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 2noo_1_A DATA FIRST_RESID 4 DATA SEQUENCE DEITTAWPVN VGPLNPHLAT PNQMFAQSMV YEPLVKYQAD GSVIPWLAKS DATA SEQUENCE WTHSEDGKTW TFTLRDDVKF SNGEPFDAEA AAENFRAVLD NRQAHAALEL DATA SEQUENCE ANQIVDVKAL SKTELQITLK SAYYPFLQEL ALPAPFRFIA PSQFKNHETM DATA SEQUENCE NGIKAPIGTG PWILQESKLN QYDVFVRNEN YWGEKPAIKK ITFNVIPDPT DATA SEQUENCE TRAVAFETGD IDLLYGNEGL LPLDTFARFS QNPAYHTQLS QPIETVMLAL DATA SEQUENCE NTAKAPTNEL AVREALNYAV NKKSLIDNAL YGTQQVADTL FAPSVPXANL DATA SEQUENCE GLKPSQYDPQ KAKALLEKAG WTLPAGKDIR EKNGQPLRIE LSFIGTDALS DATA SEQUENCE KSMAEIIQAD MRQIGADVSL IGEEESSIXA RQRDGRFGMI FHRTAGAPAD DATA SEQUENCE PHAFLSSMRV PSHADFQAQQ GLADKPLIDK EIGEVLATHD ETQRQALYRD DATA SEQUENCE ILTRLHDEAV YLPISYISMM VVSKPELGNI PYAPIATEIP FEQIKP VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 4 D HA 0.000 nan 4.640 nan 0.000 0.175 4 D C 0.000 176.327 176.300 0.044 0.000 2.045 4 D CA 0.000 54.021 54.000 0.035 0.000 0.868 4 D CB 0.000 40.820 40.800 0.033 0.000 0.688 5 E N 0.996 121.208 120.200 0.020 0.000 2.266 5 E HA 0.676 5.048 4.350 0.036 0.000 0.268 5 E C -0.209 176.377 176.600 -0.022 0.000 0.879 5 E CA -0.884 55.517 56.400 0.003 0.000 0.762 5 E CB 2.914 32.607 29.700 -0.012 0.000 1.199 5 E HN 0.140 nan 8.360 nan 0.000 0.422 6 I N -1.964 118.569 120.570 -0.061 0.000 2.934 6 I HA 0.666 4.858 4.170 0.036 0.000 0.306 6 I C -0.772 175.258 176.117 -0.145 0.000 1.110 6 I CA -0.685 60.566 61.300 -0.082 0.000 1.019 6 I CB 2.559 40.523 38.000 -0.059 0.000 1.227 6 I HN 0.227 nan 8.210 nan 0.000 0.434 7 T N 2.147 116.626 114.554 -0.125 0.000 2.861 7 T HA 0.569 4.941 4.350 0.036 0.000 0.287 7 T C -0.360 174.249 174.700 -0.153 0.000 1.003 7 T CA -0.422 61.583 62.100 -0.158 0.000 0.977 7 T CB 1.913 70.721 68.868 -0.100 0.000 0.996 7 T HN 0.871 nan 8.240 nan 0.000 0.448 8 T N 0.701 115.096 114.554 -0.265 0.000 2.645 8 T HA 0.866 5.238 4.350 0.036 0.000 0.273 8 T C -1.566 173.077 174.700 -0.095 0.000 0.960 8 T CA -0.413 61.572 62.100 -0.191 0.000 1.051 8 T CB 1.276 69.975 68.868 -0.283 0.000 1.366 8 T HN 0.852 nan 8.240 nan 0.000 0.536 9 A N 0.305 123.133 122.820 0.013 0.000 2.498 9 A HA 0.748 5.090 4.320 0.036 0.000 0.298 9 A C -1.873 175.901 177.584 0.317 0.000 1.075 9 A CA -0.710 51.413 52.037 0.142 0.000 0.714 9 A CB 1.413 20.454 19.000 0.069 0.000 1.299 9 A HN 0.717 nan 8.150 nan 0.000 0.407 10 W N 2.349 123.678 121.300 0.048 0.000 3.167 10 W HA 0.393 5.037 4.660 -0.028 0.000 0.324 10 W C -2.332 174.182 176.519 -0.009 0.000 1.230 10 W CA -1.942 55.407 57.345 0.008 0.000 1.184 10 W CB 2.527 32.035 29.460 0.079 0.000 1.414 10 W HN 0.581 nan 8.180 nan 0.000 0.551 11 P HA -0.099 nan 4.420 nan 0.000 0.223 11 P C 0.292 177.589 177.300 -0.005 0.000 1.151 11 P CA 1.326 64.321 63.100 -0.175 0.000 0.787 11 P CB 0.688 32.211 31.700 -0.296 0.000 0.788 12 V N -4.383 115.613 119.914 0.136 0.000 3.114 12 V HA 0.507 4.649 4.120 0.036 0.000 0.308 12 V C -0.728 175.507 176.094 0.234 0.000 1.168 12 V CA -1.621 60.776 62.300 0.162 0.000 1.015 12 V CB 1.210 33.112 31.823 0.131 0.000 1.050 12 V HN -0.254 nan 8.190 nan 0.000 0.433 13 N N 0.520 119.292 118.700 0.121 0.000 2.479 13 N HA 0.386 5.148 4.740 0.036 0.000 0.257 13 N C 0.946 176.496 175.510 0.067 0.000 1.232 13 N CA 0.304 53.397 53.050 0.071 0.000 0.920 13 N CB 1.575 40.070 38.487 0.014 0.000 1.105 13 N HN 0.892 nan 8.380 nan 0.000 0.444 14 V N -1.079 118.840 119.914 0.008 0.000 3.660 14 V HA 0.376 4.517 4.120 0.036 0.000 0.276 14 V C 1.032 177.132 176.094 0.010 0.000 1.317 14 V CA -0.045 62.261 62.300 0.010 0.000 1.097 14 V CB -0.703 31.082 31.823 -0.064 0.000 0.863 14 V HN 0.544 nan 8.190 nan 0.000 0.438 15 G N 2.424 111.215 108.800 -0.016 0.000 2.491 15 G HA2 0.363 4.345 3.960 0.036 0.000 0.238 15 G HA3 0.363 4.345 3.960 0.036 0.000 0.238 15 G C -0.587 174.314 174.900 0.002 0.000 1.277 15 G CA 0.013 45.103 45.100 -0.016 0.000 0.851 15 G HN 0.463 nan 8.290 nan 0.000 0.573 16 P HA 0.022 nan 4.420 nan 0.000 0.245 16 P C 0.687 178.010 177.300 0.038 0.000 1.212 16 P CA -0.404 62.701 63.100 0.008 0.000 0.774 16 P CB 0.213 31.914 31.700 0.002 0.000 0.999 17 L N 0.373 121.630 121.223 0.057 0.000 3.795 17 L HA -0.185 4.177 4.340 0.036 0.000 0.489 17 L C -0.212 176.747 176.870 0.148 0.000 1.259 17 L CA 0.240 55.157 54.840 0.128 0.000 0.765 17 L CB -2.203 39.953 42.059 0.163 0.000 1.519 17 L HN 0.143 nan 8.230 nan 0.000 0.842 18 N N 2.270 120.984 118.700 0.022 0.000 2.430 18 N HA 0.296 5.057 4.740 0.036 0.000 0.265 18 N C -1.387 173.977 175.510 -0.242 0.000 1.100 18 N CA -1.570 51.414 53.050 -0.109 0.000 0.961 18 N CB 1.229 39.658 38.487 -0.097 0.000 1.075 18 N HN 0.181 nan 8.380 nan 0.000 0.478 19 P HA -0.071 nan 4.420 nan 0.000 0.226 19 P C 0.015 177.106 177.300 -0.348 0.000 1.153 19 P CA 1.402 64.063 63.100 -0.732 0.000 0.777 19 P CB 0.123 30.997 31.700 -1.378 0.000 0.794 20 H N -1.425 117.474 119.070 -0.284 0.000 2.652 20 H HA 0.329 4.910 4.556 0.041 0.000 0.274 20 H C 0.929 176.215 175.328 -0.070 0.000 1.021 20 H CA -0.224 55.690 56.048 -0.225 0.000 1.187 20 H CB 0.379 29.983 29.762 -0.263 0.000 1.505 20 H HN 0.019 nan 8.280 nan 0.000 0.530 21 L N 1.261 122.483 121.223 -0.001 0.000 3.193 21 L HA 0.421 4.783 4.340 0.036 0.000 0.305 21 L C 0.025 176.887 176.870 -0.013 0.000 1.299 21 L CA -0.603 54.232 54.840 -0.007 0.000 0.904 21 L CB 0.831 42.874 42.059 -0.027 0.000 1.331 21 L HN 0.117 nan 8.230 nan 0.000 0.588 22 A N 0.799 123.614 122.820 -0.008 0.000 2.454 22 A HA 0.480 4.821 4.320 0.036 0.000 0.260 22 A C 0.790 178.385 177.584 0.019 0.000 1.106 22 A CA 0.088 52.129 52.037 0.007 0.000 0.780 22 A CB 0.059 19.060 19.000 0.001 0.000 1.044 22 A HN 0.418 nan 8.150 nan 0.000 0.498 23 T N 0.691 115.270 114.554 0.041 0.000 2.927 23 T HA 0.541 4.913 4.350 0.036 0.000 0.281 23 T C -1.969 172.784 174.700 0.087 0.000 0.998 23 T CA -1.663 60.468 62.100 0.051 0.000 1.019 23 T CB 1.089 69.991 68.868 0.057 0.000 1.061 23 T HN 0.284 nan 8.240 nan 0.000 0.518 24 P HA -0.031 nan 4.420 nan 0.000 0.216 24 P C 1.204 178.648 177.300 0.241 0.000 1.150 24 P CA 0.810 63.989 63.100 0.131 0.000 0.837 24 P CB -0.037 31.719 31.700 0.093 0.000 0.786 25 N N -0.897 117.937 118.700 0.224 0.000 2.550 25 N HA -0.070 4.692 4.740 0.036 0.000 0.186 25 N C 1.424 177.213 175.510 0.465 0.000 1.110 25 N CA 0.733 54.003 53.050 0.366 0.000 0.912 25 N CB -0.274 38.359 38.487 0.242 0.000 0.968 25 N HN 0.365 nan 8.380 nan 0.000 0.448 26 Q N -0.991 118.974 119.800 0.276 0.000 2.356 26 Q HA 0.179 4.540 4.340 0.036 0.000 0.205 26 Q C 1.299 177.405 176.000 0.178 0.000 0.901 26 Q CA -0.031 55.880 55.803 0.181 0.000 0.938 26 Q CB 0.237 29.044 28.738 0.116 0.000 1.081 26 Q HN 0.147 nan 8.270 nan 0.000 0.517 27 M N -0.387 119.354 119.600 0.235 0.000 2.229 27 M HA -0.059 4.443 4.480 0.036 0.000 0.264 27 M C 0.958 177.286 176.300 0.046 0.000 1.063 27 M CA 1.587 56.945 55.300 0.097 0.000 1.114 27 M CB -0.028 32.577 32.600 0.008 0.000 1.387 27 M HN 0.163 nan 8.290 nan 0.000 0.420 28 F N -0.855 119.134 119.950 0.066 0.000 2.128 28 F HA -0.063 4.482 4.527 0.030 0.000 0.295 28 F C 2.349 178.076 175.800 -0.123 0.000 1.100 28 F CA 1.027 59.033 58.000 0.010 0.000 1.260 28 F CB -1.041 38.013 39.000 0.090 0.000 1.009 28 F HN 0.178 nan 8.300 nan 0.000 0.476 29 A N -0.347 122.435 122.820 -0.063 0.000 1.933 29 A HA -0.269 4.073 4.320 0.036 0.000 0.218 29 A C 2.027 179.604 177.584 -0.012 0.000 1.175 29 A CA 1.702 53.613 52.037 -0.210 0.000 0.628 29 A CB -0.892 17.971 19.000 -0.229 0.000 0.814 29 A HN 0.382 nan 8.150 nan 0.000 0.444 30 Q N 0.213 120.063 119.800 0.084 0.000 2.096 30 Q HA -0.180 4.182 4.340 0.036 0.000 0.208 30 Q C 2.146 178.257 176.000 0.185 0.000 0.993 30 Q CA 2.452 58.376 55.803 0.201 0.000 0.862 30 Q CB -0.426 28.395 28.738 0.138 0.000 0.915 30 Q HN 0.558 nan 8.270 nan 0.000 0.416 31 S N -0.874 114.882 115.700 0.093 0.000 2.489 31 S HA 0.024 4.516 4.470 0.036 0.000 0.228 31 S C 1.605 176.274 174.600 0.114 0.000 0.995 31 S CA 0.755 59.010 58.200 0.092 0.000 0.934 31 S CB -0.091 63.124 63.200 0.026 0.000 0.771 31 S HN 0.396 nan 8.310 nan 0.000 0.522 32 M N 0.133 119.781 119.600 0.079 0.000 2.254 32 M HA -0.020 4.482 4.480 0.036 0.000 0.265 32 M C 1.719 178.122 176.300 0.172 0.000 1.066 32 M CA 1.175 56.558 55.300 0.137 0.000 1.123 32 M CB -0.173 32.343 32.600 -0.141 0.000 1.388 32 M HN 0.163 nan 8.290 nan 0.000 0.425 33 V N -2.079 117.855 119.914 0.033 0.000 2.788 33 V HA 0.003 4.145 4.120 0.036 0.000 0.241 33 V C 0.212 176.187 176.094 -0.199 0.000 1.083 33 V CA 0.573 62.779 62.300 -0.157 0.000 1.103 33 V CB -0.092 31.440 31.823 -0.485 0.000 0.800 33 V HN 0.212 nan 8.190 nan 0.000 0.476 34 Y N 0.404 120.816 120.300 0.188 0.000 2.387 34 Y HA 0.619 5.185 4.550 0.026 0.000 0.336 34 Y C 0.233 176.262 175.900 0.214 0.000 1.067 34 Y CA -0.695 57.523 58.100 0.196 0.000 1.114 34 Y CB 1.312 39.842 38.460 0.117 0.000 1.208 34 Y HN 0.134 nan 8.280 nan 0.000 0.458 35 E N 4.251 124.722 120.200 0.452 0.000 2.312 35 E HA 0.425 4.797 4.350 0.036 0.000 0.267 35 E C -2.753 174.110 176.600 0.438 0.000 0.894 35 E CA -2.324 54.349 56.400 0.454 0.000 0.773 35 E CB 2.546 32.619 29.700 0.622 0.000 1.241 35 E HN 0.265 nan 8.360 nan 0.000 0.432 36 P HA 0.228 nan 4.420 nan 0.000 0.284 36 P C 0.476 178.025 177.300 0.416 0.000 1.287 36 P CA -0.500 62.792 63.100 0.321 0.000 0.824 36 P CB 1.297 33.068 31.700 0.118 0.000 1.180 37 L N -0.373 121.051 121.223 0.335 0.000 2.083 37 L HA -0.022 4.340 4.340 0.036 0.000 0.209 37 L C 1.185 178.178 176.870 0.206 0.000 1.083 37 L CA 1.438 56.389 54.840 0.185 0.000 0.752 37 L CB -0.492 41.509 42.059 -0.097 0.000 0.899 37 L HN 0.265 nan 8.230 nan 0.000 0.433 38 V N -3.538 116.448 119.914 0.120 0.000 2.925 38 V HA 0.476 4.618 4.120 0.036 0.000 0.311 38 V C -0.762 175.367 176.094 0.057 0.000 1.104 38 V CA -1.091 61.274 62.300 0.109 0.000 0.954 38 V CB 2.183 33.905 31.823 -0.168 0.000 1.022 38 V HN 0.047 nan 8.190 nan 0.000 0.427 39 K N 2.627 123.061 120.400 0.056 0.000 2.323 39 K HA 0.472 4.814 4.320 0.036 0.000 0.259 39 K C -1.340 175.250 176.600 -0.018 0.000 0.947 39 K CA -0.760 55.447 56.287 -0.134 0.000 0.819 39 K CB 1.540 33.767 32.500 -0.455 0.000 1.109 39 K HN 0.864 nan 8.250 nan 0.000 0.429 40 Y N 3.211 123.431 120.300 -0.134 0.000 2.497 40 Y HA 0.031 4.603 4.550 0.037 0.000 0.334 40 Y C -0.397 175.456 175.900 -0.077 0.000 1.199 40 Y CA 0.616 58.664 58.100 -0.087 0.000 1.425 40 Y CB 0.784 39.189 38.460 -0.091 0.000 1.291 40 Y HN 0.521 nan 8.280 nan 0.000 0.562 41 Q N 3.867 123.219 119.800 -0.746 0.000 2.348 41 Q HA 0.477 4.839 4.340 0.036 0.000 0.271 41 Q C 0.701 176.190 176.000 -0.852 0.000 1.067 41 Q CA -0.072 55.390 55.803 -0.568 0.000 0.839 41 Q CB 1.934 30.496 28.738 -0.293 0.000 1.354 41 Q HN 0.898 nan 8.270 nan 0.000 0.447 42 A N 1.874 124.447 122.820 -0.412 0.000 1.986 42 A HA -0.237 4.105 4.320 0.036 0.000 0.220 42 A C 1.186 178.626 177.584 -0.241 0.000 1.171 42 A CA 2.372 54.255 52.037 -0.257 0.000 0.640 42 A CB -0.481 18.447 19.000 -0.120 0.000 0.811 42 A HN 0.800 nan 8.150 nan 0.000 0.451 43 D N -2.273 117.985 120.400 -0.236 0.000 2.378 43 D HA 0.246 4.908 4.640 0.036 0.000 0.227 43 D C 1.206 177.408 176.300 -0.163 0.000 1.012 43 D CA 1.178 55.083 54.000 -0.159 0.000 0.905 43 D CB -0.573 40.161 40.800 -0.108 0.000 0.895 43 D HN 0.872 nan 8.370 nan 0.000 0.532 44 G N -0.404 108.223 108.800 -0.289 0.000 2.213 44 G HA2 -0.263 3.719 3.960 0.036 0.000 0.236 44 G HA3 -0.263 3.719 3.960 0.036 0.000 0.236 44 G C 0.443 175.307 174.900 -0.060 0.000 0.991 44 G CA 0.358 45.394 45.100 -0.105 0.000 0.629 44 G HN 0.848 nan 8.290 nan 0.000 0.517 45 S N -0.462 115.151 115.700 -0.145 0.000 2.681 45 S HA 0.830 5.322 4.470 0.036 0.000 0.270 45 S C 0.325 174.907 174.600 -0.031 0.000 1.209 45 S CA 0.035 58.220 58.200 -0.025 0.000 0.988 45 S CB 2.172 65.375 63.200 0.004 0.000 1.006 45 S HN 1.836 nan 8.310 nan 0.000 0.558 46 V N -0.794 119.177 119.914 0.096 0.000 2.815 46 V HA 0.845 4.986 4.120 0.036 0.000 0.314 46 V C -0.312 175.941 176.094 0.264 0.000 1.064 46 V CA -1.161 61.212 62.300 0.122 0.000 0.952 46 V CB 0.830 32.692 31.823 0.066 0.000 1.020 46 V HN 1.109 nan 8.190 nan 0.000 0.439 47 I N -0.589 120.142 120.570 0.269 0.000 2.957 47 I HA 0.810 5.001 4.170 0.036 0.000 0.310 47 I C -2.772 173.656 176.117 0.518 0.000 1.063 47 I CA -2.949 58.581 61.300 0.383 0.000 1.033 47 I CB 2.038 40.190 38.000 0.254 0.000 1.230 47 I HN 0.362 nan 8.210 nan 0.000 0.447 48 P HA -0.029 nan 4.420 nan 0.000 0.265 48 P C -0.998 176.671 177.300 0.616 0.000 1.187 48 P CA 0.321 63.771 63.100 0.583 0.000 0.766 48 P CB 0.477 32.402 31.700 0.375 0.000 0.820 49 W N 2.692 124.131 121.300 0.232 0.000 4.481 49 W HA 0.143 4.824 4.660 0.034 0.000 0.599 49 W C 1.318 177.810 176.519 -0.045 0.000 3.470 49 W CA -0.091 57.366 57.345 0.186 0.000 1.136 49 W CB -0.391 29.199 29.460 0.217 0.000 2.118 49 W HN -0.002 nan 8.180 nan 0.000 0.349 50 L N 1.804 123.023 121.223 -0.006 0.000 2.191 50 L HA -0.001 4.361 4.340 0.036 0.000 0.212 50 L C 1.150 177.972 176.870 -0.080 0.000 1.103 50 L CA 0.984 55.611 54.840 -0.355 0.000 0.769 50 L CB -0.990 40.793 42.059 -0.461 0.000 0.908 50 L HN 0.040 nan 8.230 nan 0.000 0.438 51 A N -0.246 122.665 122.820 0.152 0.000 2.301 51 A HA 0.244 4.586 4.320 0.036 0.000 0.298 51 A C 0.955 178.738 177.584 0.333 0.000 1.185 51 A CA -0.473 51.748 52.037 0.307 0.000 0.830 51 A CB 0.639 19.962 19.000 0.538 0.000 1.112 51 A HN 0.112 nan 8.150 nan 0.000 0.508 52 K N 0.783 121.324 120.400 0.235 0.000 2.167 52 K HA 0.016 4.357 4.320 0.036 0.000 0.203 52 K C 0.484 177.200 176.600 0.192 0.000 1.052 52 K CA 1.431 57.820 56.287 0.170 0.000 0.956 52 K CB -0.043 32.500 32.500 0.072 0.000 0.735 52 K HN 0.901 nan 8.250 nan 0.000 0.451 53 S N -1.145 114.718 