000 0.218 278 A C 2.330 179.801 177.584 -0.188 0.000 1.175 278 A CA 1.137 53.100 52.037 -0.123 0.000 0.628 278 A CB -0.744 18.218 19.000 -0.063 0.000 0.814 278 A HN 0.121 nan 8.150 nan 0.000 0.444 279 V N 0.529 120.318 119.914 -0.208 0.000 2.358 279 V HA -0.216 3.903 4.120 -0.000 0.000 0.246 279 V C 2.420 178.312 176.094 -0.336 0.000 1.047 279 V CA 1.582 63.734 62.300 -0.247 0.000 1.035 279 V CB -0.585 31.123 31.823 -0.193 0.000 0.658 279 V HN 0.508 nan 8.190 nan 0.000 0.452 280 I N -0.041 120.264 120.570 -0.443 0.000 2.226 280 I HA -0.173 3.997 4.170 -0.000 0.000 0.245 280 I C 2.466 178.394 176.117 -0.315 0.000 1.100 280 I CA 1.523 62.563 61.300 -0.433 0.000 1.374 280 I CB -1.085 36.610 38.000 -0.508 0.000 1.057 280 I HN 0.179 nan 8.210 nan 0.000 0.413 281 V N 0.826 120.580 119.914 -0.268 0.000 2.427 281 V HA -0.238 3.881 4.120 -0.000 0.000 0.248 281 V C 2.528 178.463 176.094 -0.265 0.000 1.051 281 V CA 1.245 63.412 62.300 -0.222 0.000 1.048 281 V CB -0.688 31.032 31.823 -0.172 0.000 0.666 281 V HN 0.321 nan 8.190 nan 0.000 0.456 282 L N 1.177 122.210 121.223 -0.317 0.000 2.046 282 L HA -0.098 4.242 4.340 -0.000 0.000 0.208 282 L C 2.430 179.004 176.870 -0.494 0.000 1.077 282 L CA 2.446 57.033 54.840 -0.421 0.000 0.747 282 L CB -0.986 40.766 42.059 -0.511 0.000 0.896 282 L HN 0.211 nan 8.230 nan 0.000 0.432 283 A N -0.967 121.559 122.820 -0.489 0.000 1.933 283 A HA -0.186 4.134 4.320 -0.000 0.000 0.218 283 A C 1.959 179.180 177.584 -0.605 0.000 1.175 283 A CA 1.843 53.445 52.037 -0.724 0.000 0.628 283 A CB -0.717 18.052 19.000 -0.385 0.000 0.814 283 A HN 0.546 nan 8.150 nan 0.000 0.444 284 D N -0.962 119.230 120.400 -0.346 0.000 2.234 284 D HA -0.012 4.628 4.640 -0.000 0.000 0.205 284 D C 0.340 176.540 176.300 -0.165 0.000 0.962 284 D CA 0.878 54.752 54.000 -0.210 0.000 0.855 284 D CB -0.009 40.694 40.800 -0.162 0.000 0.951 284 D HN 0.383 nan 8.370 nan 0.000 0.500 285 N N 0.300 118.884 118.700 -0.194 0.000 2.716 285 N HA 0.135 4.875 4.740 -0.000 0.000 0.245 285 N C -2.903 172.512 175.510 -0.158 0.000 1.495 285 N CA -1.383 51.588 53.050 -0.133 0.000 0.759 285 N CB 1.112 39.535 38.487 -0.107 0.000 1.261 285 N HN -0.177 nan 8.380 nan 0.000 0.515 286 P HA 0.233 nan 4.420 nan 0.000 0.271 286 P C -0.586 176.660 177.300 -0.089 0.000 1.216 286 P CA 0.210 63.210 63.100 -0.167 0.000 0.771 286 P CB 0.968 32.669 31.700 0.003 0.000 0.864 287 S N 1.321 116.951 115.700 -0.117 0.000 2.615 287 S HA 0.270 4.740 4.470 -0.000 0.000 0.268 287 S C 0.652 175.259 174.600 0.012 0.000 1.146 287 S CA -0.779 57.398 58.200 -0.038 0.000 0.818 287 S CB 0.440 63.611 63.200 -0.048 0.000 1.111 287 S HN 0.171 nan 8.310 nan 0.000 0.465 288 N N 1.521 120.227 118.700 0.011 0.000 2.104 288 N HA -0.080 4.660 4.740 -0.000 0.000 0.190 288 N C 1.751 177.262 175.510 0.002 0.000 1.024 288 N CA 1.820 54.875 53.050 0.008 0.000 0.853 288 N CB -0.725 37.738 38.487 -0.040 0.000 1.008 288 N HN 0.621 nan 8.380 nan 0.000 0.424 289 S N 0.064 115.748 115.700 -0.026 0.000 2.383 289 S HA 0.024 4.494 4.470 -0.000 0.000 0.227 289 S C 1.916 176.480 174.600 -0.060 0.000 1.026 289 S CA 1.092 59.269 58.200 -0.040 0.000 0.981 289 S CB -0.232 62.943 63.200 -0.043 0.000 0.818 289 S HN 0.417 nan 8.310 nan 0.000 0.472 290 A N 0.256 123.018 122.820 -0.096 0.000 1.933 290 A HA 0.043 4.363 4.320 -0.000 0.000 0.218 290 A C 1.839 179.294 177.584 -0.215 0.000 1.175 290 A CA 1.272 53.203 52.037 -0.176 0.000 0.628 290 A CB -0.933 17.915 19.000 -0.254 0.000 0.814 290 A HN 