115.700 0.272 0.000 2.636 53 S HA 0.533 5.025 4.470 0.036 0.000 0.266 53 S C -1.990 172.801 174.600 0.319 0.000 1.147 53 S CA -1.263 56.970 58.200 0.054 0.000 0.815 53 S CB 0.820 63.964 63.200 -0.094 0.000 1.119 53 S HN 0.369 nan 8.310 nan 0.000 0.470 54 W N -0.332 120.990 121.300 0.038 0.000 3.066 54 W HA 0.775 5.458 4.660 0.038 0.000 0.330 54 W C -1.081 175.394 176.519 -0.073 0.000 1.253 54 W CA -0.346 56.927 57.345 -0.119 0.000 1.187 54 W CB 0.481 29.707 29.460 -0.390 0.000 1.434 54 W HN 1.120 nan 8.180 nan 0.000 0.572 55 T N -1.059 113.535 114.554 0.068 0.000 2.901 55 T HA 0.772 5.144 4.350 0.036 0.000 0.293 55 T C -1.271 173.325 174.700 -0.172 0.000 1.084 55 T CA -0.784 61.259 62.100 -0.096 0.000 1.008 55 T CB 1.948 70.714 68.868 -0.169 0.000 1.170 55 T HN 1.074 nan 8.240 nan 0.000 0.509 56 H N -1.162 117.661 119.070 -0.411 0.000 2.821 56 H HA 0.761 5.339 4.556 0.036 0.000 0.373 56 H C 0.110 175.157 175.328 -0.469 0.000 1.165 56 H CA -0.764 54.793 56.048 -0.818 0.000 1.154 56 H CB 1.020 29.791 29.762 -1.651 0.000 1.765 56 H HN 0.817 nan 8.280 nan 0.000 0.549 57 S N 0.921 116.438 115.700 -0.305 0.000 2.580 57 S HA -0.036 4.456 4.470 0.036 0.000 0.266 57 S C 0.741 175.297 174.600 -0.073 0.000 1.354 57 S CA -0.033 58.058 58.200 -0.182 0.000 1.008 57 S CB 0.648 63.765 63.200 -0.138 0.000 0.898 57 S HN 0.881 nan 8.310 nan 0.000 0.555 58 E N 1.025 121.178 120.200 -0.079 0.000 2.118 58 E HA -0.197 4.175 4.350 0.036 0.000 0.195 58 E C 1.248 177.853 176.600 0.008 0.000 0.992 58 E CA 1.518 57.893 56.400 -0.041 0.000 0.804 58 E CB -0.292 29.372 29.700 -0.060 0.000 0.741 58 E HN 0.913 nan 8.360 nan 0.000 0.458 59 D N -0.745 119.649 120.400 -0.010 0.000 2.349 59 D HA 0.019 4.681 4.640 0.036 0.000 0.224 59 D C 1.272 177.566 176.300 -0.010 0.000 1.029 59 D CA 0.719 54.720 54.000 0.002 0.000 0.879 59 D CB 0.078 40.871 40.800 -0.011 0.000 0.906 59 D HN 0.224 nan 8.370 nan 0.000 0.528 60 G N 0.601 109.375 108.800 -0.044 0.000 2.162 60 G HA2 -0.366 3.616 3.960 0.036 0.000 0.260 60 G HA3 -0.366 3.616 3.960 0.036 0.000 0.260 60 G C 1.004 175.830 174.900 -0.123 0.000 0.976 60 G CA 0.557 45.550 45.100 -0.179 0.000 0.655 60 G HN 0.479 nan 8.290 nan 0.000 0.533 61 K N -0.471 119.876 120.400 -0.089 0.000 2.354 61 K HA 0.140 4.481 4.320 0.036 0.000 0.194 61 K C 0.382 176.983 176.600 0.002 0.000 1.045 61 K CA 0.700 56.977 56.287 -0.016 0.000 1.026 61 K CB 0.612 33.096 32.500 -0.027 0.000 0.866 61 K HN 0.322 nan 8.250 nan 0.000 0.530 62 T N 0.917 115.410 114.554 -0.103 0.000 2.779 62 T HA 0.326 4.697 4.350 0.036 0.000 0.280 62 T C -1.252 173.328 174.700 -0.201 0.000 0.987 62 T CA -0.495 61.566 62.100 -0.064 0.000 0.966 62 T CB 0.730 69.556 68.868 -0.070 0.000 0.933 62 T HN 0.067 nan 8.240 nan 0.000 0.442 63 W N 1.821 123.107 121.300 -0.024 0.000 2.600 63 W HA 0.493 5.176 4.660 0.039 0.000 0.325 63 W C -0.227 176.297 176.519 0.008 0.000 1.034 63 W CA -0.625 56.727 57.345 0.012 0.000 1.226 63 W CB 1.603 31.123 29.460 0.101 0.000 1.379 63 W HN 0.412 nan 8.180 nan 0.000 0.466 64 T N 4.035 118.636 114.554 0.079 0.000 2.815 64 T HA 0.468 4.840 4.350 0.036 0.000 0.289 64 T C -1.001 173.711 174.700 0.020 0.000 1.000 64 T CA -0.542 61.615 62.100 0.094 0.000 0.958 64 T CB 0.294 69.190 68.868 0.045 0.000 0.944 64 T HN -0.019 nan 8.240 nan 0.000 0.442 65 F N 1.871 121.984 119.950 0.270 0.000 2.410 65 F HA 0.390 4.940 4.527 0.039 0.000 0.349 65 F C 1.165 177.081 175.800 0.192 0.000 1.117 65 F CA -0.753 57.426 58.000 0.299 0.000 1.104 65 F CB 1.299 40.458 39.000 0.266 0.000 1.122 65 F HN 0.324 nan 8.300 nan 0.000 0.483 66 T N 5.503 120.248 114.554 0.320 0.000 2.728 66 T HA 0.465 4.836 4.350 0.036 0.000 0.296 66 T C 0.061 174.883 174.700 0.205 0.000 0.940 66 T CA -0.490 61.727 62.100 0.195 0.000 1.013 66 T CB 0.187 69.123 68.868 0.113 0.000 0.912 66 T HN 0.285 nan 8.240 nan 0.000 0.484 67 L N 3.224 124.530 121.223 0.139 0.000 2.379 67 L HA 0.497 4.859 4.340 0.036 0.000 0.269 67 L C 1.156 178.044 176.870 0.030 0.000 1.084 67 L CA -1.185 53.722 54.840 0.111 0.000 0.802 67 L CB 0.744 42.849 42.059 0.077 0.000 1.175 67 L HN 0.455 nan 8.230 nan 0.000 0.448 68 R N 1.149 121.629 120.500 -0.034 0.000 2.758 68 R HA -0.052 4.310 4.340 0.036 0.000 0.263 68 R C -0.007 176.248 176.300 -0.074 0.000 1.010 68 R CA 0.173 56.200 56.100 -0.121 0.000 1.114 68 R CB 0.253 30.352 30.300 -0.335 0.000 0.985 68 R HN 0.687 nan 8.270 nan 0.000 0.439 69 D N -0.109 120.245 120.400 -0.077 0.000 2.479 69 D HA -0.044 4.618 4.640 0.036 0.000 0.218 69 D C 0.087 176.354 176.300 -0.056 0.000 1.177 69 D CA -0.077 53.890 54.000 -0.054 0.000 0.830 69 D CB 0.249 41.026 40.800 -0.038 0.000 1.014 69 D HN 0.569 nan 8.370 nan 0.000 0.503 70 D N -0.187 120.161 120.400 -0.087 0.000 2.469 70 D HA 0.062 4.724 4.640 0.036 0.000 0.215 70 D C -0.048 176.207 176.300 -0.075 0.000 1.154 70 D CA -0.350 53.611 54.000 -0.065 0.000 0.832 70 D CB 0.127 40.896 40.800 -0.053 0.000 1.008 70 D HN -0.014 nan 8.370 nan 0.000 0.506 71 V N 1.140 120.976 119.914 -0.130 0.000 2.465 71 V HA 0.340 4.481 4.120 0.036 0.000 0.279 71 V C 0.199 176.253 176.094 -0.067 0.000 1.045 71 V CA -0.513 61.683 62.300 -0.174 0.000 0.938 71 V CB 1.579 33.124 31.823 -0.464 0.000 0.986 71 V HN -0.022 nan 8.190 nan 0.000 0.467 72 K N 3.654 124.044 120.400 -0.017 0.000 2.259 72 K HA 0.557 4.899 4.320 0.036 0.000 0.252 72 K C -0.548 176.077 176.600 0.042 0.000 0.936 72 K CA -0.625 55.687 56.287 0.043 0.000 0.810 72 K CB 1.949 34.508 32.500 0.099 0.000 1.143 72 K HN 0.387 nan 8.250 nan 0.000 0.427 73 F N 0.744 120.799 119.950 0.176 0.000 2.586 73 F HA -0.150 4.397 4.527 0.034 0.000 0.335 73 F C 2.191 178.074 175.800 0.138 0.000 1.210 73 F CA 0.601 58.707 58.000 0.178 0.000 1.359 73 F CB 0.343 39.450 39.000 0.177 0.000 1.142 73 F HN 0.634 nan 8.300 nan 0.000 0.606 74 S N 0.278 116.182 115.700 0.340 0.000 2.442 74 S HA -0.212 4.279 4.470 0.036 0.000 0.236 74 S C 1.328 176.024 174.600 0.160 0.000 1.007 74 S CA 1.086 59.406 58.200 0.200 0.000 0.965 74 S CB -0.687 62.601 63.200 0.147 0.000 0.773 74 S HN 0.771 nan 8.310 nan 0.000 0.504 75 N N 1.246 120.053 118.700 0.179 0.000 2.398 75 N HA 0.214 4.976 4.740 0.036 0.000 0.188 75 N C 1.256 176.838 175.510 0.120 0.000 1.122 75 N CA 0.777 53.898 53.050 0.119 0.000 0.866 75 N CB -0.502 38.037 38.487 0.086 0.000 0.970 75 N HN 0.652 nan 8.380 nan 0.000 0.462 76 G N -0.516 108.379 108.800 0.159 0.000 2.176 76 G HA2 -0.256 3.726 3.960 0.036 0.000 0.232 76 G HA3 -0.256 3.726 3.960 0.036 0.000 0.232 76 G C -0.477 174.512 174.900 0.150 0.000 0.986 76 G CA -0.048 45.130 45.100 0.131 0.000 0.643 76 G HN 0.484 nan 8.290 nan 0.000 0.522 77 E N 2.113 122.438 120.200 0.209 0.000 2.354 77 E HA 0.380 4.752 4.350 0.036 0.000 0.269 77 E C -2.175 174.631 176.600 0.343 0.000 1.036 77 E CA -1.558 54.982 56.400 0.234 0.000 0.876 77 E CB 1.187 31.004 29.700 0.196 0.000 1.009 77 E HN 0.228 nan 8.360 nan 0.000 0.416 78 P HA -0.007 nan 4.420 nan 0.000 0.275 78 P C -0.950 176.494 177.300 0.240 0.000 1.227 78 P CA -0.122 63.084 63.100 0.176 0.000 0.781 78 P CB 0.370 32.120 31.700 0.083 0.000 0.906 79 F N 4.141 123.997 119.950 -0.156 0.000 2.424 79 F HA 0.344 4.893 4.527 0.037 0.000 0.356 79 F C -0.098 175.614 175.800 -0.146 0.000 1.110 79 F CA 0.276 58.097 58.000 -0.299 0.000 1.161 79 F CB 0.357 38.956 39.000 -0.667 0.000 1.115 79 F HN 0.311 nan 8.300 nan 0.000 0.507 80 D N 3.873 123.831 120.400 -0.736 0.000 2.752 80 D HA 0.408 5.070 4.640 0.036 0.000 0.313 80 D C 0.297 176.206 176.300 -0.653 0.000 1.225 80 D CA -0.246 53.391 54.000 -0.605 0.000 0.976 80 D CB 0.855 41.514 40.800 -0.236 0.000 1.443 80 D HN 0.502 nan 8.370 nan 0.000 0.515 81 A N -0.294 122.311 122.820 -0.357 0.000 1.940 81 A HA -0.185 4.157 4.320 0.036 0.000 0.219 81 A C 1.795 179.306 177.584 -0.121 0.000 1.176 81 A CA 1.489 53.394 52.037 -0.220 0.000 0.631 81 A CB -0.757 18.190 19.000 -0.089 0.000 0.814 81 A HN 0.537 nan 8.150 nan 0.000 0.446 82 E N -0.107 120.038 120.200 -0.092 0.000 2.077 82 E HA -0.120 4.252 4.350 0.036 0.000 0.193 82 E C 2.374 178.984 176.600 0.015 0.000 0.989 82 E CA 1.223 57.613 56.400 -0.017 0.000 0.800 82 E CB -0.493 29.199 29.700 -0.014 0.000 0.746 82 E HN 0.544 nan 8.360 nan 0.000 0.452 83 A N 1.208 124.010 122.820 -0.030 0.000 1.902 83 A HA -0.104 4.237 4.320 0.036 0.000 0.217 83 A C 2.405 180.114 177.584 0.208 0.000 1.181 83 A CA 2.118 54.208 52.037 0.088 0.000 0.623 83 A CB -0.580 18.546 19.000 0.209 0.000 0.818 83 A HN 0.278 nan 8.150 nan 0.000 0.443 84 A N -0.088 122.740 122.820 0.014 0.000 1.877 84 A HA 0.154 4.496 4.320 0.036 0.000 0.216 84 A C 2.524 180.444 177.584 0.560 0.000 1.186 84 A CA 2.149 54.326 52.037 0.235 0.000 0.620 84 A CB -1.086 17.832 19.000 -0.136 0.000 0.822 84 A HN 1.089 nan 8.150 nan 0.000 0.443 85 A N -0.561 122.462 122.820 0.337 0.000 1.933 85 A HA -0.167 4.174 4.320 0.036 0.000 0.218 85 A C 1.951 179.768 177.584 0.388 0.000 1.175 85 A CA 1.723 53.969 52.037 0.348 0.000 0.628 85 A CB -0.449 18.653 19.000 0.170 0.000 0.814 85 A HN 0.479 nan 8.150 nan 0.000 0.444 86 E N 0.397 120.800 120.200 0.337 0.000 2.085 86 E HA -0.171 4.201 4.350 0.036 0.000 0.194 86 E C 1.806 178.756 176.600 0.584 0.000 0.994 86 E CA 1.016 57.652 56.400 0.393 0.000 0.801 86 E CB -0.475 29.368 29.700 0.238 0.000 0.743 86 E HN 0.650 nan 8.360 nan 0.000 0.453 87 N N -0.064 119.006 118.700 0.617 0.000 2.084 87 N HA -0.136 4.625 4.740 0.036 0.000 0.190 87 N C 1.928 177.506 175.510 0.112 0.000 1.030 87 N CA 0.949 54.287 53.050 0.480 0.000 0.849 87 N CB -0.312 38.505 38.487 0.550 0.000 1.012 87 N HN 0.109 nan 8.380 nan 0.000 0.423 88 F N 1.575 121.668 119.950 0.237 0.000 2.134 88 F HA -0.079 4.473 4.527 0.041 0.000 0.299 88 F C 2.725 178.581 175.800 0.093 0.000 1.097 88 F CA 0.971 59.069 58.000 0.163 0.000 1.264 88 F CB -0.284 38.829 39.000 0.188 0.000 1.001 88 F HN -0.007 nan 8.300 nan 0.000 0.479 89 R N 0.672 121.359 120.500 0.310 0.000 2.083 89 R HA -0.187 4.175 4.340 0.036 0.000 0.237 89 R C 2.331 178.689 176.300 0.096 0.000 1.137 89 R CA 1.462 57.680 56.100 0.197 0.000 0.951 89 R CB -0.573 29.854 30.300 0.212 0.000 0.851 89 R HN 0.257 nan 8.270 nan 0.000 0.434 90 A N 0.398 123.246 122.820 0.046 0.000 1.908 90 A HA -0.115 4.227 4.320 0.036 0.000 0.218 90 A C 2.299 179.767 177.584 -0.193 0.000 1.181 90 A CA 1.716 53.672 52.037 -0.135 0.000 0.627 90 A CB -0.587 18.177 19.000 -0.393 0.000 0.818 90 A HN 0.248 nan 8.150 nan 0.000 0.445 91 V N 0.037 119.750 119.914 -0.336 0.000 2.261 91 V HA -0.248 3.894 4.120 0.036 0.000 0.246 91 V C 2.532 178.552 176.094 -0.124 0.000 1.047 91 V CA 1.998 64.057 62.300 -0.402 0.000 1.015 91 V CB -0.740 30.678 31.823 -0.676 0.000 0.642 91 V HN 0.576 nan 8.190 nan 0.000 0.446 92 L N -0.214 121.008 121.223 -0.001 0.000 2.201 92 L HA -0.149 4.213 4.340 0.036 0.000 0.212 92 L C 2.208 179.113 176.870 0.059 0.000 1.105 92 L CA 1.069 55.954 54.840 0.074 0.000 0.775 92 L CB -0.724 41.412 42.059 0.129 0.000 0.913 92 L HN 0.335 nan 8.230 nan 0.000 0.440 93 D N -0.051 120.371 120.400 0.038 0.000 2.221 93 D HA -0.209 4.453 4.640 0.036 0.000 0.204 93 D C 1.447 177.766 176.300 0.031 0.000 0.982 93 D CA 1.188 55.208 54.000 0.033 0.000 0.857 93 D CB -0.212 40.601 40.800 0.021 0.000 0.934 93 D HN 0.361 nan 8.370 nan 0.000 0.475 94 N N -0.012 118.715 118.700 0.044 0.000 2.328 94 N HA 0.046 4.808 4.740 0.036 0.000 0.247 94 N C 1.423 177.007 175.510 0.124 0.000 1.165 94 N CA -0.255 52.832 53.050 0.061 0.000 0.873 94 N CB 0.334 38.860 38.487 0.066 0.000 1.125 94 N HN -0.058 nan 8.380 nan 0.000 0.513 95 R N 0.506 121.072 120.500 0.111 0.000 2.140 95 R HA -0.214 4.148 4.340 0.036 0.000 0.250 95 R C 1.818 178.176 176.300 0.096 0.000 1.150 95 R CA 1.785 57.962 56.100 0.128 0.000 0.966 95 R CB 0.032 30.383 30.300 0.084 0.000 0.869 95 R HN 0.396 nan 8.270 nan 0.000 0.445 96 Q N -0.395 119.426 119.800 0.036 0.000 2.077 96 Q HA -0.195 4.167 4.340 0.036 0.000 0.206 96 Q C 2.051 178.018 176.000 -0.055 0.000 0.989 96 Q CA 1.884 57.685 55.803 -0.003 0.000 0.853 96 Q CB -0.295 28.433 28.738 -0.017 0.000 0.907 96 Q HN 0.527 nan 8.270 nan 0.000 0.418 97 A N 0.327 123.062 122.820 -0.143 0.000 2.178 97 A HA -0.149 4.193 4.320 0.036 0.000 0.218 97 A C 1.100 178.404 177.584 -0.465 0.000 1.157 97 A CA 1.025 52.869 52.037 -0.323 0.000 0.689 97 A CB -0.285 18.444 19.000 -0.451 0.000 0.787 97 A HN 0.355 nan 8.150 nan 0.000 0.465 98 H N -1.893 117.154 119.070 -0.038 0.000 2.674 98 H HA 0.396 4.972 4.556 0.034 0.000 0.274 98 H C 1.795 177.123 175.328 0.000 0.000 1.121 98 H CA 0.484 56.507 56.048 -0.042 0.000 1.132 98 H CB 0.135 29.848 29.762 -0.081 0.000 1.606 98 H HN 0.491 nan 8.280 nan 0.000 0.558 99 A N 0.972 123.836 122.820 0.073 0.000 2.172 99 A HA 0.066 4.408 4.320 0.036 0.000 0.216 99 A C 2.440 180.071 177.584 0.079 0.000 1.154 99 A CA 1.056 53.136 52.037 0.072 0.000 0.701 99 A CB -0.261 18.764 19.000 0.041 0.000 0.789 99 A HN 0.351 nan 8.150 nan 0.000 0.465 100 A N -0.889 121.976 122.820 0.075 0.000 2.067 100 A HA 0.182 4.524 4.320 0.036 0.000 0.219 100 A C 1.063 178.710 177.584 0.104 0.000 1.158 100 A CA 0.490 52.582 52.037 0.092 0.000 0.661 100 A CB -0.252 18.791 19.000 0.072 0.000 0.801 100 A HN 0.477 nan 8.150 nan 0.000 0.452 101 L N 0.257 121.551 121.223 0.117 0.000 2.257 101 L HA 0.228 4.590 4.340 0.036 0.000 0.290 101 L C 1.179 178.137 176.870 0.146 0.000 1.044 101 L CA -0.318 54.611 54.840 0.148 0.000 0.810 101 L CB 1.362 43.519 42.059 0.163 0.000 1.193 101 L HN 0.395 nan 8.230 nan 0.000 0.425 102 E N 3.322 123.599 120.200 0.129 0.000 2.153 102 E HA -0.224 4.148 4.350 0.036 0.000 0.194 102 E C 1.721 178.297 176.600 -0.041 0.000 0.988 102 E CA 1.398 57.787 56.400 -0.018 0.000 0.811 102 E CB 0.032 29.637 29.700 -0.158 0.000 0.746 102 E HN 0.755 nan 8.360 