0.565 nan 8.150 nan 0.000 0.444 291 F N 0.340 120.163 119.950 -0.212 0.000 2.102 291 F HA -0.150 4.377 4.527 -0.000 0.000 0.298 291 F C 2.440 178.100 175.800 -0.232 0.000 1.105 291 F CA 2.014 59.864 58.000 -0.250 0.000 1.239 291 F CB -0.494 38.322 39.000 -0.307 0.000 0.991 291 F HN 0.319 nan 8.300 nan 0.000 0.474 292 E N -0.779 119.419 120.200 -0.002 0.000 2.085 292 E HA -0.209 4.141 4.350 -0.000 0.000 0.194 292 E C 2.118 178.688 176.600 -0.048 0.000 0.994 292 E CA 1.970 58.339 56.400 -0.052 0.000 0.801 292 E CB -0.415 29.261 29.700 -0.041 0.000 0.743 292 E HN 0.317 nan 8.360 nan 0.000 0.453 293 T N 0.668 115.190 114.554 -0.053 0.000 2.746 293 T HA -0.163 4.187 4.350 -0.000 0.000 0.267 293 T C 1.971 176.648 174.700 -0.039 0.000 1.039 293 T CA 1.255 63.327 62.100 -0.047 0.000 1.142 293 T CB -0.229 68.599 68.868 -0.066 0.000 0.866 293 T HN 0.271 nan 8.240 nan 0.000 0.444 294 A N 0.433 123.210 122.820 -0.072 0.000 1.930 294 A HA -0.089 4.231 4.320 -0.000 0.000 0.217 294 A C 2.686 180.288 177.584 0.028 0.000 1.175 294 A CA 1.303 53.314 52.037 -0.044 0.000 0.627 294 A CB -1.235 17.697 19.000 -0.115 0.000 0.815 294 A HN 0.627 nan 8.150 nan 0.000 0.443 295 C N -0.272 118.995 119.300 -0.055 0.000 2.429 295 C HA -0.094 4.366 4.460 -0.000 0.000 0.277 295 C C 2.358 177.452 174.990 0.174 0.000 1.262 295 C CA 1.000 59.983 59.018 -0.058 0.000 1.733 295 C CB -1.140 26.360 27.740 -0.399 0.000 2.010 295 C HN 0.605 nan 8.230 nan 0.000 0.483 296 D N 1.149 121.603 120.400 0.091 0.000 2.133 296 D HA -0.123 4.517 4.640 -0.000 0.000 0.195 296 D C 2.282 178.652 176.300 0.117 0.000 0.997 296 D CA 1.864 55.925 54.000 0.102 0.000 0.840 296 D CB -0.584 40.245 40.800 0.048 0.000 0.947 296 D HN 0.516 nan 8.370 nan 0.000 0.452 297 A N -0.037 122.848 122.820 0.109 0.000 1.972 297 A HA -0.154 4.166 4.320 -0.000 0.000 0.219 297 A C 2.139 179.823 177.584 0.166 0.000 1.169 297 A CA 1.283 53.384 52.037 0.106 0.000 0.635 297 A CB -1.104 17.943 19.000 0.077 0.000 0.810 297 A HN 0.399 nan 8.150 nan 0.000 0.446 298 W N 0.752 122.094 121.300 0.070 0.000 2.355 298 W HA -0.170 4.490 4.660 -0.000 0.000 0.309 298 W C 1.763 178.300 176.519 0.030 0.000 1.206 298 W CA 1.792 59.205 57.345 0.113 0.000 1.284 298 W CB -0.102 29.475 29.460 0.195 0.000 1.145 298 W HN 0.229 nan 8.180 nan 0.000 0.502 299 I N 0.397 121.092 120.570 0.209 0.000 2.208 299 I HA -0.308 3.861 4.170 -0.000 0.000 0.245 299 I C 2.166 178.196 176.117 -0.145 0.000 1.097 299 I CA 2.065 63.320 61.300 -0.075 0.000 1.363 299 I CB -1.816 36.223 38.000 0.065 0.000 1.051 299 I HN 0.013 nan 8.210 nan 0.000 0.413 300 T N 1.308 115.837 114.554 -0.042 0.000 2.684 300 T HA -0.134 4.216 4.350 -0.000 0.000 0.267 300 T C 2.009 176.664 174.700 -0.074 0.000 1.036 300 T CA 1.680 63.758 62.100 -0.037 0.000 1.148 300 T CB -0.275 68.595 68.868 0.004 0.000 0.863 300 T HN 0.477 nan 8.240 nan 0.000 0.436 301 A N 1.512 124.279 122.820 -0.089 0.000 1.968 301 A HA -0.038 4.282 4.320 -0.000 0.000 0.217 301 A C 2.354 179.802 177.584 -0.227 0.000 1.169 301 A CA 0.865 52.868 52.037 -0.057 0.000 0.638 301 A CB -0.300 18.750 19.000 0.084 0.000 0.812 301 A HN 0.169 nan 8.150 nan 0.000 0.446 302 R N -0.000 120.173 120.500 -0.544 0.000 2.120 302 R HA -0.109 4.231 4.340 -0.000 0.000 0.234 302 R C 2.008 178.130 176.300 -0.296 0.000 1.123 302 R CA 1.191 56.849 56.100 -0.737 0.000 0.975 302 R CB -0.587 29.093 30.300 -1.033 0.000 0.866 302 R HN 0.758 nan 8.270 nan 0.000 0.446 303 E N 0.746 120.841 120.200 -0.175 0.000 2.023 303 