nan 0.000 0.466 103 L N -0.302 121.012 121.223 0.151 0.000 2.042 103 L HA -0.208 4.154 4.340 0.036 0.000 0.210 103 L C 2.239 179.222 176.870 0.189 0.000 1.076 103 L CA 1.536 56.492 54.840 0.192 0.000 0.749 103 L CB -0.544 41.687 42.059 0.286 0.000 0.893 103 L HN 0.323 nan 8.230 nan 0.000 0.432 104 A N -0.301 122.699 122.820 0.300 0.000 2.019 104 A HA -0.208 4.134 4.320 0.036 0.000 0.219 104 A C 1.804 179.477 177.584 0.148 0.000 1.164 104 A CA 1.758 53.974 52.037 0.299 0.000 0.644 104 A CB -0.482 18.664 19.000 0.245 0.000 0.805 104 A HN 0.535 nan 8.150 nan 0.000 0.449 105 N N -0.506 118.240 118.700 0.077 0.000 2.354 105 N HA -0.057 4.705 4.740 0.036 0.000 0.179 105 N C 1.627 177.123 175.510 -0.024 0.000 1.021 105 N CA 0.785 53.846 53.050 0.018 0.000 0.887 105 N CB -0.160 38.317 38.487 -0.017 0.000 0.974 105 N HN 0.484 nan 8.380 nan 0.000 0.437 106 Q N 0.286 120.054 119.800 -0.054 0.000 2.302 106 Q HA 0.188 4.550 4.340 0.036 0.000 0.202 106 Q C 0.450 176.410 176.000 -0.068 0.000 0.936 106 Q CA 0.126 55.868 55.803 -0.102 0.000 0.886 106 Q CB 0.623 29.248 28.738 -0.188 0.000 0.986 106 Q HN 0.378 nan 8.270 nan 0.000 0.487 107 I N 1.260 121.816 120.570 -0.023 0.000 2.452 107 I HA -0.046 4.145 4.170 0.036 0.000 0.287 107 I C 1.244 177.358 176.117 -0.006 0.000 1.079 107 I CA -0.207 61.076 61.300 -0.029 0.000 1.387 107 I CB 1.140 39.150 38.000 0.016 0.000 1.404 107 I HN -0.179 nan 8.210 nan 0.000 0.522 108 V N 4.369 124.269 119.914 -0.023 0.000 2.672 108 V HA 0.052 4.194 4.120 0.036 0.000 0.242 108 V C 0.218 176.314 176.094 0.004 0.000 1.059 108 V CA 1.033 63.329 62.300 -0.007 0.000 1.081 108 V CB -0.078 31.736 31.823 -0.016 0.000 0.752 108 V HN 0.849 nan 8.190 nan 0.000 0.472 109 D N -1.592 118.803 120.400 -0.008 0.000 2.837 109 D HA 0.519 5.181 4.640 0.036 0.000 0.220 109 D C -1.512 174.774 176.300 -0.024 0.000 1.236 109 D CA -0.156 53.843 54.000 -0.000 0.000 0.838 109 D CB 2.496 43.297 40.800 0.002 0.000 1.647 109 D HN -0.104 nan 8.370 nan 0.000 0.486 110 V N 2.726 122.633 119.914 -0.010 0.000 2.588 110 V HA 0.668 4.809 4.120 0.036 0.000 0.304 110 V C -0.657 175.442 176.094 0.009 0.000 1.042 110 V CA -0.713 61.559 62.300 -0.047 0.000 0.877 110 V CB 1.745 33.507 31.823 -0.102 0.000 0.996 110 V HN 0.555 nan 8.190 nan 0.000 0.425 111 K N 3.234 123.639 120.400 0.007 0.000 2.535 111 K HA 0.777 5.119 4.320 0.036 0.000 0.250 111 K C -0.590 176.029 176.600 0.031 0.000 0.948 111 K CA -0.196 56.107 56.287 0.027 0.000 0.796 111 K CB 1.960 34.474 32.500 0.022 0.000 1.216 111 K HN 0.882 nan 8.250 nan 0.000 0.432 112 A N 5.541 128.380 122.820 0.033 0.000 2.350 112 A HA 0.294 4.636 4.320 0.036 0.000 0.293 112 A C 0.524 178.119 177.584 0.018 0.000 1.231 112 A CA -0.306 51.745 52.037 0.023 0.000 0.883 112 A CB -0.298 18.709 19.000 0.012 0.000 1.133 112 A HN 0.892 nan 8.150 nan 0.000 0.533 113 L N 2.200 123.436 121.223 0.021 0.000 2.270 113 L HA 0.070 4.432 4.340 0.036 0.000 0.210 113 L C 1.226 178.101 176.870 0.007 0.000 1.104 113 L CA 1.103 55.952 54.840 0.016 0.000 0.804 113 L CB -0.379 41.692 42.059 0.021 0.000 0.937 113 L HN 0.879 nan 8.230 nan 0.000 0.450 114 S N -2.668 113.034 115.700 0.003 0.000 2.703 114 S HA 0.262 4.753 4.470 0.036 0.000 0.273 114 S C 0.163 174.752 174.600 -0.020 0.000 1.178 114 S CA -0.902 57.295 58.200 -0.006 0.000 0.838 114 S CB 1.501 64.699 63.200 -0.003 0.000 1.178 114 S HN -0.104 nan 8.310 nan 0.000 0.494 115 K N 0.504 120.888 120.400 -0.028 0.000 2.209 115 K HA -0.029 4.313 4.320 0.036 0.000 0.204 115 K C 1.397 177.955 176.600 -0.069 0.000 1.048 115 K CA 1.797 58.052 56.287 -0.053 0.000 0.940 115 K CB -0.413 32.059 32.500 -0.046 0.000 0.729 115 K HN 0.817 nan 8.250 nan 0.000 0.451 116 T N -2.187 112.346 114.554 -0.035 0.000 3.040 116 T HA 0.160 4.532 4.350 0.036 0.000 0.266 116 T C 0.095 174.808 174.700 0.021 0.000 1.005 116 T CA -0.413 61.675 62.100 -0.019 0.000 0.906 116 T CB 0.441 69.305 68.868 -0.007 0.000 1.082 116 T HN -0.154 nan 8.240 nan 0.000 0.531 117 E N 1.415 121.630 120.200 0.025 0.000 2.185 117 E HA 0.521 4.892 4.350 0.036 0.000 0.261 117 E C -1.660 174.986 176.600 0.076 0.000 0.879 117 E CA -0.672 55.768 56.400 0.066 0.000 0.756 117 E CB 2.550 32.278 29.700 0.047 0.000 1.152 117 E HN 0.236 nan 8.360 nan 0.000 0.416 118 L N 2.706 124.016 121.223 0.145 0.000 2.325 118 L HA 0.323 4.684 4.340 0.036 0.000 0.281 118 L C -0.671 176.329 176.870 0.216 0.000 1.004 118 L CA -0.267 54.660 54.840 0.144 0.000 0.823 118 L CB 1.658 43.802 42.059 0.142 0.000 1.236 118 L HN 0.407 nan 8.230 nan 0.000 0.415 119 Q N 5.057 124.935 119.800 0.130 0.000 2.316 119 Q HA 0.605 4.967 4.340 0.036 0.000 0.264 119 Q C -1.563 174.487 176.000 0.083 0.000 0.987 119 Q CA -0.576 55.309 55.803 0.135 0.000 0.852 119 Q CB 1.577 30.359 28.738 0.074 0.000 1.287 119 Q HN 0.758 nan 8.270 nan 0.000 0.448 120 I N 2.873 123.528 120.570 0.141 0.000 2.436 120 I HA 0.317 4.509 4.170 0.036 0.000 0.289 120 I C -0.647 175.494 176.117 0.041 0.000 1.010 120 I CA -0.611 60.706 61.300 0.027 0.000 1.098 120 I CB 2.346 40.374 38.000 0.048 0.000 1.266 120 I HN 0.527 nan 8.210 nan 0.000 0.434 121 T N 7.026 121.567 114.554 -0.023 0.000 2.779 121 T HA 0.609 4.981 4.350 0.036 0.000 0.280 121 T C -0.149 174.510 174.700 -0.067 0.000 0.987 121 T CA -0.464 61.624 62.100 -0.020 0.000 0.966 121 T CB 1.053 69.913 68.868 -0.013 0.000 0.933 121 T HN 0.258 nan 8.240 nan 0.000 0.442 122 L N 2.581 123.759 121.223 -0.075 0.000 2.334 122 L HA 0.510 4.872 4.340 0.036 0.000 0.270 122 L C 1.488 178.321 176.870 -0.062 0.000 1.018 122 L CA -1.040 53.734 54.840 -0.110 0.000 0.811 122 L CB 1.309 43.262 42.059 -0.177 0.000 1.271 122 L HN 0.577 nan 8.230 nan 0.000 0.443 123 K N 0.228 120.589 120.400 -0.064 0.000 2.283 123 K HA -0.028 4.314 4.320 0.036 0.000 0.202 123 K C 0.418 176.996 176.600 -0.035 0.000 1.048 123 K CA 0.824 57.084 56.287 -0.044 0.000 0.948 123 K CB 0.102 32.574 32.500 -0.048 0.000 0.742 123 K HN 0.717 nan 8.250 nan 0.000 0.458 124 S N -1.257 114.420 115.700 -0.038 0.000 2.615 124 S HA 0.568 5.060 4.470 0.036 0.000 0.269 124 S C -1.213 173.380 174.600 -0.011 0.000 1.161 124 S CA -1.045 57.145 58.200 -0.016 0.000 0.817 124 S CB 1.546 64.742 63.200 -0.007 0.000 1.131 124 S HN 0.062 nan 8.310 nan 0.000 0.467 125 A N 1.316 124.128 122.820 -0.013 0.000 2.491 125 A HA 0.514 4.856 4.320 0.036 0.000 0.261 125 A C -0.788 176.793 177.584 -0.004 0.000 1.101 125 A CA 0.110 52.086 52.037 -0.103 0.000 0.772 125 A CB -0.804 18.162 19.000 -0.056 0.000 1.043 125 A HN 1.395 nan 8.150 nan 0.000 0.501 126 Y N 3.553 123.692 120.300 -0.268 0.000 2.517 126 Y HA 0.374 4.945 4.550 0.035 0.000 0.346 126 Y C -0.216 175.599 175.900 -0.142 0.000 1.113 126 Y CA -1.044 56.975 58.100 -0.135 0.000 1.295 126 Y CB -0.160 38.244 38.460 -0.094 0.000 1.094 126 Y HN 0.700 nan 8.280 nan 0.000 0.608 127 Y N 2.699 122.941 120.300 -0.097 0.000 2.333 127 Y HA -0.038 4.534 4.550 0.036 0.000 0.290 127 Y C -0.650 175.056 175.900 -0.322 0.000 1.144 127 Y CA 0.935 58.991 58.100 -0.073 0.000 1.228 127 Y CB -0.855 37.625 38.460 0.034 0.000 0.985 127 Y HN 0.449 nan 8.280 nan 0.000 0.542 128 P HA -0.150 nan 4.420 nan 0.000 0.239 128 P C 1.263 178.173 177.300 -0.649 0.000 1.184 128 P CA 0.855 63.481 63.100 -0.791 0.000 0.760 128 P CB -0.535 30.313 31.700 -1.420 0.000 0.884 129 F N 0.806 120.338 119.950 -0.697 0.000 2.106 129 F HA -0.316 4.233 4.527 0.037 0.000 0.299 129 F C 1.659 177.240 175.800 -0.365 0.000 1.082 129 F CA 1.553 59.316 58.000 -0.396 0.000 1.244 129 F CB -0.570 38.087 39.000 -0.573 0.000 0.997 129 F HN -0.173 nan 8.300 nan 0.000 0.486 130 L N -0.126 120.762 121.223 -0.559 0.000 2.056 130 L HA -0.221 4.141 4.340 0.036 0.000 0.207 130 L C 2.539 179.197 176.870 -0.354 0.000 1.078 130 L CA 1.479 55.957 54.840 -0.603 0.000 0.749 130 L CB -0.815 41.002 42.059 -0.404 0.000 0.901 130 L HN 0.235 nan 8.230 nan 0.000 0.433 131 Q N -0.185 119.483 119.800 -0.220 0.000 2.170 131 Q HA -0.213 4.149 4.340 0.036 0.000 0.203 131 Q C 2.018 177.970 176.000 -0.081 0.000 0.976 131 Q CA 1.413 57.165 55.803 -0.085 0.000 0.858 131 Q CB -0.002 28.724 28.738 -0.021 0.000 0.907 131 Q HN 0.537 nan 8.270 nan 0.000 0.433 132 E N 0.300 120.453 120.200 -0.079 0.000 2.158 132 E HA -0.086 4.286 4.350 0.036 0.000 0.191 132 E C 1.922 178.514 176.600 -0.014 0.000 0.982 132 E CA 0.450 56.869 56.400 0.032 0.000 0.823 132 E CB 0.046 29.854 29.700 0.180 0.000 0.766 132 E HN 0.344 nan 8.360 nan 0.000 0.468 133 L N 0.668 121.760 121.223 -0.218 0.000 2.191 133 L HA -0.133 4.229 4.340 0.036 0.000 0.212 133 L C 2.383 179.197 176.870 -0.094 0.000 1.103 133 L CA 0.791 55.504 54.840 -0.212 0.000 0.769 133 L CB -0.317 41.452 42.059 -0.483 0.000 0.908 133 L HN 0.125 nan 8.230 nan 0.000 0.438 134 A N -0.435 122.324 122.820 -0.102 0.000 2.206 134 A HA 0.117 4.459 4.320 0.036 0.000 0.211 134 A C 1.158 178.704 177.584 -0.064 0.000 1.158 134 A CA -0.016 51.985 52.037 -0.060 0.000 0.761 134 A CB -0.325 18.663 19.000 -0.019 0.000 0.801 134 A HN 0.226 nan 8.150 nan 0.000 0.473 135 L N -0.403 120.784 121.223 -0.060 0.000 2.499 135 L HA 0.051 4.413 4.340 0.036 0.000 0.281 135 L C -1.224 175.609 176.870 -0.063 0.000 1.234 135 L CA -1.249 53.547 54.840 -0.074 0.000 0.839 135 L CB 0.333 42.367 42.059 -0.042 0.000 1.104 135 L HN 0.075 nan 8.230 nan 0.000 0.500 136 P HA -0.117 nan 4.420 nan 0.000 0.217 136 P C -0.438 176.828 177.300 -0.057 0.000 1.148 136 P CA 1.157 64.226 63.100 -0.051 0.000 0.828 136 P CB 0.273 31.931 31.700 -0.070 0.000 0.783 137 A N -1.830 120.935 122.820 -0.092 0.000 2.587 137 A HA 0.571 4.912 4.320 0.036 0.000 0.293 137 A C -2.477 174.968 177.584 -0.232 0.000 1.087 137 A CA -0.966 50.977 52.037 -0.156 0.000 0.692 137 A CB 0.758 19.694 19.000 -0.107 0.000 1.291 137 A HN -0.157 nan 8.150 nan 0.000 0.407 138 P HA 0.235 nan 4.420 nan 0.000 0.275 138 P C -0.267 176.556 177.300 -0.796 0.000 1.310 138 P CA 0.330 63.051 63.100 -0.632 0.000 0.904 138 P CB -0.008 31.113 31.700 -0.966 0.000 1.381 139 F N 1.242 120.943 119.950 -0.415 0.000 2.871 139 F HA 0.310 4.862 4.527 0.041 0.000 0.317 139 F C 1.217 176.537 175.800 -0.800 0.000 1.193 139 F CA -0.412 57.184 58.000 -0.673 0.000 1.311 139 F CB 0.096 38.794 39.000 -0.502 0.000 1.380 139 F HN -0.319 nan 8.300 nan 0.000 0.557 140 R N -0.299 119.816 120.500 -0.642 0.000 2.919 140 R HA 0.615 4.977 4.340 0.036 0.000 0.260 140 R C -1.411 174.497 176.300 -0.653 0.000 1.067 140 R CA -1.038 54.672 56.100 -0.649 0.000 1.003 140 R CB 1.870 32.096 30.300 -0.124 0.000 1.192 140 R HN 0.015 nan 8.270 nan 0.000 0.488 141 F N 1.250 121.366 119.950 0.276 0.000 2.426 141 F HA 0.472 5.022 4.527 0.038 0.000 0.348 141 F C 0.263 176.413 175.800 0.583 0.000 1.124 141 F CA -0.705 57.562 58.000 0.444 0.000 1.008 141 F CB 1.281 40.617 39.000 0.559 0.000 1.139 141 F HN 0.214 nan 8.300 nan 0.000 0.452 142 I N 2.744 123.612 120.570 0.496 0.000 2.437 142 I HA 0.689 4.881 4.170 0.036 0.000 0.298 142 I C 0.037 176.164 176.117 0.017 0.000 0.984 142 I CA -0.797 60.727 61.300 0.372 0.000 1.214 142 I CB 1.265 39.343 38.000 0.130 0.000 1.365 142 I HN 0.721 nan 8.210 nan 0.000 0.469 143 A N 8.105 130.545 122.820 -0.633 0.000 2.566 143 A HA 0.202 4.544 4.320 0.036 0.000 0.245 143 A C -1.902 175.356 177.584 -0.542 0.000 1.056 143 A CA -0.707 50.599 52.037 -1.218 0.000 0.757 143 A CB -0.484 17.976 19.000 -0.899 0.000 0.979 143 A HN 0.681 nan 8.150 nan 0.000 0.508 144 P HA -0.167 nan 4.420 nan 0.000 0.221 144 P C 1.605 178.493 177.300 -0.686 0.000 1.145 144 P CA 1.704 64.183 63.100 -1.034 0.000 0.795 144 P CB 0.054 31.272 31.700 -0.804 0.000 0.775 145 S N -1.197 114.279 115.700 -0.373 0.000 2.469 145 S HA -0.168 4.323 4.470 0.036 0.000 0.238 145 S C 1.618 176.141 174.600 -0.129 0.000 0.998 145 S CA 0.936 59.011 58.200 -0.209 0.000 0.957 145 S CB -0.870 62.245 63.200 -0.141 0.000 0.764 145 S HN 0.141 nan 8.310 nan 0.000 0.514 146 Q N 0.192 119.935 119.800 -0.094 0.000 2.319 146 Q HA 0.391 4.753 4.340 0.036 0.000 0.202 146 Q C -0.029 176.080 176.000 0.182 0.000 0.896 146 Q CA -0.240 55.582 55.803 0.031 0.000 0.942 146 Q CB -0.248 28.511 28.738 0.034 0.000 1.083 146 Q HN 0.649 nan 8.270 nan 0.000 0.510 147 F N 1.657 121.566 119.950 -0.070 0.000 2.545 147 F HA 0.028 4.576 4.527 0.035 0.000 0.348 147 F C 1.014 176.762 175.800 -0.087 0.000 1.163 147 F CA -0.148 57.817 58.000 -0.058 0.000 1.331 147 F CB 0.630 39.604 39.000 -0.043 0.000 1.138 147 F HN -0.313 nan 8.300 nan 0.000 0.602 148 K N 2.073 122.535 120.400 0.103 0.000 2.253 148 K HA 0.081 4.423 4.320 0.036 0.000 0.277 148 K C -0.196 176.411 176.600 0.013 0.000 1.053 148 K CA -0.504 55.798 56.287 0.025 0.000 0.892 148 K CB 0.732 33.237 32.500 0.007 0.000 1.102 148 K HN 0.568 nan 8.250 nan 0.000 0.469 149 N N 3.193 121.863 118.700 -0.050 0.000 2.705 149 N HA -0.254 4.508 4.740 0.036 0.000 0.255 149 N C -0.705 174.848 175.510 0.072 0.000 1.008 149 N CA 0.911 53.937 53.050 -0.041 0.000 0.742 149 N CB -1.108 37.415 38.487 0.060 0.000 0.906 149 N HN 0.868 nan 8.380 nan 0.000 0.541 150 H N -2.954 116.238 119.070 0.202 0.000 3.080 150 H HA -0.181 4.397 4.556 0.038 0.000 0.254 150 H C -0.365 175.120 175.328 0.260 0.000 1.179 150 H CA 1.581 57.808 56.048 0.299 0.000 1.144 150 H CB -1.271 28.599 29.762 0.180 0.000 1.261 150 H HN 0.608 nan 8.280 nan 0.000 0.333 151 E N -0.433 119.853 120.200 0.144 0.000 2.433 151 E HA 0.371 4.743 4.350 0.036 0.000 0.273 151 E C 1.138 177.525 176.600 -0.355 0.000 0.950 151 E CA 0.195 56.525 56.400 -0.117 0.000 0.796 151 E CB 1.598 31.280 29.700 -0.029 0.000 1.330 151 E HN 0.205 nan 8.360 nan 0.000 0.455 152 T N -3.265 111.036 114.554 -0.422 0.000 2.971 152 T HA 0.034 4.406 4.350 0.036 0.000 0.252 152 T C 1.733 176.357 174.700 -0.126 0.000 1.022 152 T CA 0.121 62.045 62.100 -0.294 0.000 0.980 152 T CB -0.107 68.583 68.868 -0.297 0.000 1.044 152 T HN 0.497 nan 8.240 nan 0.000 0.501 153 M N 0.962 120.508 119.600 -0.090 0.000 2.374 153 M HA 0.201 4.703 4.480 0.036 0.000 0.264 153 M C 0.715 176.991 176.300 -0.040 0.000 1.067 153 M CA 1.246 56.519 55.300 -0.044 0.000 1.103 153 M CB -0.644 31.939 32.600 -0.028 0.000 1.402 153 M HN -0.038 nan 8.290 nan 0.000 0.444 154 N N 1.483 120.158 118.700 -0.041 0.000 2.235 154 N HA 0.361 5.123 4.740 0.036 0.000 0.209 154 N C 0.414 175.907 175.510 -0.028 0.000 1.122 154 N CA 0.892 53.926 53.050 -0.027 0.000 0.845 154 N CB 1.060 39.539 38.487 -0.014 0.000 1.004 154 N HN 0.634 nan 8.380 nan 0.000 0.499 155 G N 0.802 109.577 108.800 -0.041 0.000 2.423 155 G HA2 0.027 4.009 3.960 0.036 0.000 0.684 155 G HA3 0.027 4.009 3.960 0.036 0.000 0.684 155 G C -1.031 173.847 174.900 -0.037 0.000 1.309 155 G CA -0.613 44.466 45.100 -0.035 0.000 0.950 155 G HN 0.194 nan 8.290 nan 0.000 0.587 156 I N -2.984 117.573 120.570 -0.021 0.000 3.264 156 I HA 0.787 4.978 4.170 0.036 0.000 0.315 156 I C 0.595 176.720 176.117 0.014 0.000 1.154 156 I CA -1.458 59.843 61.300 0.003 0.000 0.962 156 I CB 1.812 39.810 38.000 -0.004 0.000 1.265 156 I HN 0.673 nan 8.210 nan 0.000 0.463 157 K N 1.420 121.837 120.400 0.030 0.000 3.134 157 K HA 0.577 4.919 4.320 0.036 0.000 0.164 157 K C 0.406 177.019 176.600 0.021 0.000 1.133 157 K CA -0.066 56.232 56.287 0.018 0.000 1.402 157 K CB -0.259 32.249 32.500 0.014 0.000 1.945 157 K HN 0.712 nan 8.250 nan 0.000 0.482 158 A N 2.663 125.497 122.820 0.023 0.000 2.340 158 A HA 0.247 4.589 4.320 0.036 0.000 0.268 158 A C -2.243 175.378 177.584 0.063 0.000 1.100 158 A CA -1.306 50.747 52.037 0.027 0.000 0.803 158 A CB -0.092 18.918 19.000 0.017 0.000 1.043 158 A HN 0.271 nan 8.150 nan 0.000 0.488 159 P HA 0.162 nan 4.420 nan 0.000 0.231 159 P C -0.818 176.559 177.300 0.129 0.000 1.811 159 P CA 0.079 63.276 63.100 0.163 0.000 1.051 159 P CB -0.264 31.507 31.700 0.118 0.000 1.951 160 I N 1.942 122.617 120.570 0.174 0.000 2.291 160 I HA 0.321 4.512 4.170 0.036 0.000 0.292 160 I C 1.259 177.573 176.117 0.329 0.000 1.064 160 I CA -0.145 61.252 61.300 0.161 0.000 1.269 160 I CB 0.560 38.615 38.000 0.092 0.000 1.418 160 I HN 0.148 nan 8.210 nan 0.000 0.485 161 G N 3.839 112.786 108.800 0.245 0.000 2.753 161 G HA2 0.459 4.441 3.960 0.036 0.000 0.285 161 G HA3 0.459 4.441 3.960 0.036 0.000 0.285 161 G C 0.693 175.869 174.900 0.459 0.000 1.344 161 G CA -0.001 45.347 45.100 0.414 0.000 1.050 161 G HN 0.521 nan 8.290 nan 0.000 0.532 162 T N -2.739 112.038 114.554 0.371 0.000 3.060 162 T HA 0.323 4.695 4.350 0.036 0.000 0.249 162 T C 1.268 176.198 174.700 0.384 0.000 1.079 162 T CA 0.561 62.814 62.100 0.256 0.000 1.013 162 T CB 0.086 68.967 68.868 0.022 0.000 0.975 162 T HN 0.719 nan 8.240 nan 0.000 0.518 163 G N 2.496 111.446 108.800 0.250 0.000 2.653 163 G HA2 0.411 4.393 3.960 0.036 0.000 0.265 163 G HA3 0.411 4.393 3.960 0.036 0.000 0.265 163 G C -1.264 173.453 174.900 -0.305 0.000 1.237 163 G CA -1.189 43.962 45.100 0.086 0.000 0.946 163 G HN 0.104 nan 8.290 nan 0.000 0.522 164 P HA 0.015 nan 4.420 nan 0.000 0.233 164 P C -0.475 176.281 177.300 -0.907 0.000 1.167 164 P CA 0.750 63.147 63.100 -1.172 0.000 0.770 164 P CB 0.258 31.195 31.700 -1.272 0.000 0.837 165 W N 0.011 121.218 121.300 -0.154 0.000 2.761 165 W HA 0.554 5.241 4.660 0.045 0.000 0.340 165 W C -0.153 176.398 176.519 0.054 0.000 1.072 165 W CA -0.763 56.572 57.345 -0.016 0.000 1.215 165 W CB 1.413 30.873 29.460 0.000 0.000 1.420 165 W HN -0.355 nan 8.180 nan 0.000 0.519 166 I N 3.439 124.211 120.570 0.338 0.000 2.465 166 I HA 0.229 4.421 4.170 0.036 0.000 0.291 166 I C -0.773 175.374 176.117 0.051 0.000 1.014 166 I CA -1.266 60.127 61.300 0.156 0.000 1.093 166 I CB 1.581 39.627 38.000 0.077 0.000 1.267 166 I HN 0.093 nan 8.210 nan 0.000 0.431 167 L N 6.359 127.475 121.223 -0.178 0.000 2.363 167 L HA 0.179 4.541 4.340 0.036 0.000 0.286 167 L C 0.962 177.654 176.870 -0.297 0.000 1.106 167 L CA 0.702 55.181 54.840 -0.602 0.000 0.859 167 L CB 0.608 42.299 42.059 -0.613 0.000 1.223 167 L HN 0.736 nan 8.230 nan 0.000 0.446 168 Q N 3.370 123.031 119.800 -0.231 0.000 2.165 168 Q HA 0.085 4.447 4.340 0.036 0.000 0.197 168 Q C 0.025 175.979 176.000 -0.076 0.000 0.952 168 Q CA 0.717 56.464 55.803 -0.093 0.000 0.848 168 Q CB 0.451 29.172 28.738 -0.028 0.000 0.931 168 Q HN 0.775 nan 8.270 nan 0.000 0.470 169 E N -0.280 119.868 120.200 -0.086 0.000 2.366 169 E HA 0.398 4.769 4.350 0.036 0.000 0.278 169 E C -1.663 174.907 176.600 -0.050 0.000 0.923 169 E CA -0.695 55.688 56.400 -0.027 0.000 0.761 169 E CB 2.147 31.892 29.700 0.076 0.000 1.231 169 E HN 0.069 nan 8.360 nan 0.000 0.443 170 S N 2.372 118.027 115.700 -0.076 0.000 2.542 170 S HA 0.511 5.003 4.470 0.036 0.000 0.293 170 S C -1.113 173.355 174.600 -0.219 0.000 1.089 170 S CA -0.849 57.276 58.200 -0.125 0.000 0.961 170 S CB 1.620 64.751 63.200 -0.115 0.000 1.062 170 S HN 0.449 nan 8.310 nan 0.000 0.483 171 K N 2.313 122.448 120.400 -0.441 0.000 2.535 171 K HA 0.465 4.807 4.320 0.036 0.000 0.253 171 K C -1.146 175.253 176.600 -0.335 0.000 0.953 171 K CA -0.458 55.543 56.287 -0.476 0.000 0.863 171 K CB 0.578 32.550 32.500 -0.881 0.000 1.111 171 K HN 0.552 nan 8.250 nan 0.000 0.431 172 L N 4.583 125.694 121.223 -0.186 0.000 2.499 172 L HA 0.031 4.393 4.340 0.036 0.000 0.273 172 L C 0.361 177.174 176.870 -0.095 0.000 1.195 172 L CA 0.056 54.828 54.840 -0.114 0.000 0.882 172 L CB 0.117 42.133 42.059 -0.073 0.000 1.133 172 L HN 0.878 nan 8.230 nan 0.000 0.483 173 N N 1.948 120.614 118.700 -0.057 0.000 2.741 173 N HA -0.214 4.548 4.740 0.036 0.000 0.251 173 N C 0.464 175.961 175.510 -0.021 0.000 1.112 173 N CA 1.269 54.304 53.050 -0.024 0.000 0.750 173 N CB -0.703 37.774 38.487 -0.018 0.000 1.119 173 N HN 0.757 nan 8.380 nan 0.000 0.561 174 Q N -1.602 118.157 119.800 -0.069 0.000 2.546 174 Q HA 0.188 4.550 4.340 0.036 0.000 0.203 174 Q C -0.367 175.686 176.000 0.088 0.000 0.740 174 Q CA 0.469 56.250 55.803 -0.037 0.000 0.879 174 Q CB 0.892 29.518 28.738 -0.187 0.000 1.265 174 Q HN 0.457 nan 8.270 nan 0.000 0.585 175 Y N -1.392 118.940 120.300 0.055 0.000 2.641 175 Y HA 0.562 5.137 4.550 0.042 0.000 0.333 175 Y C -1.970 173.971 175.900 0.069 0.000 1.174 175 Y CA -1.532 56.617 58.100 0.082 0.000 1.057 175 Y CB 0.935 39.437 38.460 0.069 0.000 1.322 175 Y HN -0.194 nan 8.280 nan 0.000 0.457 176 D N 1.346 121.939 120.400 0.323 0.000 2.248 176 D HA 0.615 5.277 4.640 0.036 0.000 0.246 176 D C -1.117 175.369 176.300 0.310 0.000 1.027 176 D CA -0.448 53.673 54.000 0.203 0.000 0.853 176 D CB 2.866 43.712 40.800 0.076 0.000 1.243 176 D HN 0.473 nan 8.370 nan 0.000 0.462 177 V N 2.555 122.548 119.914 0.132 0.000 2.444 177 V HA 0.382 4.524 4.120 0.036 0.000 0.294 177 V C -0.628 175.436 176.094 -0.050 0.000 1.022 177 V CA -0.761 61.615 62.300 0.126 0.000 0.850 177 V CB 0.905 32.783 31.823 0.092 0.000 0.992 177 V HN 0.327 nan 8.190 nan 0.000 0.426 178 F N 4.192 124.186 119.950 0.072 0.000 2.422 178 F HA 0.739 5.264 4.527 -0.003 0.000 0.333 178 F C 0.298 176.205 175.800 0.178 0.000 1.095 178 F CA -0.693 57.358 58.000 0.085 0.000 1.038 178 F CB 1.990 40.972 39.000 -0.030 0.000 1.156 178 F HN 0.404 nan 8.300 nan 0.000 0.483 179 V N 0.543 120.702 119.914 0.409 0.000 2.864 179 V HA 0.614 4.755 4.120 0.036 0.000 0.314 179 V C -0.224 176.059 176.094 0.315 0.000 1.073 179 V CA -1.461 61.054 62.300 0.359 0.000 0.956 179 V CB 1.703 33.619 31.823 0.155 0.000 1.023 179 V HN 0.802 nan 8.190 nan 0.000 0.435 180 R N 2.698 123.228 120.500 0.050 0.000 2.538 180 R HA 0.067 4.429 4.340 0.036 0.000 0.282 180 R C 0.152 176.324 176.300 -0.213 0.000 1.009 180 R CA 0.073 55.924 56.100 -0.414 0.000 1.063 180 R CB 0.151 30.227 30.300 -0.374 0.000 0.945 180 R HN 0.957 nan 8.270 nan 0.000 0.414 181 N N 3.500 122.035 118.700 -0.275 0.000 2.399 181 N HA -0.046 4.716 4.740 0.036 0.000 0.259 181 N C 0.022 175.482 175.510 -0.083 0.000 1.160 181 N CA 0.114 53.094 53.050 -0.116 0.000 0.946 181 N CB 0.937 39.372 38.487 -0.088 0.000 1.156 181 N HN 0.550 nan 8.380 nan 0.000 0.489 182 E N 2.159 122.334 120.200 -0.041 0.000 2.418 182 E HA -0.045 4.326 4.350 0.036 0.000 0.197 182 E C -0.121 176.482 176.600 0.005 0.000 1.026 182 E CA 0.548 56.932 56.400 -0.026 0.000 0.862 182 E CB 0.107 29.797 29.700 -0.016 0.000 0.799 182 E HN 0.565 nan 8.360 nan 0.000 0.518 183 N N 0.321 119.042 118.700 0.035 0.000 2.275 183 N HA -0.031 4.731 4.740 0.036 0.000 0.236 183 N C -0.340 175.222 175.510 0.087 0.000 1.154 183 N CA -0.200 52.881 53.050 0.051 0.000 0.866 183 N CB 0.072 38.594 38.487 0.059 0.000 1.093 183 N HN 0.113 nan 8.380 nan 0.000 0.515 184 Y N 1.945 122.199 120.300 -0.077 0.000 2.511 184 Y HA -0.065 4.510 4.550 0.041 0.000 0.332 184 Y C 1.630 177.456 175.900 -0.122 0.000 1.177 184 Y CA -0.694 57.330 58.100 -0.126 0.000 1.422 184 Y CB 0.402 38.711 38.460 -0.251 0.000 1.271 184 Y HN 0.221 nan 8.280 nan 0.000 0.550 185 W N 4.847 125.677 121.300 -0.783 0.000 2.519 185 W HA 0.180 4.861 4.660 0.034 0.000 0.266 185 W C 0.219 176.274 176.519 -0.774 0.000 1.253 185 W CA 0.635 57.589 57.345 -0.651 0.000 1.274 185 W CB -0.895 28.238 29.460 -0.544 0.000 1.114 185 W HN 0.657 nan 8.180 nan 0.000 0.596 186 G N 0.944 108.445 108.800 -2.164 0.000 3.039 186 G HA2 0.172 4.153 3.960 0.036 0.000 0.159 186 G HA3 0.172 4.153 3.960 0.036 0.000 0.159 186 G C -0.881 173.645 174.900 -0.624 0.000 1.284 186 G CA -0.772 43.323 45.100 -1.675 0.000 0.996 186 G HN 0.080 nan 8.290 nan 0.000 0.592 187 E N 0.855 120.886 120.200 -0.281 0.000 2.070 187 E HA 0.190 4.561 4.350 0.036 0.000 0.282 187 E C -0.231 176.407 176.600 0.062 0.000 1.104 187 E CA -0.135 56.234 56.400 -0.053 0.000 0.876 187 E CB 0.121 29.817 29.700 -0.005 0.000 1.055 187 E HN 0.158 nan 8.360 nan 0.000 0.401 188 K N 5.297 125.710 120.400 0.021 0.000 2.326 188 K HA 0.185 4.527 4.320 0.036 0.000 0.275 188 K C -2.064 174.487 176.600 -0.083 0.000 1.018 188 K CA -1.492 54.762 56.287 -0.054 0.000 0.962 188 K CB 0.444 32.907 32.500 -0.061 0.000 0.953 188 K HN 0.438 nan 8.250 nan 0.000 0.475 189 P HA -0.003 nan 4.420 nan 0.000 0.272 189 P C -0.237 177.049 177.300 -0.023 0.000 1.223 189 P CA -0.054 63.020 63.100 -0.043 0.000 0.784 189 P CB 1.136 32.833 31.700 -0.005 0.000 0.923 190 A N 3.623 126.466 122.820 0.037 0.000 1.929 190 A HA -0.023 4.319 4.320 0.036 0.000 0.216 190 A C 1.301 178.921 177.584 0.061 0.000 1.176 190 A CA 0.838 52.896 52.037 0.035 0.000 0.628 190 A CB -0.674 18.350 19.000 0.039 0.000 0.816 190 A HN 0.487 nan 8.150 nan 0.000 0.444 191 I N 0.786 121.435 120.570 0.131 0.000 2.752 191 I HA -0.029 4.163 4.170 0.036 0.000 0.287 191 I C 1.495 177.746 176.117 0.223 0.000 1.188 191 I CA 0.618 62.037 61.300 0.199 0.000 1.427 191 I CB 0.749 38.922 38.000 0.289 0.000 1.365 191 I HN 0.543 nan 8.210 nan 0.000 0.585 192 K N 4.644 125.157 120.400 0.188 0.000 2.391 192 K HA 0.214 4.555 4.320 0.036 0.000 0.197 192 K C 0.446 177.214 176.600 0.281 0.000 1.087 192 K CA -0.020 56.357 56.287 0.151 0.000 1.012 192 K CB 1.000 33.539 32.500 0.066 0.000 0.925 192 K HN 0.493 nan 8.250 nan 0.000 0.547 193 K N 1.187 121.744 120.400 0.263 0.000 2.525 193 K HA 0.396 4.737 4.320 0.036 0.000 0.254 193 K C -1.797 174.793 176.600 -0.016 0.000 0.934 193 K CA -0.666 55.725 56.287 0.174 0.000 0.802 193 K CB 1.805 34.352 32.500 0.079 0.000 1.295 193 K HN 0.097 nan 8.250 nan 0.000 0.433 194 I N 2.988 123.475 120.570 -0.137 0.000 2.439 194 I HA 0.220 4.412 4.170 0.036 0.000 0.285 194 I C -0.652 175.375 176.117 -0.150 0.000 1.021 194 I CA -0.706 60.382 61.300 -0.355 0.000 1.091 194 I CB 2.249 39.743 38.000 -0.843 0.000 1.242 194 I HN 0.483 nan 8.210 nan 0.000 0.439 195 T N 5.897 120.336 114.554 -0.192 0.000 2.795 195 T HA 0.504 4.876 4.350 0.036 0.000 0.282 195 T C -0.540 174.055 174.700 -0.174 0.000 0.980 195 T CA -0.203 61.862 62.100 -0.059 0.000 1.012 195 T CB 0.571 69.384 68.868 -0.092 0.000 0.936 195 T HN 0.112 nan 8.240 nan 0.000 0.457 196 F N 2.865 122.862 119.950 0.078 0.000 2.308 196 F HA 0.333 4.916 4.527 0.093 0.000 0.370 196 F C 1.027 176.917 175.800 0.150 0.000 1.100 196 F CA -0.996 57.060 58.000 0.094 0.000 1.108 196 F CB 0.254 39.304 39.000 0.083 0.000 1.293 196 F HN 0.482 nan 8.300 nan 0.000 0.478 197 N N 1.884 120.715 118.700 0.219 0.000 2.483 197 N HA 0.210 4.972 4.740 0.036 0.000 0.264 197 N C -0.861 174.781 175.510 0.220 0.000 1.197 197 N CA -0.328 52.848 53.050 0.210 0.000 0.927 197 N CB 1.212 39.772 38.487 0.122 0.000 1.065 197 N HN 0.197 nan 8.380 nan 0.000 0.461 198 V N 4.842 124.872 119.914 0.193 0.000 2.353 198 V HA 0.265 4.407 4.120 0.036 0.000 0.264 198 V C 0.172 176.324 176.094 0.096 0.000 1.049 198 V CA -0.078 62.317 62.300 0.158 0.000 0.896 198 V CB -0.171 31.725 31.823 0.120 0.000 1.025 198 V HN 0.568 nan 8.190 nan 0.000 0.475 199 I N 8.011 128.625 120.570 0.073 0.000 2.542 199 I HA 0.290 4.481 4.170 0.036 0.000 0.278 199 I C -1.578 174.535 176.117 -0.007 0.000 1.069 199 I CA -1.499 59.820 61.300 0.032 0.000 1.100 199 I CB 2.637 40.658 38.000 0.034 0.000 1.204 199 I HN 0.392 nan 8.210 nan 0.000 0.470 200 P HA -0.126 nan 4.420 nan 0.000 0.219 200 P C 0.265 177.530 177.300 -0.058 0.000 1.150 200 P CA 1.144 64.221 63.100 -0.039 0.000 0.814 200 P CB 0.334 32.020 31.700 -0.023 0.000 0.787 201 D N 0.483 120.857 120.400 -0.043 0.000 2.277 201 D HA 0.070 4.732 4.640 0.036 0.000 0.249 201 D C -1.322 174.943 176.300 -0.059 0.000 1.134 201 D CA -2.121 51.850 54.000 -0.049 0.000 0.863 201 D CB 1.922 42.703 40.800 -0.033 0.000 1.143 201 D HN -0.005 nan 8.370 nan 0.000 0.458 202 P HA -0.102 nan 4.420 nan 0.000 0.220 202 P C 1.204 178.466 177.300 -0.064 0.000 1.148 202 P CA 0.880 63.926 63.100 -0.090 0.000 0.803 202 P CB 0.311 31.944 31.700 -0.111 0.000 0.782 203 T N -0.470 114.051 114.554 -0.055 0.000 2.812 203 T HA -0.072 4.300 4.350 0.036 0.000 0.264 203 T C 1.837 176.531 174.700 -0.010 0.000 1.042 203 T CA 1.933 64.008 62.100 -0.041 0.000 1.140 203 T CB -1.090 67.752 68.868 -0.043 0.000 0.870 203 T HN 0.193 nan 8.240 nan 0.000 0.445 204 T N 1.874 116.422 114.554 -0.010 0.000 2.788 204 T HA -0.051 4.321 4.350 0.036 0.000 0.268 204 T C 2.116 176.829 174.700 0.021 0.000 1.044 204 T CA 0.884 62.988 62.100 0.006 0.000 1.139 204 T CB -0.135 68.734 68.868 0.000 0.000 0.867 204 T HN 0.308 nan 8.240 nan 0.000 0.454 205 R N 0.752 121.257 120.500 0.008 0.000 2.083 205 R HA -0.041 4.321 4.340 0.036 0.000 0.237 205 R C 2.846 179.190 176.300 0.073 0.000 1.137 205 R CA 1.435 57.548 56.100 0.021 0.000 0.951 205 R CB -0.527 29.756 30.300 -0.027 0.000 0.851 205 R HN 0.393 nan 8.270 nan 0.000 0.434 206 A N 0.397 123.267 122.820 0.084 0.000 1.902 206 A HA -0.127 4.215 4.320 0.036 0.000 0.217 206 A C 2.316 180.048 177.584 0.247 0.000 1.181 206 A CA 1.515 53.681 52.037 0.214 0.000 0.623 206 A CB -0.528 18.560 19.000 0.146 0.000 0.818 206 A HN 0.152 nan 8.150 nan 0.000 0.443 207 V N -0.134 119.862 119.914 0.137 0.000 2.343 207 V HA -0.237 3.905 4.120 0.036 0.000 0.247 207 V C 3.033 179.178 176.094 0.086 0.000 1.051 207 V CA 1.824 64.190 62.300 0.110 0.000 1.036 207 V CB -1.270 30.590 31.823 0.062 0.000 0.654 207 V HN 0.615 nan 8.190 nan 0.000 0.451 208 A N -0.346 122.519 122.820 0.077 0.000 1.940 208 A HA -0.254 4.088 4.320 0.036 0.000 0.219 208 A C 2.099 179.713 177.584 0.049 0.000 1.176 208 A CA 2.097 54.166 52.037 0.053 0.000 0.631 208 A CB -0.682 18.348 19.000 0.050 0.000 0.814 208 A HN 0.557 nan 8.150 nan 0.000 0.446 209 F N 0.850 120.759 119.950 -0.069 0.000 2.084 209 F HA -0.126 4.422 4.527 0.034 0.000 0.296 209 F C 2.178 177.873 175.800 -0.174 0.000 1.111 209 F CA 2.140 60.048 58.000 -0.154 0.000 1.224 209 F CB -0.418 38.424 39.000 -0.264 0.000 0.991 209 F HN 0.348 nan 8.300 nan 0.000 0.471 210 E N -0.456 119.675 120.200 -0.115 0.000 2.070 210 E HA -0.213 4.159 4.350 0.036 0.000 0.197 210 E C 2.040 178.583 176.600 -0.095 0.000 1.004 210 E CA 2.140 58.471 56.400 -0.116 0.000 0.805 210 E CB -0.320 29.465 29.700 0.140 0.000 0.744 210 E HN 0.453 nan 8.360 nan 0.000 0.451 211 T N -0.193 114.324 114.554 -0.061 0.000 2.837 211 T HA 0.078 4.450 4.350 0.036 0.000 0.248 211 T C 0.956 175.607 174.700 -0.082 0.000 1.033 211 T CA 0.742 62.815 62.100 -0.044 0.000 1.150 211 T CB -0.200 68.662 68.868 -0.010 0.000 0.865 211 T HN 0.232 nan 8.240 nan 0.000 0.425 212 G N 0.704 109.453 108.800 -0.086 0.000 2.543 212 G HA2 0.345 4.327 3.960 0.036 0.000 0.267 212 G HA3 0.345 4.327 3.960 0.036 0.000 0.267 212 G C -0.800 174.038 174.900 -0.103 0.000 1.406 212 G CA -0.345 44.710 45.100 -0.075 0.000 1.048 212 G HN 0.265 nan 8.290 nan 0.000 0.548 213 D N -0.270 120.086 120.400 -0.073 0.000 3.057 213 D HA 0.242 4.904 4.640 0.036 0.000 0.246 213 D C -0.131 176.130 176.300 -0.064 0.000 1.238 213 D CA -0.250 53.706 54.000 -0.074 0.000 0.949 213 D CB -0.824 39.941 40.800 -0.057 0.000 1.086 213 D HN 0.131 nan 8.370 nan 0.000 0.487 214 I N 1.007 121.534 120.570 -0.072 0.000 2.406 214 I HA 0.193 4.385 4.170 0.036 0.000 0.290 214 I C 0.940 177.058 176.117 0.003 0.000 0.999 214 I CA -0.649 60.643 61.300 -0.012 0.000 1.124 214 I CB 2.040 40.073 38.000 0.055 0.000 1.289 214 I HN -0.045 nan 8.210 nan 0.000 0.441 215 D N 5.833 126.262 120.400 0.047 0.000 2.240 215 D HA 0.132 4.794 4.640 0.036 0.000 0.206 215 D C 0.183 176.639 176.300 0.261 0.000 0.963 215 D CA 1.086 55.136 54.000 0.082 0.000 0.863 215 D CB 0.724 41.549 40.800 0.041 0.000 0.973 215 D HN 0.407 nan 8.370 nan 0.000 0.501 216 L N -2.506 118.870 121.223 0.256 0.000 2.622 216 L HA 0.530 4.892 4.340 0.036 0.000 0.258 216 L C -1.974 174.925 176.870 0.049 0.000 0.996 216 L CA -0.994 53.968 54.840 0.203 0.000 0.858 216 L CB 1.965 44.137 42.059 0.188 0.000 1.449 216 L HN -0.312 nan 8.230 nan 0.000 0.411 217 L N 1.974 123.114 121.223 -0.138 0.000 2.388 217 L HA 0.738 5.100 4.340 0.036 0.000 0.264 217 L C -1.337 175.518 176.870 -0.025 0.000 0.998 217 L CA -0.721 54.011 54.840 -0.180 0.000 0.817 217 L CB 2.261 44.151 42.059 -0.282 0.000 1.338 217 L HN 0.797 nan 8.230 nan 0.000 0.414 218 Y N -0.169 120.127 120.300 -0.006 0.000 2.609 218 Y HA 0.951 5.523 4.550 0.037 0.000 0.336 218 Y C -0.204 175.655 175.900 -0.069 0.000 1.129 218 Y CA -0.824 57.279 58.100 0.005 0.000 1.040 218 Y CB 1.766 40.265 38.460 0.065 0.000 1.310 218 Y HN 0.757 nan 8.280 nan 0.000 0.460 219 G N 1.221 110.116 108.800 0.159 0.000 2.356 219 G HA2 0.291 4.273 3.960 0.036 0.000 0.288 219 G HA3 0.291 4.273 3.960 0.036 0.000 0.288 219 G C -1.863 173.094 174.900 0.096 0.000 1.302 219 G CA -0.718 44.422 45.100 0.067 0.000 0.887 219 G HN 1.136 nan 8.290 nan 0.000 0.521 220 N N -0.533 118.229 118.700 0.103 0.000 2.431 220 N HA 0.427 5.188 4.740 0.036 0.000 0.289 220 N C 1.021 176.498 175.510 -0.055 0.000 1.277 220 N CA 0.338 53.408 53.050 0.034 0.000 0.972 220 N CB 0.262 38.798 38.487 0.082 0.000 1.143 220 N HN 0.573 nan 8.380 nan 0.000 0.578 221 E N -0.982 119.181 120.200 -0.061 0.000 2.085 221 E HA -0.053 4.319 4.350 0.036 0.000 0.194 221 E C 1.860 178.408 176.600 -0.087 0.000 0.994 221 E CA 1.757 58.112 56.400 -0.075 0.000 0.801 221 E CB -0.880 28.784 29.700 -0.061 0.000 0.743 221 E HN 0.765 nan 8.360 nan 0.000 0.453 222 G N 0.229 108.980 108.800 -0.082 0.000 2.448 222 G HA2 -0.180 3.802 3.960 0.036 0.000 0.219 222 G HA3 -0.180 3.802 3.960 0.036 0.000 0.219 222 G C 1.451 176.250 174.900 -0.168 0.000 1.127 222 G CA 0.630 45.668 45.100 -0.103 0.000 0.766 222 G HN 0.165 nan 8.290 nan 0.000 0.552 223 L N -1.330 119.768 121.223 -0.209 0.000 2.316 223 L HA 0.389 4.751 4.340 0.036 0.000 0.207 223 L C 0.254 176.962 176.870 -0.270 0.000 1.070 223 L CA -0.002 54.632 54.840 -0.343 0.000 0.820 223 L CB 0.381 42.133 42.059 -0.511 0.000 0.992 223 L HN 0.110 nan 8.230 nan 0.000 0.466 224 L N 1.223 122.338 121.223 -0.181 0.000 2.442 224 L HA 0.524 4.886 4.340 0.036 0.000 0.261 224 L C -2.569 174.244 176.870 -0.095 0.000 1.000 224 L CA -2.206 52.562 54.840 -0.119 0.000 0.882 224 L CB 0.837 42.848 42.059 -0.079 0.000 1.207 224 L HN -0.261 nan 8.230 nan 0.000 0.443 225 P HA 0.041 nan 4.420 nan 0.000 0.263 225 P C 1.131 178.368 177.300 -0.106 0.000 1.175 225 P CA 0.273 63.304 63.100 -0.116 0.000 0.761 225 P CB 0.687 32.297 31.700 -0.150 0.000 0.794 226 L N 2.275 123.449 121.223 -0.082 0.000 2.083 226 L HA -0.179 4.183 4.340 0.036 0.000 0.209 226 L C 2.036 178.800 176.870 -0.177 0.000 1.083 226 L CA 1.705 56.536 54.840 -0.016 0.000 0.752 226 L CB -0.724 41.410 42.059 0.125 0.000 0.899 226 L HN 0.503 nan 8.230 nan 0.000 0.433 227 D N -1.213 118.832 120.400 -0.592 0.000 2.144 227 D HA -0.167 4.495 4.640 0.036 0.000 0.200 227 D C 1.818 177.826 176.300 -0.486 0.000 0.978 227 D CA 1.723 55.159 54.000 -0.940 0.000 0.833 227 D CB -0.634 39.401 40.800 -1.275 0.000 0.961 227 D HN 0.174 nan 8.370 nan 0.000 0.470 228 T N 0.311 114.624 114.554 -0.402 0.000 2.684 228 T HA -0.133 4.239 4.350 0.036 0.000 0.267 228 T C 1.595 175.973 174.700 -0.537 0.000 1.036 228 T CA 1.232 63.023 62.100 -0.516 0.000 1.148 228 T CB -0.733 67.882 68.868 -0.422 0.000 0.863 228 T HN 0.213 nan 8.240 nan 0.000 0.436 229 F N 1.955 121.709 119.950 -0.326 0.000 2.134 229 F HA -0.035 4.514 4.527 0.036 0.000 0.299 229 F C 2.467 178.217 175.800 -0.083 0.000 1.097 229 F CA 1.062 58.989 58.000 -0.121 0.000 1.264 229 F CB -0.444 38.529 39.000 -0.044 0.000 1.001 229 F HN 0.144 nan 8.300 nan 0.000 0.479 230 A N 0.654 123.438 122.820 -0.060 0.000 1.908 230 A HA -0.202 4.140 4.320 0.036 0.000 0.218 230 A C 2.376 179.865 177.584 -0.158 0.000 1.181 230 A CA 1.639 53.629 52.037 -0.079 0.000 0.627 230 A CB -0.783 18.229 19.000 0.020 0.000 0.818 230 A HN 0.402 nan 8.150 nan 0.000 0.445 231 R N -1.355 119.013 120.500 -0.220 0.000 2.080 231 R HA -0.123 4.239 4.340 0.036 0.000 0.236 231 R C 2.023 178.296 176.300 -0.045 0.000 1.137 231 R CA 1.911 57.905 56.100 -0.178 0.000 0.943 231 R CB -0.610 29.507 30.300 -0.306 0.000 0.846 231 R HN 0.682 nan 8.270 nan 0.000 0.431 232 F N 0.619 120.501 119.950 -0.113 0.000 2.161 232 F HA -0.248 4.299 4.527 0.033 0.000 0.300 232 F C 2.832 178.558 175.800 -0.123 0.000 1.089 232 F CA 1.018 58.988 58.000 -0.049 0.000 1.282 232 F CB -0.272 38.603 39.000 -0.207 0.000 1.010 232 F HN 0.203 nan 8.300 nan 0.000 0.485 233 S N -0.485 115.102 115.700 -0.189 0.000 2.447 233 S HA -0.220 4.272 4.470 0.036 0.000 0.233 233 S C 1.691 176.247 174.600 -0.074 0.000 1.006 233 S CA 0.954 59.008 58.200 -0.243 0.000 0.957 233 S CB -0.332 62.620 63.200 -0.414 0.000 0.773 233 S HN 0.299 nan 8.310 nan 0.000 0.507 234 Q N 1.745 121.528 119.800 -0.029 0.000 2.187 234 Q HA 0.246 4.608 4.340 0.036 0.000 0.199 234 Q C 0.558 176.569 176.000 0.019 0.000 0.957 234 Q CA 0.596 56.399 55.803 -0.000 0.000 0.857 234 Q CB -0.239 28.500 28.738 0.002 0.000 0.929 234 Q HN 0.575 nan 8.270 nan 0.000 0.453 235 N N 0.914 119.654 118.700 0.067 0.000 2.406 235 N HA 0.051 4.812 4.740 0.036 0.000 0.251 235 N C -2.107 173.372 175.510 -0.052 0.000 1.069 235 N CA -1.634 51.428 53.050 0.021 0.000 0.947 235 N CB 1.181 39.731 38.487 0.104 0.000 1.111 235 N HN -0.005 nan 8.380 nan 0.000 0.497 236 P HA -0.040 nan 4.420 nan 0.000 0.234 236 P C 0.653 177.871 177.300 -0.137 0.000 1.167 236 P CA 0.458 63.518 63.100 -0.067 0.000 0.763 236 P CB 0.184 31.856 31.700 -0.048 0.000 0.835 237 A N -1.394 121.232 122.820 -0.324 0.000 2.121 237 A HA -0.054 4.288 4.320 0.036 0.000 0.218 237 A C 0.671 177.974 177.584 -0.468 0.000 1.154 237 A CA 0.705 52.450 52.037 -0.485 0.000 0.679 237 A CB -0.915 17.646 19.000 -0.733 0.000 0.795 237 A HN 0.227 nan 8.150 nan 0.000 0.458 238 Y N -2.388 117.942 120.300 0.050 0.000 2.509 238 Y HA 0.529 5.103 4.550 0.040 0.000 0.341 238 Y C 0.183 176.146 175.900 0.105 0.000 1.038 238 Y CA -1.215 56.937 58.100 0.085 0.000 1.089 238 Y CB 0.954 39.452 38.460 0.065 0.000 1.241 238 Y HN 0.262 nan 8.280 nan 0.000 0.468 239 H N 1.147 120.342 119.070 0.207 0.000 2.502 239 H HA 0.503 5.080 4.556 0.035 0.000 0.327 239 H C -0.556 174.837 175.328 0.108 0.000 1.099 239 H CA -0.356 55.765 56.048 0.122 0.000 1.323 239 H CB 1.088 30.909 29.762 0.097 0.000 1.450 239 H HN 0.744 nan 8.280 nan 0.000 0.502 240 T N 2.119 116.448 114.554 -0.374 0.000 2.906 240 T HA 0.618 4.990 4.350 0.036 0.000 0.295 240 T C -0.866 173.719 174.700 -0.192 0.000 1.075 240 T CA -1.082 60.910 62.100 -0.179 0.000 1.005 240 T CB 2.118 70.825 68.868 -0.268 0.000 1.136 240 T HN 0.694 nan 8.240 nan 0.000 0.498 241 Q N 0.712 120.627 119.800 0.192 0.000 2.418 241 Q HA 0.649 5.011 4.340 0.036 0.000 0.282 241 Q C -1.610 174.625 176.000 0.392 0.000 1.044 241 Q CA -0.896 55.065 55.803 0.263 0.000 0.813 241 Q CB 2.949 31.859 28.738 0.287 0.000 1.428 241 Q HN 0.618 nan 8.270 nan 0.000 0.402 242 L N 1.383 122.763 121.223 0.262 0.000 2.385 242 L HA 0.503 4.865 4.340 0.036 0.000 0.273 242 L C 0.116 176.833 176.870 -0.256 0.000 0.990 242 L CA -0.729 54.122 54.840 0.018 0.000 0.821 242 L CB 2.132 44.202 42.059 0.017 0.000 1.279 242 L HN 0.793 nan 8.230 nan 0.000 0.412 243 S N 1.720 116.973 115.700 -0.745 0.000 2.606 243 S HA 0.247 4.738 4.470 0.036 0.000 0.257 243 S C 0.107 174.415 174.600 -0.487 0.000 1.327 243 S CA -0.595 56.886 58.200 -1.198 0.000 0.984 243 S CB 0.893 63.435 63.200 -1.096 0.000 0.941 243 S HN 0.514 nan 8.310 nan 0.000 0.576 244 Q N 1.209 120.785 119.800 -0.375 0.000 2.524 244 Q HA 0.371 4.733 4.340 0.036 0.000 0.246 244 Q C -2.339 173.543 176.000 -0.197 0.000 1.063 244 Q CA -1.404 54.273 55.803 -0.209 0.000 0.945 244 Q CB -0.548 28.099 28.738 -0.152 0.000 1.292 244 Q HN 0.508 nan 8.270 nan 0.000 0.518 245 P HA -0.048 nan 4.420 nan 0.000 0.265 245 P C -0.116 177.094 177.300 -0.149 0.000 1.187 245 P CA 0.698 63.700 63.100 -0.165 0.000 0.766 245 P CB 0.458 31.952 31.700 -0.343 0.000 0.820 246 I N 0.743 121.251 120.570 -0.102 0.000 4.300 246 I HA 0.116 4.308 4.170 0.036 0.000 0.234 246 I C 0.530 176.607 176.117 -0.066 0.000 1.037 246 I CA 0.188 61.434 61.300 -0.091 0.000 1.620 246 I CB -0.256 37.693 38.000 -0.085 0.000 1.514 246 I HN 0.224 nan 8.210 nan 0.000 0.462 247 E N 1.063 121.236 120.200 -0.045 0.000 2.283 247 E HA 0.285 4.656 4.350 0.036 0.000 0.271 247 E C -0.894 175.716 176.600 0.016 0.000 1.031 247 E CA -0.208 56.163 56.400 -0.048 0.000 0.868 247 E CB 1.135 30.797 29.700 -0.063 0.000 1.094 247 E HN 0.101 nan 8.360 nan 0.000 0.401 248 T N 1.271 115.803 114.554 -0.037 0.000 2.799 248 T HA 0.364 4.736 4.350 0.036 0.000 0.286 248 T C -0.440 174.187 174.700 -0.122 0.000 0.973 248 T CA -0.666 61.419 62.100 -0.024 0.000 1.035 248 T CB 0.738 69.530 68.868 -0.126 0.000 0.932 248 T HN 0.093 nan 8.240 nan 0.000 0.469 249 V N 6.021 125.877 119.914 -0.097 0.000 2.394 249 V HA 0.657 4.799 4.120 0.036 0.000 0.282 249 V C 0.176 176.249 176.094 -0.035 0.000 1.031 249 V CA -0.554 61.715 62.300 -0.051 0.000 0.881 249 V CB 0.894 32.694 31.823 -0.039 0.000 0.982 249 V HN 0.918 nan 8.190 nan 0.000 0.451 250 M N 4.794 124.421 119.600 0.045 0.000 2.683 250 M HA 0.691 5.193 4.480 0.036 0.000 0.274 250 M C -2.110 174.258 176.300 0.113 0.000 1.272 250 M CA -0.876 54.456 55.300 0.054 0.000 0.833 250 M CB 2.373 34.987 32.600 0.023 0.000 1.708 250 M HN 0.270 nan 8.290 nan 0.000 0.463 251 L N 1.948 123.193 121.223 0.036 0.000 2.307 251 L HA 0.776 5.138 4.340 0.036 0.000 0.282 251 L C 0.053 176.995 176.870 0.119 0.000 1.051 251 L CA -0.826 53.992 54.840 -0.037 0.000 0.804 251 L CB 1.656 43.618 42.059 -0.162 0.000 1.197 251 L HN 0.914 nan 8.230 nan 0.000 0.431 252 A N 5.000 127.881 122.820 0.102 0.000 2.290 252 A HA 