E HA -0.132 4.218 4.350 -0.000 0.000 0.196 303 E C -0.873 175.685 176.600 -0.070 0.000 1.003 303 E CA 1.370 57.723 56.400 -0.078 0.000 0.809 303 E CB -0.680 28.993 29.700 -0.045 0.000 0.755 303 E HN 0.181 nan 8.360 nan 0.000 0.449 304 P HA -0.165 nan 4.420 nan 0.000 0.219 304 P C 1.720 178.991 177.300 -0.050 0.000 1.150 304 P CA 1.034 64.109 63.100 -0.042 0.000 0.814 304 P CB -0.719 30.984 31.700 0.004 0.000 0.787 305 W N 2.123 123.328 121.300 -0.158 0.000 2.333 305 W HA -0.166 4.494 4.660 -0.000 0.000 0.316 305 W C 1.639 178.039 176.519 -0.199 0.000 1.215 305 W CA 1.636 58.886 57.345 -0.158 0.000 1.278 305 W CB -0.441 28.832 29.460 -0.312 0.000 1.154 305 W HN 0.023 nan 8.180 nan 0.000 0.486 306 E N 0.093 120.154 120.200 -0.232 0.000 2.106 306 E HA -0.192 4.158 4.350 -0.000 0.000 0.192 306 E C 1.966 178.376 176.600 -0.317 0.000 0.984 306 E CA 0.966 57.212 56.400 -0.256 0.000 0.806 306 E CB -0.237 29.417 29.700 -0.077 0.000 0.750 306 E HN 0.022 nan 8.360 nan 0.000 0.458 307 K N 0.603 120.847 120.400 -0.259 0.000 2.555 307 K HA -0.005 4.314 4.320 -0.000 0.000 0.193 307 K C 1.805 178.136 176.600 -0.448 0.000 1.032 307 K CA 0.671 56.817 56.287 -0.234 0.000 1.004 307 K CB 0.232 32.658 32.500 -0.122 0.000 0.804 307 K HN 0.104 nan 8.250 nan 0.000 0.496 308 S N -0.668 114.580 115.700 -0.755 0.000 2.540 308 S HA 0.111 4.580 4.470 -0.000 0.000 0.218 308 S C 1.184 174.925 174.600 -1.431 0.000 0.977 308 S CA -0.239 57.076 58.200 -1.475 0.000 0.918 308 S CB 0.254 62.777 63.200 -1.128 0.000 0.806 308 S HN 0.182 nan 8.310 nan 0.000 0.496 309 E N 1.185 120.867 120.200 -0.864 0.000 2.482 309 E HA 0.149 4.499 4.350 -0.000 0.000 0.196 309 E C 1.685 178.073 176.600 -0.354 0.000 1.047 309 E CA 0.549 56.596 56.400 -0.588 0.000 0.869 309 E CB -0.056 29.398 29.700 -0.410 0.000 0.836 309 E HN 0.752 nan 8.360 nan 0.000 0.520 310 A N 0.989 123.611 122.820 -0.331 0.000 2.206 310 A HA -0.033 4.286 4.320 -0.000 0.000 0.211 310 A C 0.808 178.511 177.584 0.198 0.000 1.158 310 A CA 0.185 52.205 52.037 -0.029 0.000 0.761 310 A CB -0.428 18.623 19.000 0.084 0.000 0.801 310 A HN 0.273 nan 8.150 nan 0.000 0.473 311 F N -2.219 117.748 119.950 0.028 0.000 2.679 311 F HA 0.522 5.048 4.527 -0.001 0.000 0.354 311 F C -0.397 175.416 175.800 0.022 0.000 1.423 311 F CA -0.999 57.081 58.000 0.133 0.000 1.141 311 F CB -0.471 38.509 39.000 -0.034 0.000 1.168 311 F HN -0.165 nan 8.300 nan 0.000 0.530 312 L N 3.612 124.931 121.223 0.160 0.000 2.437 312 L HA 0.301 4.641 4.340 -0.000 0.000 0.243 312 L C -0.715 176.342 176.870 0.311 0.000 1.346 312 L CA -0.194 54.725 54.840 0.132 0.000 1.233 312 L CB -0.926 41.176 42.059 0.072 0.000 1.436 312 L HN 0.518 nan 8.230 nan 0.000 0.416 313 F N -1.918 118.167 119.950 0.227 0.000 2.664 313 F HA 0.911 5.439 4.527 0.001 0.000 0.317 313 F C 0.679 176.601 175.800 0.203 0.000 1.108 313 F CA -0.375 57.758 58.000 0.222 0.000 0.957 313 F CB 0.656 39.806 39.000 0.250 0.000 1.365 313 F HN 0.204 nan 8.300 nan 0.000 0.475 314 G N 1.082 110.045 108.800 0.271 0.000 2.547 314 G HA2 -0.250 3.710 3.960 -0.000 0.000 0.271 314 G HA3 -0.250 3.710 3.960 -0.000 0.000 0.271 314 G C -2.044 172.696 174.900 -0.267 0.000 1.209 314 G CA -0.061 44.884 45.100 -0.258 0.000 0.959 314 G HN 0.671 nan 8.290 nan 0.000 0.563 315 P HA -0.100 nan 4.420 nan 0.000 0.216 315 P C 2.087 179.390 177.300 0.005 0.000 1.157 315 P CA 2.200 65.197 63.100 -0.171 0.000 0.880 315 P CB -0.168 31.397 31.700 -0.225 0.000 0.791 316 V N -0.309 119.638 119.914 0.054 