0.703 5.045 4.320 0.036 0.000 0.310 252 A C -0.530 177.080 177.584 0.044 0.000 1.202 252 A CA -0.477 51.639 52.037 0.131 0.000 0.837 252 A CB 0.386 19.419 19.000 0.056 0.000 1.139 252 A HN 0.659 nan 8.150 nan 0.000 0.509 253 L N 2.552 123.768 121.223 -0.011 0.000 2.307 253 L HA 0.340 4.702 4.340 0.036 0.000 0.284 253 L C 0.244 177.121 176.870 0.013 0.000 1.023 253 L CA -0.914 53.925 54.840 -0.001 0.000 0.810 253 L CB 1.256 43.273 42.059 -0.070 0.000 1.231 253 L HN 0.690 nan 8.230 nan 0.000 0.423 254 N N 1.665 120.386 118.700 0.034 0.000 2.415 254 N HA -0.000 4.762 4.740 0.036 0.000 0.250 254 N C 1.139 176.574 175.510 -0.124 0.000 1.127 254 N CA -0.029 52.958 53.050 -0.106 0.000 0.945 254 N CB 1.124 39.414 38.487 -0.327 0.000 1.196 254 N HN 0.743 nan 8.380 nan 0.000 0.499 255 T N 0.168 114.648 114.554 -0.124 0.000 3.051 255 T HA -0.020 4.352 4.350 0.036 0.000 0.269 255 T C 1.204 175.840 174.700 -0.106 0.000 1.127 255 T CA 0.870 62.905 62.100 -0.109 0.000 1.107 255 T CB 0.050 68.851 68.868 -0.112 0.000 0.898 255 T HN 0.353 nan 8.240 nan 0.000 0.517 256 A N 0.129 122.868 122.820 -0.136 0.000 2.387 256 A HA 0.442 4.784 4.320 0.036 0.000 0.234 256 A C 0.721 178.236 177.584 -0.115 0.000 1.253 256 A CA -0.438 51.524 52.037 -0.124 0.000 0.894 256 A CB 0.026 18.937 19.000 -0.148 0.000 0.963 256 A HN 0.489 nan 8.150 nan 0.000 0.508 257 K N 0.561 120.890 120.400 -0.119 0.000 2.397 257 K HA 0.643 4.985 4.320 0.036 0.000 0.253 257 K C -0.366 176.200 176.600 -0.056 0.000 0.932 257 K CA -0.589 55.639 56.287 -0.099 0.000 0.795 257 K CB 1.702 34.112 32.500 -0.149 0.000 1.159 257 K HN 0.143 nan 8.250 nan 0.000 0.424 258 A N 4.313 127.121 122.820 -0.019 0.000 2.498 258 A HA 0.215 4.557 4.320 0.036 0.000 0.239 258 A C -1.692 175.893 177.584 0.001 0.000 1.068 258 A CA -0.822 51.231 52.037 0.026 0.000 0.766 258 A CB -0.093 18.950 19.000 0.072 0.000 1.003 258 A HN 0.729 nan 8.150 nan 0.000 0.497 259 P HA 0.021 nan 4.420 nan 0.000 0.261 259 P C 0.903 178.179 177.300 -0.040 0.000 1.268 259 P CA 0.865 63.970 63.100 0.008 0.000 0.833 259 P CB -0.087 31.483 31.700 -0.216 0.000 1.231 260 T N -1.971 112.544 114.554 -0.065 0.000 3.163 260 T HA -0.089 4.283 4.350 0.036 0.000 0.260 260 T C 1.420 176.091 174.700 -0.048 0.000 1.156 260 T CA 0.566 62.626 62.100 -0.067 0.000 1.072 260 T CB -1.088 67.739 68.868 -0.069 0.000 0.937 260 T HN 0.126 nan 8.240 nan 0.000 0.528 261 N N 1.516 120.200 118.700 -0.026 0.000 2.512 261 N HA -0.080 4.682 4.740 0.036 0.000 0.183 261 N C 0.169 175.683 175.510 0.007 0.000 1.073 261 N CA 0.320 53.359 53.050 -0.019 0.000 0.911 261 N CB -0.301 38.176 38.487 -0.015 0.000 0.964 261 N HN 0.576 nan 8.380 nan 0.000 0.447 262 E N 0.300 120.522 120.200 0.036 0.000 2.200 262 E HA 0.077 4.448 4.350 0.036 0.000 0.283 262 E C 0.664 177.282 176.600 0.030 0.000 1.015 262 E CA -0.565 55.872 56.400 0.062 0.000 0.819 262 E CB 1.839 31.630 29.700 0.152 0.000 1.081 262 E HN 0.021 nan 8.360 nan 0.000 0.397 263 L N 4.361 125.598 121.223 0.024 0.000 2.043 263 L HA -0.248 4.114 4.340 0.036 0.000 0.212 263 L C 2.036 178.921 176.870 0.025 0.000 1.075 263 L CA 2.506 57.354 54.840 0.013 0.000 0.752 263 L CB -0.540 41.529 42.059 0.016 0.000 0.891 263 L HN 0.709 nan 8.230 nan 0.000 0.432 264 A N -1.322 121.528 122.820 0.051 0.000 1.933 264 A HA -0.137 4.205 4.320 0.036 0.000 0.218 264 A C 2.260 179.869 177.584 0.041 0.000 1.175 264 A CA 1.912 53.987 52.037 0.062 0.000 0.628 264 A CB -1.056 18.000 19.000 0.094 0.000 0.814 264 A HN 0.334 nan 8.150 nan 0.000 0.444 265 V N 0.051 119.975 119.914 0.017 0.000 2.358 265 V HA -0.255 3.887 4.120 0.036 0.000 0.246 265 V C 2.636 178.695 176.094 -0.059 0.000 1.047 265 V CA 2.188 64.444 62.300 -0.074 0.000 1.035 265 V CB -0.788 30.945 31.823 -0.151 0.000 0.658 265 V HN 0.532 nan 8.190 nan 0.000 0.452 266 R N -0.202 120.274 120.500 -0.040 0.000 2.092 266 R HA -0.142 4.220 4.340 0.036 0.000 0.231 266 R C 2.289 178.571 176.300 -0.029 0.000 1.119 266 R CA 1.489 57.560 56.100 -0.049 0.000 0.970 266 R CB -0.282 29.983 30.300 -0.059 0.000 0.864 266 R HN 0.618 nan 8.270 nan 0.000 0.440 267 E N 0.742 120.947 120.200 0.009 0.000 2.051 267 E HA -0.166 4.206 4.350 0.036 0.000 0.192 267 E C 2.118 178.814 176.600 0.159 0.000 0.991 267 E CA 1.118 57.560 56.400 0.070 0.000 0.799 267 E CB -0.120 29.654 29.700 0.122 0.000 0.748 267 E HN 0.334 nan 8.360 nan 0.000 0.449 268 A N 1.410 124.295 122.820 0.108 0.000 1.892 268 A HA -0.211 4.131 4.320 0.036 0.000 0.218 268 A C 2.226 179.854 177.584 0.072 0.000 1.188 268 A CA 1.299 53.395 52.037 0.097 0.000 0.631 268 A CB -0.827 18.181 19.000 0.014 0.000 0.822 268 A HN 0.147 nan 8.150 nan 0.000 0.447 269 L N -0.319 120.907 121.223 0.006 0.000 2.042 269 L HA -0.242 4.120 4.340 0.036 0.000 0.210 269 L C 2.449 179.314 176.870 -0.007 0.000 1.076 269 L CA 1.508 56.339 54.840 -0.016 0.000 0.749 269 L CB -0.681 41.346 42.059 -0.053 0.000 0.893 269 L HN 0.470 nan 8.230 nan 0.000 0.432 270 N N -0.741 117.935 118.700 -0.039 0.000 2.223 270 N HA -0.189 4.573 4.740 0.036 0.000 0.185 270 N C 1.760 177.186 175.510 -0.141 0.000 1.016 270 N CA 1.404 54.383 53.050 -0.119 0.000 0.863 270 N CB -0.059 38.297 38.487 -0.218 0.000 0.983 270 N HN 0.394 nan 8.380 nan 0.000 0.429 271 Y N 0.319 120.621 120.300 0.005 0.000 2.544 271 Y HA 0.118 4.690 4.550 0.037 0.000 0.286 271 Y C 2.138 178.070 175.900 0.052 0.000 1.141 271 Y CA 0.397 58.505 58.100 0.013 0.000 1.299 271 Y CB 0.235 38.678 38.460 -0.029 0.000 1.030 271 Y HN 0.050 nan 8.280 nan 0.000 0.543 272 A N -0.655 122.276 122.820 0.185 0.000 2.169 272 A HA 0.186 4.528 4.320 0.036 0.000 0.210 272 A C 0.620 178.362 177.584 0.265 0.000 1.168 272 A CA 0.079 52.231 52.037 0.192 0.000 0.813 272 A CB -0.263 18.795 19.000 0.097 0.000 0.861 272 A HN 0.010 nan 8.150 nan 0.000 0.481 273 V N 2.426 122.441 119.914 0.169 0.000 2.455 273 V HA 0.094 4.236 4.120 0.036 0.000 0.273 273 V C 0.102 176.191 176.094 -0.007 0.000 1.045 273 V CA -0.563 61.773 62.300 0.060 0.000 0.976 273 V CB 0.769 32.588 31.823 -0.006 0.000 0.993 273 V HN 0.478 nan 8.190 nan 0.000 0.475 274 N N 4.962 123.484 118.700 -0.296 0.000 2.605 274 N HA 0.140 4.901 4.740 0.036 0.000 0.258 274 N C 1.040 176.353 175.510 -0.328 0.000 1.156 274 N CA 0.050 52.680 53.050 -0.700 0.000 1.008 274 N CB 0.523 38.440 38.487 -0.951 0.000 1.354 274 N HN 0.590 nan 8.380 nan 0.000 0.509 275 K N 2.026 122.303 120.400 -0.204 0.000 2.057 275 K HA -0.148 4.194 4.320 0.036 0.000 0.206 275 K C 1.594 178.113 176.600 -0.135 0.000 1.050 275 K CA 1.018 57.223 56.287 -0.138 0.000 0.935 275 K CB 0.247 32.685 32.500 -0.105 0.000 0.715 275 K HN 0.382 nan 8.250 nan 0.000 0.439 276 K N 0.917 121.236 120.400 -0.135 0.000 2.026 276 K HA -0.141 4.201 4.320 0.036 0.000 0.208 276 K C 2.362 178.890 176.600 -0.119 0.000 1.048 276 K CA 1.651 57.876 56.287 -0.103 0.000 0.929 276 K CB -0.134 32.320 32.500 -0.077 0.000 0.713 276 K HN -0.030 nan 8.250 nan 0.000 0.439 277 S N 0.704 116.306 115.700 -0.164 0.000 2.368 277 S HA -0.127 4.365 4.470 0.036 0.000 0.225 277 S C 1.919 176.432 174.600 -0.145 0.000 1.030 277 S CA 1.201 59.308 58.200 -0.154 0.000 0.999 277 S CB -0.347 62.742 63.200 -0.185 0.000 0.844 277 S HN 0.458 nan 8.310 nan 0.000 0.459 278 L N 0.735 121.868 121.223 -0.150 0.000 2.042 278 L HA -0.078 4.284 4.340 0.036 0.000 0.210 278 L C 2.147 178.936 176.870 -0.135 0.000 1.076 278 L CA 1.768 56.528 54.840 -0.134 0.000 0.749 278 L CB -0.342 41.648 42.059 -0.114 0.000 0.893 278 L HN 0.398 nan 8.230 nan 0.000 0.432 279 I N -0.106 120.393 120.570 -0.119 0.000 2.202 279 I HA -0.272 3.919 4.170 0.036 0.000 0.242 279 I C 2.027 178.079 176.117 -0.108 0.000 1.091 279 I CA 1.221 62.459 61.300 -0.103 0.000 1.368 279 I CB -0.509 37.445 38.000 -0.078 0.000 1.058 279 I HN 0.277 nan 8.210 nan 0.000 0.410 280 D N 0.586 120.926 120.400 -0.101 0.000 2.149 280 D HA -0.192 4.469 4.640 0.036 0.000 0.198 280 D C 1.820 178.021 176.300 -0.165 0.000 0.990 280 D CA 1.191 55.136 54.000 -0.092 0.000 0.839 280 D CB -0.294 40.463 40.800 -0.073 0.000 0.948 280 D HN 0.299 nan 8.370 nan 0.000 0.460 281 N N 0.289 118.864 118.700 -0.208 0.000 2.255 281 N HA 0.016 4.777 4.740 0.036 0.000 0.192 281 N C 1.527 176.757 175.510 -0.466 0.000 1.049 281 N CA 1.706 54.586 53.050 -0.284 0.000 0.886 281 N CB -0.421 37.950 38.487 -0.193 0.000 1.064 281 N HN 0.006 nan 8.380 nan 0.000 0.457 282 A N 0.252 122.870 122.820 -0.337 0.000 2.014 282 A HA 0.145 4.487 4.320 0.036 0.000 0.218 282 A C 1.812 179.194 177.584 -0.337 0.000 1.163 282 A CA 0.798 52.636 52.037 -0.333 0.000 0.652 282 A CB -0.327 18.552 19.000 -0.201 0.000 0.808 282 A HN 0.389 nan 8.150 nan 0.000 0.449 283 L N -2.851 118.218 121.223 -0.256 0.000 2.959 283 L HA 0.236 4.598 4.340 0.036 0.000 0.259 283 L C -0.328 176.597 176.870 0.091 0.000 1.185 283 L CA -0.405 54.406 54.840 -0.047 0.000 0.998 283 L CB -0.100 41.934 42.059 -0.041 0.000 1.337 283 L HN 0.413 nan 8.230 nan 0.000 0.555 284 Y N 0.330 120.614 120.300 -0.026 0.000 3.491 284 Y HA -0.278 4.294 4.550 0.037 0.000 0.215 284 Y C 1.594 177.499 175.900 0.009 0.000 1.219 284 Y CA 0.690 58.783 58.100 -0.011 0.000 1.485 284 Y CB -2.239 36.217 38.460 -0.007 0.000 1.450 284 Y HN 0.445 nan 8.280 nan 0.000 0.603 285 G N -0.997 107.839 108.800 0.060 0.000 2.179 285 G HA2 -0.367 3.615 3.960 0.036 0.000 0.257 285 G HA3 -0.367 3.615 3.960 0.036 0.000 0.257 285 G C 0.805 175.759 174.900 0.090 0.000 1.010 285 G CA 1.127 46.259 45.100 0.054 0.000 0.736 285 G HN 1.123 nan 8.290 nan 0.000 0.513 286 T N -3.402 111.219 114.554 0.112 0.000 3.060 286 T HA 0.437 4.809 4.350 0.036 0.000 0.249 286 T C 0.827 175.563 174.700 0.061 0.000 1.079 286 T CA 0.987 63.170 62.100 0.138 0.000 1.013 286 T CB 0.465 69.429 68.868 0.161 0.000 0.975 286 T HN 0.582 nan 8.240 nan 0.000 0.518 287 Q N 0.486 120.303 119.800 0.029 0.000 2.445 287 Q HA 0.488 4.850 4.340 0.036 0.000 0.281 287 Q C -0.935 175.073 176.000 0.013 0.000 1.101 287 Q CA -0.961 54.847 55.803 0.008 0.000 0.833 287 Q CB 1.935 30.662 28.738 -0.019 0.000 1.416 287 Q HN 0.337 nan 8.270 nan 0.000 0.451 288 Q N 0.424 120.246 119.800 0.036 0.000 2.230 288 Q HA 0.347 4.708 4.340 0.036 0.000 0.248 288 Q C -0.704 175.270 176.000 -0.043 0.000 0.915 288 Q CA -0.526 55.308 55.803 0.051 0.000 0.900 288 Q CB 1.627 30.467 28.738 0.171 0.000 1.229 288 Q HN 0.323 nan 8.270 nan 0.000 0.439 289 V N 1.731 121.612 119.914 -0.056 0.000 2.673 289 V HA 0.128 4.270 4.120 0.036 0.000 0.303 289 V C -0.001 175.928 176.094 -0.275 0.000 1.046 289 V CA 0.089 62.306 62.300 -0.139 0.000 1.126 289 V CB 0.806 32.587 31.823 -0.070 0.000 0.934 289 V HN 0.824 nan 8.190 nan 0.000 0.487 290 A N 3.542 126.063 122.820 -0.499 0.000 2.253 290 A HA 0.469 4.811 4.320 0.036 0.000 0.316 290 A C 0.535 177.961 177.584 -0.263 0.000 1.327 290 A CA -0.566 51.004 52.037 -0.779 0.000 0.917 290 A CB 0.223 18.533 19.000 -1.149 0.000 1.162 290 A HN 0.851 nan 8.150 nan 0.000 0.535 291 D N 1.213 121.578 120.400 -0.058 0.000 2.333 291 D HA 0.034 4.695 4.640 0.036 0.000 0.208 291 D C 0.691 177.068 176.300 0.127 0.000 0.984 291 D CA 1.666 55.688 54.000 0.037 0.000 0.873 291 D CB 0.488 41.334 40.800 0.077 0.000 0.935 291 D HN 0.675 nan 8.370 nan 0.000 0.521 292 T N -2.117 112.525 114.554 0.147 0.000 2.903 292 T HA 0.299 4.670 4.350 0.036 0.000 0.299 292 T C 0.885 175.652 174.700 0.111 0.000 1.093 292 T CA -0.824 61.386 62.100 0.183 0.000 1.002 292 T CB 2.269 71.212 68.868 0.125 0.000 1.127 292 T HN -0.185 nan 8.240 nan 0.000 0.488 293 L N 0.758 121.994 121.223 0.022 0.000 2.021 293 L HA 0.222 4.584 4.340 0.036 0.000 0.215 293 L C -0.033 176.539 176.870 -0.496 0.000 1.074 293 L CA 1.720 56.381 54.840 -0.298 0.000 0.760 293 L CB -0.636 41.194 42.059 -0.381 0.000 0.889 293 L HN 0.721 nan 8.230 nan 0.000 0.433 294 F N -0.431 119.512 119.950 -0.011 0.000 2.469 294 F HA 0.603 5.151 4.527 0.035 0.000 0.332 294 F C 0.766 176.514 175.800 -0.086 0.000 1.103 294 F CA -0.824 57.129 58.000 -0.079 0.000 0.979 294 F CB 0.803 39.726 39.000 -0.128 0.000 1.137 294 F HN -0.031 nan 8.300 nan 0.000 0.463 295 A N 4.329 127.045 122.820 -0.173 0.000 2.520 295 A HA 0.202 4.544 4.320 0.036 0.000 0.235 295 A C -1.544 175.932 177.584 -0.179 0.000 1.065 295 A CA -1.008 50.730 52.037 -0.500 0.000 0.764 295 A CB -0.284 18.116 19.000 -1.000 0.000 1.002 295 A HN 0.599 nan 8.150 nan 0.000 0.502 296 P HA -0.109 nan 4.420 nan 0.000 0.231 296 P C 1.059 178.301 177.300 -0.097 0.000 1.158 296 P CA 1.522 64.578 63.100 -0.074 0.000 0.763 296 P CB -0.100 31.574 31.700 -0.043 0.000 0.805 297 S N -1.682 113.937 115.700 -0.135 0.000 2.562 297 S HA 0.040 4.532 4.470 0.036 0.000 0.221 297 S C 0.941 175.466 174.600 -0.125 0.000 0.975 297 S CA -0.175 57.952 58.200 -0.122 0.000 0.918 297 S CB -1.042 62.078 63.200 -0.133 0.000 0.772 297 S HN -0.101 nan 8.310 nan 0.000 0.531 298 V N 4.175 124.001 119.914 -0.147 0.000 2.572 298 V HA 0.237 4.379 4.120 0.036 0.000 0.291 298 V C -1.766 174.208 176.094 -0.200 0.000 1.039 298 V CA -1.699 60.493 62.300 -0.180 0.000 1.055 298 V CB 0.277 31.964 31.823 -0.227 0.000 0.969 298 V HN 0.240 nan 8.190 nan 0.000 0.482 302 N N 1.533 120.204 118.700 -0.048 0.000 2.968 302 N HA 0.397 5.158 4.740 0.036 0.000 0.271 302 N C 0.467 175.967 175.510 -0.016 0.000 1.174 302 N CA -0.082 52.948 53.050 -0.032 0.000 1.096 302 N CB -0.337 38.128 38.487 -0.037 0.000 1.403 302 N HN 0.498 nan 8.380 nan 0.000 0.522 303 L N 0.228 121.444 121.223 -0.012 0.000 2.664 303 L HA 0.336 4.698 4.340 0.036 0.000 0.233 303 L C 1.328 178.188 176.870 -0.016 0.000 1.113 303 L CA 0.028 54.864 54.840 -0.006 0.000 0.896 303 L CB 0.020 42.079 42.059 0.001 0.000 1.163 303 L HN 0.520 nan 8.230 nan 0.000 0.497 304 G N 1.640 110.427 108.800 -0.021 0.000 2.249 304 G HA2 -0.291 3.690 3.960 0.036 0.000 0.273 304 G HA3 -0.291 3.690 3.960 0.036 0.000 0.273 304 G C 0.272 175.148 174.900 -0.041 0.000 1.036 304 G CA -0.020 45.069 45.100 -0.019 0.000 0.824 304 G HN 0.245 nan 8.290 nan 0.000 0.504 305 L N -0.405 120.755 121.223 -0.105 0.000 2.485 305 L HA 0.155 4.517 4.340 0.036 0.000 0.275 305 L C 1.329 178.122 176.870 -0.129 0.000 1.207 305 L CA 0.102 54.805 54.840 -0.228 0.000 0.855 305 L CB 0.543 42.240 42.059 -0.603 0.000 1.114 305 L HN 0.211 nan 8.230 nan 0.000 0.485 306 K N 4.670 125.064 120.400 -0.009 0.000 2.383 306 K HA 0.211 4.552 4.320 0.036 0.000 0.286 306 K C -2.238 174.489 176.600 0.213 0.000 1.051 306 K CA -1.456 54.899 56.287 0.112 0.000 0.974 306 K CB 0.681 33.264 32.500 0.139 0.000 0.968 306 K HN 0.218 nan 8.250 nan 0.000 0.475 307 P HA 0.080 nan 4.420 nan 0.000 0.274 307 P C -1.131 176.199 177.300 0.050 0.000 1.231 307 P CA -0.410 62.759 63.100 0.115 0.000 0.790 307 P CB 1.078 32.823 31.700 0.075 0.000 0.951 308 S N 1.580 117.225 115.700 -0.092 0.000 2.415 308 S HA 0.174 4.666 4.470 0.036 0.000 0.313 308 S C 0.142 174.618 174.600 -0.206 0.000 1.067 308 S CA -0.631 57.338 58.200 -0.384 0.000 1.099 308 S CB -0.171 62.473 63.200 -0.926 0.000 0.991 308 S HN 0.360 nan 8.310 nan 0.000 0.491 309 Q N 1.915 121.744 119.800 0.049 0.000 2.306 309 Q HA 0.292 4.654 4.340 0.036 0.000 0.241 309 Q C -0.406 175.724 176.000 0.216 0.000 0.948 309 Q CA -0.781 55.099 55.803 0.127 0.000 0.886 309 Q CB 0.489 29.310 28.738 0.139 0.000 1.227 309 Q HN 0.640 nan 8.270 nan 0.000 0.457 310 Y N 2.026 122.370 120.300 0.073 0.000 2.745 310 Y HA -0.033 4.539 4.550 0.037 0.000 0.335 310 Y C -0.846 175.126 175.900 0.121 0.000 1.212 310 Y CA 0.633 58.784 58.100 0.085 0.000 1.535 310 Y CB 0.423 38.903 38.460 0.034 0.000 1.220 310 Y HN 0.712 nan 8.280 nan 0.000 0.531 311 D N 8.645 128.869 120.400 -0.292 0.000 2.584 311 D HA 0.209 4.871 4.640 0.036 0.000 0.238 311 D C -2.408 173.712 176.300 -0.300 0.000 1.302 311 D CA -1.561 52.243 54.000 -0.326 0.000 0.884 311 D CB 1.451 42.184 40.800 -0.111 0.000 1.456 311 D HN 0.276 nan 8.370 nan 0.000 0.528 312 P HA -0.167 nan 4.420 nan 0.000 0.216 312 P C 1.432 178.648 177.300 -0.141 0.000 1.150 312 P CA 1.073 64.051 63.100 -0.204 0.000 0.843 312 P CB 0.399 31.998 31.700 -0.169 0.000 0.787 313 Q N 0.199 119.905 119.800 -0.157 0.000 2.096 313 Q HA -0.213 4.149 4.340 0.036 0.000 0.204 313 Q C 1.950 177.868 176.000 -0.136 0.000 0.982 313 Q CA 1.724 57.456 55.803 -0.119 0.000 0.850 313 Q CB -0.226 28.448 28.738 -0.108 0.000 0.901 313 Q HN 0.175 nan 8.270 nan 0.000 0.422 314 K N -0.320 119.958 120.400 -0.203 0.000 2.097 314 K HA -0.077 4.265 4.320 0.036 0.000 0.205 314 K C 2.070 178.524 176.600 -0.242 0.000 1.050 314 K CA 0.878 56.992 56.287 -0.289 0.000 0.938 314 K CB -0.100 32.074 32.500 -0.542 0.000 0.718 314 K HN 0.250 nan 8.250 nan 0.000 0.442 315 A N 1.975 124.698 122.820 -0.162 0.000 1.877 315 A HA -0.207 4.135 4.320 0.036 0.000 0.216 315 A C 1.895 179.456 177.584 -0.038 0.000 1.186 315 A CA 1.562 53.571 52.037 -0.047 0.000 0.620 315 A CB -0.299 18.712 19.000 0.018 0.000 0.822 315 A HN 0.177 nan 8.150 nan 0.000 0.443 316 K N -0.459 119.914 120.400 -0.045 0.000 2.097 316 K HA -0.052 4.289 4.320 0.036 0.000 0.206 316 K C 2.273 178.864 176.600 -0.015 0.000 1.049 316 K CA 1.042 57.317 56.287 -0.021 0.000 0.933 316 K CB -0.290 32.196 32.500 -0.024 0.000 0.717 316 K HN 0.458 nan 8.250 nan 0.000 0.442 317 A N 1.330 124.123 122.820 -0.044 0.000 1.930 317 A HA -0.105 4.237 4.320 0.036 0.000 0.217 317 A C 2.100 179.673 177.584 -0.017 0.000 1.175 317 A CA 1.075 53.090 52.037 -0.037 0.000 0.627 317 A CB -0.528 18.433 19.000 -0.065 0.000 0.815 317 A HN 0.141 nan 8.150 nan 0.000 0.443 318 L N -0.617 120.589 121.223 -0.028 0.000 2.042 318 L HA -0.200 4.162 4.340 0.036 0.000 0.210 318 L C 2.553 179.460 176.870 0.061 0.000 1.076 318 L CA 1.182 56.027 54.840 0.008 0.000 0.749 318 L CB -0.461 41.601 42.059 0.004 0.000 0.893 318 L HN 0.384 nan 8.230 nan 0.000 0.432 319 L N -0.868 120.397 121.223 0.070 0.000 2.056 319 L HA -0.192 4.170 4.340 0.036 0.000 0.207 319 L C 2.586 179.570 176.870 0.190 0.000 1.078 319 L CA 0.936 55.869 54.840 0.156 0.000 0.749 319 L CB -0.413 41.708 42.059 0.103 0.000 0.901 319 L HN 0.217 nan 8.230 nan 0.000 0.433 320 E N 0.929 121.191 120.200 0.104 0.000 2.058 320 E HA -0.288 4.084 4.350 0.036 0.000 0.194 320 E C 2.147 178.778 176.600 0.051 0.000 0.997 320 E CA 1.632 58.076 56.400 0.073 0.000 0.801 320 E CB -0.046 29.675 29.700 0.035 0.000 0.746 320 E HN 0.202 nan 8.360 nan 0.000 0.450 321 K N -0.594 119.831 120.400 0.042 0.000 2.097 321 K HA -0.074 4.268 4.320 0.036 0.000 0.206 321 K C 1.737 178.353 176.600 0.028 0.000 1.049 321 K CA 1.226 57.527 56.287 0.024 0.000 0.933 321 K CB -0.217 32.293 32.500 0.017 0.000 0.717 321 K HN 0.187 nan 8.250 nan 0.000 0.442 322 A N -0.117 122.747 122.820 0.073 0.000 2.235 322 A HA 0.169 4.511 4.320 0.036 0.000 0.208 322 A C 1.314 178.877 177.584 -0.035 0.000 1.172 322 A CA 0.916 53.002 52.037 0.083 0.000 0.786 322 A CB -0.383 18.754 19.000 0.229 0.000 0.804 322 A HN 0.580 nan 8.150 nan 0.000 0.479 323 G N -2.950 105.819 108.800 -0.051 0.000 2.159 323 G HA2 -0.245 3.737 3.960 0.036 0.000 0.227 323 G HA3 -0.245 3.737 3.960 0.036 0.000 0.227 323 G C -0.222 174.533 174.900 -0.242 0.000 0.986 323 G CA -0.081 44.912 45.100 -0.177 0.000 0.651 323 G HN 0.451 nan 8.290 nan 0.000 0.523 324 W N 2.209 123.502 121.300 -0.010 0.000 2.360 324 W HA 0.571 5.253 4.660 0.037 0.000 0.344 324 W C 0.895 177.409 176.519 -0.009 0.000 1.025 324 W CA 0.138 57.478 57.345 -0.009 0.000 1.480 324 W CB 0.756 30.211 29.460 -0.008 0.000 1.350 324 W HN 0.384 nan 8.180 nan 0.000 0.382 325 T N 0.125 114.767 114.554 0.146 0.000 2.924 325 T HA 0.663 5.034 4.350 0.036 0.000 0.291 325 T C -0.593 174.155 174.700 0.081 0.000 1.045 325 T CA -1.026 61.126 62.100 0.086 0.000 1.015 325 T CB 1.256 70.143 68.868 0.031 0.000 1.103 325 T HN 0.164 nan 8.240 nan 0.000 0.496 326 L N 2.872 124.130 121.223 0.058 0.000 2.313 326 L HA 0.391 4.753 4.340 0.036 0.000 0.282 326 L C -1.920 174.969 176.870 0.032 0.000 1.092 326 L CA -1.922 52.947 54.840 0.047 0.000 0.831 326 L CB 0.542 42.622 42.059 0.035 0.000 1.159 326 L HN 0.565 nan 8.230 nan 0.000 0.442 327 P HA 0.147 nan 4.420 nan 0.000 0.272 327 P C -0.547 176.762 177.300 0.015 0.000 1.230 327 P CA -0.565 62.547 63.100 0.019 0.000 0.788 327 P CB 0.584 32.296 31.700 0.019 0.000 0.949 328 A N 1.344 124.170 122.820 0.010 0.000 2.565 328 A HA 0.390 4.732 4.320 0.036 0.000 0.237 328 A C 1.474 179.064 177.584 0.010 0.000 1.053 328 A CA 0.659 52.700 52.037 0.008 0.000 0.755 328 A CB -1.500 17.503 19.000 0.005 0.000 0.980 328 A HN 0.949 nan 8.150 nan 0.000 0.506 329 G N 1.435 110.241 108.800 0.010 0.000 2.168 329 G HA2 -0.249 3.733 3.960 0.036 0.000 0.257 329 G HA3 -0.249 3.733 3.960 0.036 0.000 0.257 329 G C 0.170 175.077 174.900 0.012 0.000 0.997 329 G CA 1.135 46.241 45.100 0.010 0.000 0.708 329 G HN 0.910 nan 8.290 nan 0.000 0.520 330 K N -0.556 119.854 120.400 0.015 0.000 2.400 330 K HA 0.547 4.889 4.320 0.036 0.000 0.246 330 K C 0.138 176.751 176.600 0.021 0.000 0.995 330 K CA -0.296 56.003 56.287 0.019 0.000 0.840 330 K CB 1.251 33.765 32.500 0.024 0.000 1.293 330 K HN 0.079 nan 8.250 nan 0.000 0.445 331 D N -0.027 120.386 120.400 0.021 0.000 2.500 331 D HA 0.107 4.768 4.640 0.036 0.000 0.217 331 D C 0.040 176.354 176.300 0.023 0.000 1.159 331 D CA 0.089 54.101 54.000 0.020 0.000 0.828 331 D CB 0.522 41.331 40.800 0.015 0.000 1.039 331 D HN 0.135 nan 8.370 nan 0.000 0.512 332 I N 1.425 122.013 120.570 0.031 0.000 2.433 332 I HA 0.351 4.543 4.170 0.036 0.000 0.292 332 I C 0.560 176.716 176.117 0.066 0.000 1.001 332 I CA -0.760 60.562 61.300 0.037 0.000 1.119 332 I CB 1.745 39.764 38.000 0.032 0.000 1.289 332 I HN -0.217 nan 8.210 nan 0.000 0.438 333 R N 4.074 124.626 120.500 0.087 0.000 2.738 333 R HA 0.345 4.707 4.340 0.036 0.000 0.268 333 R C -0.348 176.101 176.300 0.249 0.000 1.062 333 R CA -0.170 56.027 56.100 0.162 0.000 1.158 333 R CB 0.794 31.218 30.300 0.206 0.000 1.046 333 R HN 0.554 nan 8.270 nan 0.000 0.493 334 E N 0.909 121.257 120.200 0.246 0.000 2.367 334 E HA 0.312 4.684 4.350 0.036 0.000 0.273 334 E C -1.206 175.418 176.600 0.041 0.000 0.903 334 E CA -0.982 55.549 56.400 0.219 0.000 0.764 334 E CB 2.838 32.595 29.700 0.095 0.000 1.252 334 E HN 0.270 nan 8.360 nan 0.000 0.446 335 K N 1.827 122.092 120.400 -0.225 0.000 2.507 335 K HA 0.254 4.596 4.320 0.036 0.000 0.251 335 K C -0.986 175.393 176.600 -0.367 0.000 0.943 335 K CA -0.371 55.571 56.287 -0.576 0.000 0.794 335 K CB 0.777 32.351 32.500 -1.544 0.000 1.188 335 K HN 0.726 nan 8.250 nan 0.000 0.428 336 N N 2.879 121.432 118.700 -0.245 0.000 2.727 336 N HA -0.244 4.518 4.740 0.036 0.000 0.249 336 N C 0.396 175.852 175.510 -0.089 0.000 1.048 336 N CA 0.585 53.545 53.050 -0.149 0.000 0.714 336 N CB -0.930 37.465 38.487 -0.152 0.000 0.959 336 N HN 1.072 nan 8.380 nan 0.000 0.544 337 G N -0.477 108.283 108.800 -0.066 0.000 2.180 337 G HA2 -0.396 3.586 3.960 0.036 0.000 0.263 337 G HA3 -0.396 3.586 3.960 0.036 0.000 0.263 337 G C -0.117 174.789 174.900 0.009 0.000 0.989 337 G CA 0.852 45.940 45.100 -0.021 0.000 0.692 337 G HN 0.623 nan 8.290 nan 0.000 0.526 338 Q N 0.663 120.475 119.800 0.019 0.000 2.333 338 Q HA 0.527 4.889 4.340 0.036 0.000 0.265 338 Q C -2.261 173.867 176.000 0.214 0.000 0.989 338 Q CA -2.377 53.480 55.803 0.090 0.000 0.842 338 Q CB 2.498 31.286 28.738 0.083 0.000 1.262 338 Q HN 0.245 nan 8.270 nan 0.000 0.451 339 P HA -0.055 nan 4.420 nan 0.000 0.272 339 P C -0.685 176.760 177.300 0.241 0.000 1.223 339 P CA -0.436 62.786 63.100 0.203 0.000 0.784 339 P CB 0.717 32.477 31.700 0.101 0.000 0.923 340 L N 3.365 124.672 121.223 0.141 0.000 2.448 340 L HA 0.206 4.568 4.340 0.036 0.000 0.278 340 L C 0.509 177.274 176.870 -0.174 0.000 1.201 340 L CA 0.277 54.965 54.840 -0.253 0.000 1.036 340 L CB -1.294 40.534 42.059 -0.385 0.000 1.325 340 L HN 0.342 nan 8.230 nan 0.000 0.441 341 R N 4.802 125.224 120.500 -0.131 0.000 2.534 341 R HA 0.730 5.092 4.340 0.036 0.000 0.301 341 R C -1.516 174.732 176.300 -0.088 0.000 0.961 341 R CA -0.638 55.418 56.100 -0.074 0.000 0.871 341 R CB 1.106 31.397 30.300 -0.015 0.000 1.170 341 R HN 0.610 nan 8.270 nan 0.000 0.446 342 I N 2.616 123.140 120.570 -0.076 0.000 2.499 342 I HA 0.250 4.441 4.170 0.036 0.000 0.288 342 I C -0.438 175.663 176.117 -0.026 0.000 1.048 342 I CA -0.680 60.581 61.300 -0.065 0.000 1.062 342 I CB 2.141 40.086 38.000 -0.092 0.000 1.238 342 I HN 0.587 nan 8.210 nan 0.000 0.426 343 E N 5.757 125.955 120.200 -0.003 0.000 2.229 343 E HA 0.328 4.699 4.350 0.036 0.000 0.283 343 E C -1.419 175.204 176.600 0.039 0.000 1.030 343 E CA -0.751 55.664 56.400 0.025 0.000 0.836 343 E CB 1.329 31.049 29.700 0.034 0.000 1.068 343 E HN 0.392 nan 8.360 nan 0.000 0.401 344 L N 4.941 126.198 121.223 0.057 0.000 2.295 344 L HA 0.301 4.663 4.340 0.036 0.000 0.281 344 L C -0.922 176.058 176.870 0.184 0.000 1.018 344 L CA -0.357 54.523 54.840 0.066 0.000 0.841 344 L CB 1.061 43.130 42.059 0.016 0.000 1.218 344 L HN 0.455 nan 8.230 nan 0.000 0.424 345 S N 4.648 120.435 115.700 0.145 0.000 2.462 345 S HA 0.861 5.353 4.470 0.036 0.000 0.294 345 S C -0.468 174.264 174.600 0.220 0.000 1.144 345 S CA -0.579 57.691 58.200 0.117 0.000 1.088 345 S CB 0.960 64.194 63.200 0.057 0.000 1.009 345 S HN 0.551 nan 8.310 nan 0.000 0.484 346 F N -0.746 119.261 119.950 0.096 0.000 2.685 346 F HA 0.664 5.212 4.527 0.035 0.000 0.315 346 F C -1.153 174.697 175.800 0.083 0.000 1.126 346 F CA -1.799 56.293 58.000 0.152 0.000 0.950 346 F CB 0.710 39.881 39.000 0.284 0.000 1.360 346 F HN 0.431 nan 8.300 nan 0.000 0.469 347 I N 2.497 123.192 120.570 0.208 0.000 2.494 347 I HA 0.161 4.352 4.170 0.036 0.000 0.289 347 I C 1.493 177.662 176.117 0.086 0.000 1.106 347 I CA 0.366 61.705 61.300 0.065 0.000 1.369 347 I CB 0.836 38.888 38.000 0.088 0.000 1.410 347 I HN 1.029 nan 8.210 nan 0.000 0.523 348 G N 3.984 112.717 108.800 -0.112 0.000 2.442 348 G HA2 -0.268 3.714 3.960 0.036 0.000 0.219 348 G HA3 -0.268 3.714 3.960 0.036 0.000 0.219 348 G C 1.497 176.452 174.900 0.092 0.000 1.141 348 G CA 1.302 46.365 45.100 -0.062 0.000 0.763 348 G HN 0.674 nan 8.290 nan 0.000 0.554 349 T N -2.129 112.456 114.554 0.051 0.000 3.118 349 T HA 0.069 4.441 4.350 0.036 0.000 0.260 349 T C 0.613 175.344 174.700 0.050 0.000 1.139 349 T CA 0.525 62.650 62.100 0.043 0.000 1.085 349 T CB 0.094 68.971 68.868 0.016 0.000 0.934 349 T HN 0.184 nan 8.240 nan 0.000 0.518 350 D N 0.890 121.340 120.400 0.082 0.000 2.365 350 D HA 0.600 5.262 4.640 0.036 0.000 0.237 350 D C 1.274 177.581 176.300 0.011 0.000 1.190 350 D CA 0.046 54.067 54.000 0.036 0.000 0.867 350 D CB 0.834 41.648 40.800 0.023 0.000 1.050 350 D HN 0.164 nan 8.370 nan 0.000 0.491 351 A N 4.626 127.435 122.820 -0.018 0.000 1.908 351 A HA -0.158 4.184 4.320 0.036 0.000 0.218 351 A C 2.028 179.554 177.584 -0.096 0.000 1.181 351 A CA 0.813 52.828 52.037 -0.035 0.000 0.627 351 A CB -0.567 18.417 19.000 -0.027 0.000 0.818 351 A HN 0.695 nan 8.150 nan 0.000 0.445 352 L N -0.443 120.704 121.223 -0.126 0.000 2.072 352 L HA -0.114 4.248 4.340 0.036 0.000 0.205 352 L C 2.594 179.261 176.870 -0.339 0.000 1.079 352 L CA 1.890 56.618 54.840 -0.186 0.000 0.752 352 L CB -0.532 41.427 42.059 -0.165 0.000 0.906 352 L HN 0.390 nan 8.230 nan 0.000 0.436 353 S N -0.057 115.390 115.700 -0.422 0.000 2.370 353 S HA -0.269 4.223 4.470 0.036 0.000 0.226 353 S C 1.867 176.059 174.600 -0.679 0.000 1.033 353 S CA 1.810 59.551 58.200 -0.764 0.000 1.011 353 S CB -0.164 62.756 63.200 -0.466 0.000 0.852 353 S HN 0.365 nan 8.310 nan 0.000 0.457 354 K N 1.005 121.112 120.400 -0.487 0.000 