0.000 2.759 316 V HA -0.172 3.948 4.120 -0.000 0.000 0.256 316 V C 1.348 177.527 176.094 0.142 0.000 1.080 316 V CA 2.093 64.461 62.300 0.115 0.000 1.101 316 V CB -0.909 31.005 31.823 0.152 0.000 0.698 316 V HN 0.027 nan 8.190 nan 0.000 0.477 317 D N -0.589 119.888 120.400 0.129 0.000 2.388 317 D HA 0.155 4.794 4.640 -0.000 0.000 0.221 317 D C 0.599 176.979 176.300 0.134 0.000 1.133 317 D CA 0.047 54.139 54.000 0.152 0.000 0.831 317 D CB 0.251 41.168 40.800 0.196 0.000 0.962 317 D HN 0.656 nan 8.370 nan 0.000 0.502 321 L N 1.006 122.282 121.223 0.089 0.000 2.017 321 L HA 0.064 4.404 4.340 -0.000 0.000 0.208 321 L C 2.242 179.187 176.870 0.124 0.000 1.073 321 L CA 2.882 57.775 54.840 0.088 0.000 0.745 321 L CB -0.294 41.817 42.059 0.086 0.000 0.894 321 L HN 0.262 nan 8.230 nan 0.000 0.432 322 D N -0.549 119.965 120.400 0.189 0.000 2.092 322 D HA -0.132 4.508 4.640 -0.000 0.000 0.193 322 D C -0.658 175.766 176.300 0.207 0.000 0.994 322 D CA 1.752 55.924 54.000 0.287 0.000 0.828 322 D CB -1.047 39.938 40.800 0.309 0.000 0.963 322 D HN 0.290 nan 8.370 nan 0.000 0.450 323 P HA -0.055 nan 4.420 nan 0.000 0.223 323 P C 0.252 177.608 177.300 0.094 0.000 1.151 323 P CA 0.496 63.681 63.100 0.143 0.000 0.787 323 P CB -0.031 31.744 31.700 0.125 0.000 0.788 327 S N 0.891 116.783 115.700 0.319 0.000 2.572 327 S HA 0.420 4.890 4.470 -0.000 0.000 0.279 327 S C -0.768 174.145 174.600 0.522 0.000 1.341 327 S CA -0.107 58.296 58.200 0.339 0.000 1.043 327 S CB 0.629 63.955 63.200 0.210 0.000 0.887 327 S HN 0.372 nan 8.310 nan 0.000 0.516 328 W N 4.653 126.074 121.300 0.201 0.000 3.624 328 W HA 0.298 4.957 4.660 -0.001 0.000 0.312 328 W C -2.827 173.756 176.519 0.106 0.000 1.203 328 W CA -1.537 55.884 57.345 0.126 0.000 1.225 328 W CB 1.080 30.552 29.460 0.019 0.000 1.321 328 W HN 0.533 nan 8.180 nan 0.000 0.506 329 P HA 0.411 nan 4.420 nan 0.000 0.275 329 P C -0.687 176.315 177.300 -0.497 0.000 1.266 329 P CA -0.241 62.140 63.100 -1.199 0.000 0.793 329 P CB 1.653 32.861 31.700 -0.821 0.000 1.074 330 L N -0.361 120.584 121.223 -0.464 0.000 2.358 330 L HA 0.308 4.647 4.340 -0.000 0.000 0.268 330 L C 0.594 177.380 176.870 -0.140 0.000 1.032 330 L CA -0.759 53.994 54.840 -0.146 0.000 0.805 330 L CB 0.729 42.781 42.059 -0.011 0.000 1.253 330 L HN 0.340 nan 8.230 nan 0.000 0.452 331 D N 0.644 120.984 120.400 -0.100 0.000 2.517 331 D HA 0.087 4.727 4.640 -0.000 0.000 0.220 331 D C 0.766 176.980 176.300 -0.144 0.000 1.158 331 D CA 0.097 54.037 54.000 -0.100 0.000 0.992 331 D CB 0.793 41.548 40.800 -0.076 0.000 1.058 331 D HN 0.454 nan 8.370 nan 0.000 0.516 332 Q N 1.399 121.120 119.800 -0.131 0.000 2.119 332 Q HA -0.126 4.213 4.340 -0.000 0.000 0.201 332 Q C 1.405 177.301 176.000 -0.173 0.000 0.972 332 Q CA 0.834 56.519 55.803 -0.197 0.000 0.847 332 Q CB 0.121 28.872 28.738 0.021 0.000 0.903 332 Q HN 0.374 nan 8.270 nan 0.000 0.433 333 N N 1.003 119.648 118.700 -0.091 0.000 2.104 333 N HA -0.168 4.572 4.740 -0.000 0.000 0.190 333 N C 1.675 177.118 175.510 -0.111 0.000 1.024 333 N CA 1.533 54.540 53.050 -0.072 0.000 0.853 333 N CB -0.398 38.059 38.487 -0.051 0.000 1.008 333 N HN 0.275 nan 8.380 nan 0.000 0.424 334 A N 0.941 123.682 122.820 -0.131 0.000 1.933 334 A HA -0.051 4.269 4.320 -0.000 0.000 0.218 334 A C 2.332 179.773 177.584 -0.238 0.000 1.175 334 A CA 0.837 52.786 52.037 -0.148 0.000 0.628 334 A CB -0.590 18.340 19.000 -0.117 0.000 0.814 334 A HN 0.234 nan 8.150 nan 0.000 0.444 335 I N -0.535 119.846 120.570 -0.315 0.000 2.179 335 I HA -0.205 3.965 4.170 -0.000 0.000 0.242 335 I C 2.311 178.206 176.117 -0.370 0.000 1.088 335 I CA 1.072 62.103 61.300 -0.448 0.000 1.357 335 I CB -0.391 37.206 38.000 -0.671 0.000 1.051 335 I HN 0.139 nan 8.210 nan 0.000 0.409 336 V N 0.533 120.306 119.914 -0.235 0.000 2.332 336 V HA -0.343 3.777 4.120 -0.000 0.000 0.248 336 V C 2.508 178.532 176.094 -0.116 0.000 1.055 336 V CA 2.146 64.380 62.300 -0.110 0.000 1.038 336 V CB -0.747 31.071 31.823 -0.008 0.000 0.651 336 V HN 0.517 nan 8.190 nan 0.000 0.450 337 Q N -0.312 119.414 119.800 -0.124 0.000 2.084 337 Q HA -0.208 4.132 4.340 -0.000 0.000 0.202 337 Q C 2.224 178.154 176.000 -0.117 0.000 0.978 337 Q CA 2.047 57.794 55.803 -0.093 0.000 0.844 337 Q CB -0.208 28.483 28.738 -0.077 0.000 0.898 337 Q HN 0.642 nan 8.270 nan 0.000 0.426 338 I N 0.446 120.874 120.570 -0.237 0.000 2.163 338 I HA -0.334 3.836 4.170 -0.000 0.000 0.243 338 I C 2.120 178.069 176.117 -0.280 0.000 1.085 338 I CA 1.126 62.210 61.300 -0.360 0.000 1.347 338 I CB -0.184 37.266 38.000 -0.917 0.000 1.044 338 I HN 0.291 nan 8.210 nan 0.000 0.408 339 L N 0.219 121.271 121.223 -0.285 0.000 2.201 339 L HA -0.163 4.177 4.340 -0.000 0.000 0.212 339 L C 1.696 178.557 176.870 -0.014 0.000 1.105 339 L CA 0.944 55.688 54.840 -0.161 0.000 0.775 339 L CB -0.546 41.384 42.059 -0.215 0.000 0.913 339 L HN 0.324 nan 8.230 nan 0.000 0.440 340 N N -0.330 118.359 118.700 -0.018 0.000 2.398 340 N HA -0.008 4.732 4.740 -0.000 0.000 0.188 340 N C 0.575 176.103 175.510 0.029 0.000 1.122 340 N CA 0.216 53.276 53.050 0.017 0.000 0.866 340 N CB 0.170 38.662 38.487 0.009 0.000 0.970 340 N HN 0.259 nan 8.380 nan 0.000 0.462 341 S N -0.441 115.288 115.700 0.048 0.000 2.565 341 S HA 0.123 4.593 4.470 -0.000 0.000 0.274 341 S C 1.127 175.779 174.600 0.086 0.000 1.309 341 S CA -0.604 57.641 58.200 0.075 0.000 1.043 341 S CB 2.353 65.634 63.200 0.135 0.000 0.939 341 S HN 0.188 nan 8.310 nan 0.000 0.504 342 Q N 2.099 121.927 119.800 0.046 0.000 2.167 342 Q HA -0.126 4.213 4.340 -0.000 0.000 0.202 342 Q C 2.075 178.084 176.000 0.015 0.000 0.970 342 Q CA 1.713 57.534 55.803 0.029 0.000 0.855 342 Q CB -0.324 28.417 28.738 0.006 0.000 0.911 342 Q HN 1.005 nan 8.270 nan 0.000 0.438 343 S N -0.898 114.792 115.700 -0.017 0.000 2.356 343 S HA -0.171 4.299 4.470 -0.000 0.000 0.223 343 S C 1.461 175.964 174.600 -0.161 0.000 1.032 343 S CA 0.989 59.114 58.200 -0.126 0.000 1.005 343 S CB -0.939 62.134 63.200 -0.211 0.000 0.867 343 S HN 0.600 nan 8.310 nan 0.000 0.449 344 W N 1.574 122.859 121.300 -0.025 0.000 2.467 344 W HA 0.195 4.855 4.660 -0.001 0.000 0.275 344 W C 3.151 179.698 176.519 0.047 0.000 1.239 344 W CA 0.692 58.043 57.345 0.011 0.000 1.266 344 W CB -0.445 29.020 29.460 0.008 0.000 1.112 344 W HN 0.375 nan 8.180 nan 0.000 0.576 345 S N -0.057 115.772 115.700 0.216 0.000 2.383 345 S HA -0.161 4.309 4.470 -0.000 0.000 0.227 345 S C 1.295 175.959 174.600 0.107 0.000 1.026 345 S CA 1.671 59.961 58.200 0.150 0.000 0.981 345 S CB -0.271 62.984 63.200 0.091 0.000 0.818 345 S HN 0.088 nan 8.310 nan 0.000 0.472 346 D N 0.603 121.031 120.400 0.047 0.000 2.350 346 D HA 0.157 4.797 4.640 -0.000 0.000 0.213 346 D C 0.335 176.619 176.300 -0.026 0.000 1.031 346 D CA -0.089 53.916 54.000 0.009 0.000 0.861 346 D CB -0.240 40.545 40.800 -0.025 0.000 0.926 346 D HN 0.323 nan 8.370 nan 0.000 0.520 347 L N 1.885 123.073 121.223 -0.057 0.000 2.490 347 L HA 0.049 4.388 4.340 -0.000 0.000 0.274 347 L C 0.015 176.830 176.870 -0.092 0.000 1.201 347 L CA 0.510 55.244 54.840 -0.177 0.000 0.869 347 L CB 0.434 42.302 42.059 -0.319 0.000 1.123 347 L HN -0.179 nan 8.230 nan 0.000 0.484 348 E N 4.176 124.285 120.200 -0.151 0.000 2.234 348 E HA 0.198 4.547 4.350 -0.000 0.000 0.266 348 E C -1.501 175.057 176.600 -0.071 0.000 0.877 348 E CA -0.350 56.044 56.400 -0.009 0.000 0.758 348 E CB 0.983 30.703 29.700 0.033 0.000 1.170 348 E HN 0.553 nan 8.360 nan 0.000 0.415 349 W N 1.039 122.366 121.300 0.045 0.000 2.237 349 W HA 0.216 4.875 4.660 -0.001 0.000 0.335 349 W C 0.798 177.338 176.519 0.035 0.000 1.230 349 W CA -0.253 57.121 57.345 0.048 0.000 1.253 349 W CB 0.649 30.152 29.460 0.073 0.000 1.129 349 W HN 0.214 nan 8.180 nan 0.000 0.590 350 S N 2.420 118.269 115.700 0.248 0.000 2.560 350 S HA -0.014 4.456 4.470 -0.000 0.000 0.284 350 S C 0.107 174.807 174.600 0.167 0.000 1.327 350 S CA -0.641 57.654 58.200 0.158 0.000 1.055 350 S CB 0.207 63.479 63.200 0.121 0.000 0.868 350 S HN 0.253 nan 8.310 nan 0.000 0.506 351 E N 1.371 121.637 120.200 0.111 0.000 2.417 351 E HA 0.132 4.482 4.350 -0.000 0.000 0.261 351 E C 1.231 177.880 176.600 0.081 0.000 1.000 351 E CA 0.610 57.064 56.400 0.090 0.000 0.919 351 E CB 0.275 30.013 29.700 0.062 0.000 0.955 351 E HN 1.012 nan 8.360 nan 0.000 0.455 352 G N 3.733 112.577 108.800 0.073 0.000 2.258 352 G HA2 -0.283 3.677 3.960 -0.000 0.000 0.274 352 G HA3 -0.283 3.677 3.960 -0.000 0.000 0.274 352 G C -0.064 174.875 174.900 0.066 0.000 1.021 352 G CA 0.695 45.829 45.100 0.057 0.000 0.798 352 G HN 0.520 nan 8.290 nan 0.000 0.507 353 D N -0.350 120.108 120.400 0.097 0.000 2.349 353 D HA 0.473 5.112 4.640 -0.000 0.000 0.232 353 D C 0.571 176.939 176.300 0.113 0.000 1.071 353 D CA -0.872 53.192 54.000 0.107 0.000 0.832 353 D CB 0.892 41.779 40.800 0.145 0.000 1.086 353 D HN -0.017 nan 8.370 nan 0.000 0.504 354 D N 1.963 122.393 120.400 0.049 0.000 2.339 354 D HA -0.019 4.621 4.640 -0.000 0.000 0.217 354 D C 0.571 176.840 176.300 -0.051 0.000 1.050 354 D CA 0.134 54.119 54.000 -0.025 0.000 0.856 354 D CB 0.279 40.971 40.800 -0.179 0.000 0.922 354 D HN 0.681 nan 8.370 nan 0.000 0.518 355 E N 0.411 120.643 120.200 0.053 0.000 2.390 355 E HA 0.353 4.703 4.350 -0.000 0.000 0.261 355 E C -0.093 176.644 176.600 0.229 0.000 1.076 355 E CA -0.693 55.755 56.400 0.082 0.000 0.905 355 E CB 1.129 30.877 29.700 0.080 0.000 0.984 355 E HN -0.104 nan 8.360 nan 0.000 0.427 356 A N 1.931 124.872 122.820 0.201 0.000 2.466 356 A HA 0.351 4.671 4.320 -0.000 0.000 0.238 356 A C 1.083 178.851 177.584 0.308 0.000 1.074 356 A CA 0.346 52.577 52.037 0.322 0.000 0.774 356 A CB 0.454 19.568 19.000 0.190 0.000 1.015 356 A HN 0.863 nan 8.150 nan 0.000 0.498 357 A N 1.519 124.521 122.820 0.304 0.000 1.929 357 A HA 0.369 4.689 4.320 -0.000 0.000 0.216 357 A C 0.685 178.279 177.584 0.017 0.000 1.176 357 A CA 1.568 53.570 52.037 -0.058 0.000 0.628 357 A CB -0.153 18.533 19.000 -0.523 0.000 0.816 357 A HN 1.034 nan 8.150 nan 0.000 0.444 358 V N -0.057 119.961 119.914 0.174 0.000 2.733 358 V HA 0.288 4.408 4.120 -0.000 0.000 0.306 358 V C -0.877 175.323 176.094 0.175 0.000 1.084 358 V CA -0.705 61.701 62.300 0.177 0.000 0.905 358 V CB 1.793 33.809 31.823 0.322 0.000 1.010 358 V HN 0.378 nan 8.190 nan 0.000 0.424 359 E N 2.885 123.153 120.200 0.112 0.000 1.842 359 E HA 0.239 4.589 4.350 -0.000 0.000 0.278 359 E C 0.278 176.938 176.600 0.100 0.000 1.171 359 E CA 0.218 56.669 56.400 0.086 0.000 1.127 359 E CB -0.079 29.655 29.700 0.056 0.000 1.100 359 E HN 0.701 nan 8.360 nan 0.000 0.456 360 S N 1.583 117.357 115.700 0.123 0.000 2.584 360 S HA 0.365 4.835 4.470 -0.000 0.000 0.270 360 S C 0.234 174.890 174.600 0.093 0.000 1.346 360 S CA -0.242 58.044 58.200 0.143 0.000 1.018 360 S CB 0.928 64.230 63.200 0.169 0.000 0.899 360 S HN 0.661 nan 8.310 nan 0.000 0.542 361 A N 1.374 124.248 122.820 0.091 0.000 2.483 361 A HA 0.098 4.418 4.320 -0.000 0.000 0.238 361 A C 1.234 178.853 177.584 0.059 0.000 1.070 361 A CA -0.085 51.990 52.037 0.064 0.000 0.770 361 A CB -0.077 18.954 19.000 0.051 0.000 1.008 361 A HN 0.935 nan 8.150 nan 0.000 0.497 362 Q N 0.762 120.594 119.800 0.053 0.000 2.112 362 Q HA -0.243 4.097 4.340 -0.000 0.000 0.206 362 Q C 1.291 177.332 176.000 0.069 0.000 0.987 362 Q CA 1.955 57.794 55.803 0.060 0.000 0.858 362 Q CB -0.241 28.536 28.738 0.065 0.000 0.905 362 Q HN 0.981 nan 8.270 nan 0.000 0.420 363 N N -0.395 118.336 118.700 0.052 0.000 2.449 363 N HA -0.060 4.679 4.740 -0.000 0.000 0.191 363 N C 0.677 176.203 175.510 0.026 0.000 1.161 363 N CA 0.814 53.888 53.050 0.039 0.000 0.863 363 N CB 0.437 38.926 38.487 0.004 0.000 0.980 363 N HN 0.195 nan 8.380 nan 0.000 0.458 364 V N -3.224 116.716 119.914 0.045 0.000 3.017 364 V HA 0.469 4.588 4.120 -0.000 0.000 0.354 364 V C 0.244 176.397 176.094 0.098 0.000 1.389 364 V CA -0.794 61.538 62.300 0.054 0.000 1.163 364 V CB -0.894 30.949 31.823 0.034 0.000 1.178 364 V HN 0.336 nan 8.190 nan 0.000 0.547 365 R N -0.720 119.819 120.500 0.065 0.000 3.080 365 R HA 0.942 5.281 4.340 -0.000 0.000 0.248 365 R C 0.454 176.775 176.300 0.035 0.000 1.324 365 R CA -0.229 55.876 56.100 0.008 0.000 1.036 365 R CB 0.740 31.032 30.300 -0.015 0.000 1.360 365 R HN 1.212 nan 8.270 nan 0.000 0.479 366 G N -0.700 108.072 108.800 -0.048 0.000 2.760 366 G HA2 -0.271 3.688 3.960 -0.000 0.000 0.246 366 G HA3 -0.271 3.688 3.960 -0.000 0.000 0.246 366 G C -0.075 174.816 174.900 -0.014 0.000 1.359 366 G CA 0.044 45.088 45.100 -0.093 0.000 0.861 366 G HN 0.448 nan 8.290 nan 0.000 0.541 367 F N -0.119 119.786 119.950 -0.075 0.000 2.120 367 F HA -0.079 4.448 4.527 -0.001 0.000 0.300 367 F C 2.740 178.701 175.800 0.268 0.000 1.095 367 F CA 2.420 60.437 58.000 0.028 0.000 1.249 367 F CB -0.252 38.555 39.000 -0.322 0.000 0.995 367 F HN 0.558 nan 8.300 nan 0.000 0.480 368 H N -1.553 117.862 119.070 0.575 0.000 2.470 368 H HA -0.004 4.552 4.556 -0.001 0.000 0.289 368 H C 2.221 177.856 175.328 0.510 0.000 1.033 368 H CA 1.579 57.968 56.048 0.568 0.000 1.331 368 H CB -0.721 29.413 29.762 0.621 0.000 1.414 368 H HN 0.207 nan 8.280 nan 0.000 0.545 369 T N 1.663 116.477 114.554 0.433 0.000 2.777 369 T HA -0.099 4.251 4.350 -0.000 0.000 0.266 369 T C 2.180 177.015 174.700 0.225 0.000 1.040 369 T CA 0.595 62.849 62.100 0.257 0.000 1.141 369 T CB -0.303 68.635 68.868 0.117 0.000 0.868 369 T HN 0.063 nan 8.240 nan 0.000 0.444 370 L N 1.525 122.876 121.223 0.214 0.000 2.083 370 L HA -0.006 4.334 4.340 -0.000 0.000 0.209 370 L C 2.424 179.354 176.870 0.099 0.000 1.083 370 L CA 1.758 56.706 54.840 0.179 0.000 0.752 370 L CB -0.733 41.479 42.059 0.254 0.000 0.899 370 L HN 0.286 nan 8.230 nan 0.000 0.433 371 E N -1.214 119.011 120.200 0.042 0.000 2.058 371 E HA -0.325 4.025 4.350 -0.000 0.000 0.194 371 E C 2.235 178.862 176.600 0.046 0.000 0.997 371 E CA 1.669 57.913 56.400 -0.260 0.000 0.801 371 E CB -0.373 29.176 29.700 -0.251 0.000 0.746 371 E HN 0.494 nan 8.360 nan 0.000 0.450 372 F N 1.146 121.067 119.950 -0.047 0.000 2.126 372 F HA -0.175 4.352 4.527 -0.000 0.000 0.299 372 F C 1.905 177.604 175.800 -0.169 0.000 1.096 372 F CA 1.344 59.100 58.000 -0.408 0.000 1.255 372 F CB -0.065 38.746 39.000 -0.314 0.000 0.997 372 F HN 0.005 nan 8.300 nan 0.000 0.479 373 L N -0.498 120.868 121.223 0.238 0.000 2.395 373 L HA -0.113 4.227 4.340 -0.000 0.000 0.218 373 L C 1.901 179.058 176.870 0.479 0.000 1.130 373 L CA 0.565 55.599 54.840 0.322 0.000 0.826 373 L CB -0.333 41.847 42.059 0.201 0.000 0.941 373 L HN 0.254 nan 8.230 nan 0.000 0.451 374 L N -2.519 118.814 121.223 0.183 0.000 2.537 374 L HA 0.140 4.480 4.340 -0.000 0.000 0.224 374 L C -0.084 176.622 176.870 -0.274 0.000 1.065 374 L CA -0.003 54.865 54.840 0.047 0.000 0.860 374 L CB 0.337 42.303 42.059 -0.155 0.000 1.086 374 L HN 0.040 nan 8.230 nan 0.000 0.482 375 Y N -0.397 119.774 120.300 -0.216 0.000 2.524 375 Y HA 0.511 5.061 4.550 -0.000 0.000 0.344 375 Y C -0.188 175.500 175.900 -0.353 0.000 1.012 375 Y CA -0.917 57.011 58.100 -0.285 0.000 1.068 375 Y CB 1.918 40.201 38.460 -0.296 0.000 1.249 375 Y HN -0.242 nan 8.280 nan 0.000 0.468 376 K N 2.057 122.379 120.400 -0.130 0.000 2.535 376 K HA 0.315 4.635 4.320 -0.000 0.000 0.250 376 K C -1.007 175.523 176.600 -0.115 0.000 0.948 376 K CA -0.535 55.645 56.287 -0.179 0.000 0.796 376 K CB 0.702 33.092 32.500 -0.183 0.000 1.216 376 K HN 0.796 nan 8.250 nan 0.000 0.432 377 N N 2.723 121.405 118.700 -0.030 0.000 2.740 377 N HA -0.204 4.536 4.740 -0.000 0.000 0.248 377 N C 0.447 175.731 175.510 -0.377 0.000 1.062 377 N CA 1.659 54.780 53.050 0.117 0.000 0.704 377 N CB -1.340 37.234 38.487 0.146 0.000 0.968 377 N HN 1.110 nan 8.380 nan 0.000 0.547 378 G N -1.905 106.601 108.800 -0.490 0.000 2.176 378 G HA2 -0.297 3.663 3.960 -0.000 0.000 0.253 378 G HA3 -0.297 3.663 3.960 -0.000 0.000 0.253 378 G C -0.265 174.367 174.900 -0.446 0.000 0.979 378 G CA 0.660 45.206 45.100 -0.924 0.000 0.641 378 G HN 0.464 nan 8.290 nan 0.000 0.530 379 E N 0.045 120.110 120.200 -0.225 0.000 2.369 379 E HA 0.482 4.832 4.350 -0.000 0.000 0.270 379 E C -2.789 173.772 176.600 -0.065 0.000 0.909 379 E CA -2.023 54.307 56.400 -0.116 0.000 0.775 379 E CB 1.912 31.492 29.700 -0.200 0.000 1.270 379 E HN 0.008 nan 8.360 nan 0.000 0.445 380 P HA 0.044 nan 4.420 nan 0.000 0.266 380 P C -0.114 176.955 177.300 -0.385 0.000 1.195 380 P CA 0.263 63.145 63.100 -0.362 0.000 0.768 380 P CB 0.517 32.056 31.700 -0.267 0.000 0.838 381 R N 2.253 122.404 120.500 -0.581 0.000 2.784 381 R HA 0.213 4.553 4.340 -0.000 0.000 0.266 381 R C 0.408 176.167 176.300 -0.903 0.000 1.044 381 R CA 0.212 55.836 56.100 -0.794 0.000 1.151 381 R CB 0.306 29.940 30.300 -1.109 0.000 1.037 381 R HN 0.453 nan 8.270 nan 0.000 0.478 382 K N 0.653 120.650 120.400 -0.670 0.000 2.328 382 K HA 0.316 4.636 4.320 -0.000 0.000 0.246 382 K C -0.455 175.910 176.600 -0.391 0.000 0.955 382 K CA -0.918 55.104 56.287 -0.443 0.000 0.817 382 K CB 2.062 34.418 32.500 -0.240 0.000 1.208 382 K HN 0.372 nan 8.250 nan 0.000 0.432 383 V N -0.970 118.829 119.914 -0.192 0.000 3.083 383 V HA 0.222 4.342 4.120 -0.000 0.000 0.306 383 V C 0.391 176.489 176.094 0.006 0.000 1.077 383 V CA -0.634 61.668 62.300 0.002 0.000 1.073 383 V CB 1.000 32.877 31.823 0.090 0.000 1.081 383 V HN 0.752 nan 8.190 nan 0.000 0.474 384 Q N 0.000 119.834 119.800 0.056 0.000 2.315 384 Q HA 0.000 4.340 4.340 -0.000 0.000 0.214 384 Q CA 0.000 55.806 55.803 0.005 0.000 1.022 384 Q CB 0.000 28.736 28.738 -0.003 0.000 1.108 384 Q HN 0.000 nan 8.270 nan 0.000 0.481