2.057 354 K HA -0.053 4.289 4.320 0.036 0.000 0.206 354 K C 2.239 178.639 176.600 -0.335 0.000 1.050 354 K CA 1.484 57.449 56.287 -0.537 0.000 0.935 354 K CB -0.199 32.227 32.500 -0.122 0.000 0.715 354 K HN 0.221 nan 8.250 nan 0.000 0.439 355 S N 1.067 116.629 115.700 -0.231 0.000 2.356 355 S HA -0.140 4.352 4.470 0.036 0.000 0.223 355 S C 1.921 176.424 174.600 -0.163 0.000 1.032 355 S CA 1.667 59.767 58.200 -0.165 0.000 1.005 355 S CB -0.189 62.927 63.200 -0.140 0.000 0.867 355 S HN 0.323 nan 8.310 nan 0.000 0.449 356 M N 1.181 120.665 119.600 -0.194 0.000 2.159 356 M HA -0.070 4.431 4.480 0.036 0.000 0.263 356 M C 2.545 178.862 176.300 0.027 0.000 1.063 356 M CA 1.348 56.597 55.300 -0.084 0.000 1.110 356 M CB -0.659 31.889 32.600 -0.087 0.000 1.374 356 M HN 0.400 nan 8.290 nan 0.000 0.411 357 A N 0.617 123.432 122.820 -0.008 0.000 1.902 357 A HA -0.186 4.155 4.320 0.036 0.000 0.217 357 A C 1.929 179.474 177.584 -0.064 0.000 1.181 357 A CA 1.809 53.832 52.037 -0.023 0.000 0.623 357 A CB -0.692 18.121 19.000 -0.311 0.000 0.818 357 A HN 0.536 nan 8.150 nan 0.000 0.443 358 E N -0.403 119.739 120.200 -0.097 0.000 2.077 358 E HA -0.158 4.214 4.350 0.036 0.000 0.193 358 E C 1.882 178.454 176.600 -0.046 0.000 0.989 358 E CA 1.249 57.615 56.400 -0.058 0.000 0.800 358 E CB -0.291 29.372 29.700 -0.061 0.000 0.746 358 E HN 0.706 nan 8.360 nan 0.000 0.452 359 I N 0.848 121.385 120.570 -0.056 0.000 2.179 359 I HA -0.270 3.922 4.170 0.036 0.000 0.242 359 I C 2.318 178.410 176.117 -0.042 0.000 1.088 359 I CA 1.025 62.292 61.300 -0.055 0.000 1.357 359 I CB -0.164 37.792 38.000 -0.073 0.000 1.051 359 I HN 0.104 nan 8.210 nan 0.000 0.409 360 I N 0.267 120.819 120.570 -0.030 0.000 2.226 360 I HA -0.343 3.849 4.170 0.036 0.000 0.245 360 I C 2.700 178.801 176.117 -0.028 0.000 1.100 360 I CA 1.417 62.700 61.300 -0.029 0.000 1.374 360 I CB -0.434 37.546 38.000 -0.034 0.000 1.057 360 I HN 0.355 nan 8.210 nan 0.000 0.413 361 Q N 1.147 120.933 119.800 -0.024 0.000 2.096 361 Q HA -0.268 4.093 4.340 0.036 0.000 0.204 361 Q C 2.289 178.282 176.000 -0.012 0.000 0.982 361 Q CA 2.212 58.006 55.803 -0.016 0.000 0.850 361 Q CB -0.114 28.620 28.738 -0.005 0.000 0.901 361 Q HN 0.561 nan 8.270 nan 0.000 0.422 362 A N 0.763 123.574 122.820 -0.014 0.000 1.898 362 A HA -0.190 4.152 4.320 0.036 0.000 0.216 362 A C 1.688 179.272 177.584 -0.000 0.000 1.181 362 A CA 1.618 53.650 52.037 -0.009 0.000 0.620 362 A CB -0.553 18.438 19.000 -0.016 0.000 0.819 362 A HN 0.460 nan 8.150 nan 0.000 0.442 363 D N -0.383 120.016 120.400 -0.002 0.000 2.123 363 D HA -0.142 4.519 4.640 0.036 0.000 0.196 363 D C 1.893 178.211 176.300 0.031 0.000 0.992 363 D CA 1.270 55.284 54.000 0.024 0.000 0.833 363 D CB -0.249 40.563 40.800 0.020 0.000 0.954 363 D HN 0.263 nan 8.370 nan 0.000 0.455 364 M N 0.179 119.783 119.600 0.007 0.000 2.319 364 M HA -0.003 4.498 4.480 0.036 0.000 0.265 364 M C 1.886 178.182 176.300 -0.007 0.000 1.068 364 M CA 0.673 55.970 55.300 -0.005 0.000 1.118 364 M CB -0.610 31.973 32.600 -0.028 0.000 1.395 364 M HN -0.060 nan 8.290 nan 0.000 0.435 365 R N 0.653 121.151 120.500 -0.002 0.000 2.117 365 R HA -0.121 4.240 4.340 0.036 0.000 0.243 365 R C 1.892 178.197 176.300 0.008 0.000 1.143 365 R CA 1.049 57.150 56.100 0.001 0.000 0.968 365 R CB -0.703 29.599 30.300 0.004 0.000 0.863 365 R HN 0.528 nan 8.270 nan 0.000 0.444 366 Q N 0.310 120.120 119.800 0.018 0.000 2.364 366 Q HA -0.048 4.314 4.340 0.036 0.000 0.207 366 Q C 1.843 177.853 176.000 0.018 0.000 0.970 366 Q CA 0.876 56.693 55.803 0.025 0.000 0.888 366 Q CB 0.083 28.848 28.738 0.046 0.000 0.951 366 Q HN 0.552 nan 8.270 nan 0.000 0.469 367 I N -5.147 115.430 120.570 0.011 0.000 4.025 367 I HA 0.446 4.638 4.170 0.036 0.000 0.336 367 I C 0.778 176.893 176.117 -0.004 0.000 1.390 367 I CA 0.332 61.633 61.300 0.002 0.000 1.099 367 I CB 0.486 38.486 38.000 -0.001 0.000 1.049 367 I HN 0.049 nan 8.210 nan 0.000 0.394 368 G N 1.576 110.375 108.800 -0.002 0.000 2.137 368 G HA2 -0.113 3.869 3.960 0.036 0.000 0.237 368 G HA3 -0.113 3.869 3.960 0.036 0.000 0.237 368 G C 0.134 175.021 174.900 -0.020 0.000 1.002 368 G CA -0.035 45.066 45.100 0.002 0.000 0.702 368 G HN 0.974 nan 8.290 nan 0.000 0.515 369 A N -0.177 122.618 122.820 -0.043 0.000 2.330 369 A HA 0.669 5.010 4.320 0.036 0.000 0.327 369 A C -0.421 177.130 177.584 -0.055 0.000 1.155 369 A CA -0.066 51.921 52.037 -0.082 0.000 0.803 369 A CB 1.301 20.230 19.000 -0.119 0.000 1.208 369 A HN 0.370 nan 8.150 nan 0.000 0.477 370 D N 2.678 123.043 120.400 -0.057 0.000 2.456 370 D HA 0.360 5.022 4.640 0.036 0.000 0.219 370 D C -0.688 175.590 176.300 -0.038 0.000 1.126 370 D CA 0.039 54.019 54.000 -0.032 0.000 0.890 370 D CB 0.778 41.568 40.800 -0.016 0.000 1.025 370 D HN 0.129 nan 8.370 nan 0.000 0.511 371 V N 3.449 123.346 119.914 -0.029 0.000 2.408 371 V HA 0.186 4.327 4.120 0.036 0.000 0.267 371 V C 0.639 176.737 176.094 0.006 0.000 1.047 371 V CA -0.441 61.846 62.300 -0.021 0.000 0.937 371 V CB 1.049 32.856 31.823 -0.027 0.000 0.999 371 V HN 0.568 nan 8.190 nan 0.000 0.472 372 S N 6.653 122.363 115.700 0.016 0.000 2.438 372 S HA 0.583 5.075 4.470 0.036 0.000 0.293 372 S C -0.509 174.136 174.600 0.075 0.000 1.141 372 S CA -0.694 57.529 58.200 0.038 0.000 1.080 372 S CB 0.233 63.449 63.200 0.026 0.000 0.978 372 S HN 0.554 nan 8.310 nan 0.000 0.479 373 L N 5.676 126.967 121.223 0.115 0.000 2.292 373 L HA 0.541 4.903 4.340 0.036 0.000 0.284 373 L C -0.470 176.502 176.870 0.171 0.000 1.065 373 L CA -0.673 54.306 54.840 0.232 0.000 0.806 373 L CB 0.957 43.206 42.059 0.316 0.000 1.175 373 L HN 0.520 nan 8.230 nan 0.000 0.431 374 I N 3.047 123.687 120.570 0.117 0.000 2.476 374 I HA 0.300 4.492 4.170 0.036 0.000 0.281 374 I C 0.436 176.289 176.117 -0.440 0.000 1.040 374 I CA -0.186 61.063 61.300 -0.085 0.000 1.094 374 I CB 1.494 39.469 38.000 -0.042 0.000 1.219 374 I HN 0.575 nan 8.210 nan 0.000 0.450 375 G N 5.640 114.073 108.800 -0.612 0.000 2.338 375 G HA2 0.636 4.618 3.960 0.036 0.000 0.298 375 G HA3 0.636 4.618 3.960 0.036 0.000 0.298 375 G C -0.320 174.324 174.900 -0.427 0.000 1.140 375 G CA -0.144 44.378 45.100 -0.963 0.000 0.860 375 G HN 0.624 nan 8.290 nan 0.000 0.470 376 E N 0.915 120.905 120.200 -0.349 0.000 2.450 376 E HA 0.219 4.591 4.350 0.036 0.000 0.272 376 E C -0.640 175.890 176.600 -0.116 0.000 0.967 376 E CA -0.881 55.416 56.400 -0.172 0.000 0.818 376 E CB 1.984 31.612 29.700 -0.120 0.000 1.401 376 E HN 0.533 nan 8.360 nan 0.000 0.450 377 E N 1.230 121.388 120.200 -0.070 0.000 2.415 377 E HA -0.080 4.292 4.350 0.036 0.000 0.262 377 E C 0.615 177.196 176.600 -0.032 0.000 1.038 377 E CA 0.262 56.636 56.400 -0.043 0.000 0.921 377 E CB 0.753 30.435 29.700 -0.031 0.000 0.950 377 E HN 0.568 nan 8.360 nan 0.000 0.438 378 E N 1.928 122.118 120.200 -0.017 0.000 2.147 378 E HA -0.273 4.099 4.350 0.036 0.000 0.199 378 E C 1.798 178.395 176.600 -0.004 0.000 1.005 378 E CA 1.898 58.295 56.400 -0.004 0.000 0.810 378 E CB 0.079 29.781 29.700 0.002 0.000 0.736 378 E HN 0.561 nan 8.360 nan 0.000 0.460 379 S N -0.301 115.394 115.700 -0.009 0.000 2.383 379 S HA -0.191 4.301 4.470 0.036 0.000 0.229 379 S C 2.174 176.770 174.600 -0.007 0.000 1.030 379 S CA 1.453 59.648 58.200 -0.008 0.000 1.002 379 S CB -0.384 62.810 63.200 -0.011 0.000 0.829 379 S HN 0.220 nan 8.310 nan 0.000 0.467 380 S N 0.800 116.494 115.700 -0.011 0.000 2.387 380 S HA 0.138 4.630 4.470 0.036 0.000 0.226 380 S C 1.026 175.628 174.600 0.003 0.000 1.026 380 S CA 0.117 58.312 58.200 -0.007 0.000 0.972 380 S CB -0.557 62.632 63.200 -0.018 0.000 0.814 380 S HN 0.383 nan 8.310 nan 0.000 0.477 384 R N 0.640 121.185 120.500 0.076 0.000 2.091 384 R HA -0.138 4.224 4.340 0.036 0.000 0.238 384 R C 2.250 178.711 176.300 0.267 0.000 1.136 384 R CA 1.971 58.163 56.100 0.153 0.000 0.959 384 R CB -0.267 30.128 30.300 0.159 0.000 0.856 384 R HN 0.716 nan 8.270 nan 0.000 0.437 385 Q N -0.000 119.895 119.800 0.159 0.000 2.084 385 Q HA -0.153 4.209 4.340 0.036 0.000 0.202 385 Q C 2.146 178.264 176.000 0.196 0.000 0.978 385 Q CA 1.395 57.285 55.803 0.145 0.000 0.844 385 Q CB -0.077 28.658 28.738 -0.006 0.000 0.898 385 Q HN 0.319 nan 8.270 nan 0.000 0.426 386 R N 0.394 120.953 120.500 0.098 0.000 2.092 386 R HA -0.115 4.247 4.340 0.036 0.000 0.231 386 R C 1.271 177.633 176.300 0.103 0.000 1.119 386 R CA 1.320 57.455 56.100 0.058 0.000 0.970 386 R CB 0.040 30.336 30.300 -0.007 0.000 0.864 386 R HN 0.252 nan 8.270 nan 0.000 0.440 387 D N -1.393 119.072 120.400 0.108 0.000 2.346 387 D HA 0.078 4.740 4.640 0.036 0.000 0.206 387 D C 1.108 177.436 176.300 0.047 0.000 1.001 387 D CA 0.986 55.030 54.000 0.074 0.000 0.871 387 D CB 0.480 41.311 40.800 0.051 0.000 0.943 387 D HN 0.374 nan 8.370 nan 0.000 0.518 388 G N 1.407 110.249 108.800 0.069 0.000 2.143 388 G HA2 -0.354 3.628 3.960 0.036 0.000 0.248 388 G HA3 -0.354 3.628 3.960 0.036 0.000 0.248 388 G C 0.433 175.118 174.900 -0.360 0.000 0.991 388 G CA -0.265 44.693 45.100 -0.236 0.000 0.689 388 G HN 0.299 nan 8.290 nan 0.000 0.522 389 R N 0.099 120.559 120.500 -0.066 0.000 4.164 389 R HA 0.486 4.848 4.340 0.036 0.000 0.195 389 R C -0.094 176.260 176.300 0.089 0.000 1.712 389 R CA 0.349 56.432 56.100 -0.030 0.000 1.457 389 R CB -0.603 29.714 30.300 0.029 0.000 1.387 389 R HN 0.579 nan 8.270 nan 0.000 0.785 390 F N -4.219 115.719 119.950 -0.019 0.000 2.678 390 F HA 0.537 5.086 4.527 0.038 0.000 0.308 390 F C 0.479 176.258 175.800 -0.036 0.000 1.118 390 F CA -1.315 56.671 58.000 -0.024 0.000 0.959 390 F CB 0.605 39.592 39.000 -0.021 0.000 1.305 390 F HN -0.004 nan 8.300 nan 0.000 0.443 391 G N 1.086 109.991 108.800 0.175 0.000 2.524 391 G HA2 0.345 4.327 3.960 0.036 0.000 0.210 391 G HA3 0.345 4.327 3.960 0.036 0.000 0.210 391 G C -0.076 174.939 174.900 0.191 0.000 1.187 391 G CA -0.009 45.142 45.100 0.086 0.000 0.825 391 G HN 0.502 nan 8.290 nan 0.000 0.558 392 M N 0.635 120.332 119.600 0.160 0.000 2.518 392 M HA 0.569 5.071 4.480 0.036 0.000 0.300 392 M C -1.286 174.983 176.300 -0.051 0.000 1.175 392 M CA -0.695 54.637 55.300 0.054 0.000 0.890 392 M CB 2.866 35.422 32.600 -0.074 0.000 1.710 392 M HN 0.261 nan 8.290 nan 0.000 0.453 393 I N -1.950 118.496 120.570 -0.206 0.000 2.769 393 I HA 0.626 4.818 4.170 0.036 0.000 0.298 393 I C -1.224 174.753 176.117 -0.233 0.000 1.128 393 I CA -0.885 60.258 61.300 -0.262 0.000 1.031 393 I CB 1.852 39.573 38.000 -0.466 0.000 1.235 393 I HN 0.473 nan 8.210 nan 0.000 0.423 394 F N 2.727 122.685 119.950 0.013 0.000 2.506 394 F HA 0.422 4.972 4.527 0.038 0.000 0.351 394 F C 0.361 176.235 175.800 0.123 0.000 1.136 394 F CA 0.893 58.923 58.000 0.049 0.000 1.298 394 F CB 0.383 39.406 39.000 0.037 0.000 1.145 394 F HN 0.593 nan 8.300 nan 0.000 0.593 395 H N 1.569 120.752 119.070 0.188 0.000 3.064 395 H HA 0.562 5.141 4.556 0.037 0.000 0.352 395 H C -1.280 174.106 175.328 0.097 0.000 1.260 395 H CA -1.108 55.017 56.048 0.129 0.000 1.160 395 H CB 1.338 31.179 29.762 0.132 0.000 1.879 395 H HN 0.589 nan 8.280 nan 0.000 0.544 396 R N 1.065 121.407 120.500 -0.263 0.000 2.795 396 R HA 0.441 4.803 4.340 0.036 0.000 0.275 396 R C -0.310 175.779 176.300 -0.352 0.000 0.981 396 R CA -0.757 55.193 56.100 -0.249 0.000 0.917 396 R CB 2.076 32.299 30.300 -0.128 0.000 1.202 396 R HN 0.796 nan 8.270 nan 0.000 0.469 397 T N -1.712 112.581 114.554 -0.435 0.000 2.732 397 T HA 0.332 4.704 4.350 0.036 0.000 0.287 397 T C 1.000 175.611 174.700 -0.148 0.000 0.993 397 T CA -0.024 61.807 62.100 -0.448 0.000 0.966 397 T CB 1.211 69.708 68.868 -0.618 0.000 1.047 397 T HN 0.637 nan 8.240 nan 0.000 0.527 398 A N -0.593 122.191 122.820 -0.060 0.000 2.197 398 A HA 0.662 5.004 4.320 0.036 0.000 0.210 398 A C 1.611 179.154 177.584 -0.068 0.000 1.180 398 A CA 0.741 52.752 52.037 -0.042 0.000 0.846 398 A CB -1.193 17.800 19.000 -0.012 0.000 0.884 398 A HN 2.009 nan 8.150 nan 0.000 0.487 399 G N -0.593 108.168 108.800 -0.065 0.000 2.552 399 G HA2 0.166 4.147 3.960 0.036 0.000 0.265 399 G HA3 0.166 4.147 3.960 0.036 0.000 0.265 399 G C 1.031 175.851 174.900 -0.134 0.000 1.234 399 G CA 1.279 46.328 45.100 -0.085 0.000 0.944 399 G HN 2.244 nan 8.290 nan 0.000 0.568 400 A N -1.307 121.420 122.820 -0.156 0.000 5.778 400 A HA -0.063 4.279 4.320 0.036 0.000 0.313 400 A C 0.039 177.367 177.584 -0.427 0.000 1.849 400 A CA 3.432 55.321 52.037 -0.246 0.000 0.746 400 A CB -1.795 17.075 19.000 -0.217 0.000 1.308 400 A HN 1.768 nan 8.150 nan 0.000 0.397 401 P HA 0.253 nan 4.420 nan 0.000 0.245 401 P C 1.144 178.276 177.300 -0.280 0.000 1.206 401 P CA 1.548 64.155 63.100 -0.821 0.000 0.781 401 P CB -0.174 30.922 31.700 -1.008 0.000 0.994 402 A N -0.120 122.576 122.820 -0.207 0.000 1.930 402 A HA -0.068 4.274 4.320 0.036 0.000 0.217 402 A C 1.014 178.359 177.584 -0.398 0.000 1.175 402 A CA 1.187 53.098 52.037 -0.209 0.000 0.627 402 A CB -0.802 18.113 19.000 -0.141 0.000 0.815 402 A HN 0.128 nan 8.150 nan 0.000 0.443 403 D N -1.053 119.209 120.400 -0.230 0.000 2.294 403 D HA 0.326 4.988 4.640 0.036 0.000 0.250 403 D C -1.656 174.472 176.300 -0.288 0.000 1.058 403 D CA -1.756 52.105 54.000 -0.231 0.000 0.950 403 D CB 0.804 41.527 40.800 -0.129 0.000 1.158 403 D HN 0.045 nan 8.370 nan 0.000 0.453 404 P HA -0.100 nan 4.420 nan 0.000 0.231 404 P C 1.207 178.491 177.300 -0.028 0.000 1.168 404 P CA 0.917 63.677 63.100 -0.567 0.000 0.779 404 P CB 0.017 31.179 31.700 -0.896 0.000 0.844 405 H N 0.557 119.670 119.070 0.071 0.000 2.353 405 H HA 0.001 4.579 4.556 0.036 0.000 0.300 405 H C 1.644 177.113 175.328 0.235 0.000 1.090 405 H CA 1.608 57.786 56.048 0.218 0.000 1.327 405 H CB -1.010 28.848 29.762 0.159 0.000 1.383 405 H HN 0.040 nan 8.280 nan 0.000 0.508 406 A N 1.099 123.631 122.820 -0.481 0.000 1.898 406 A HA -0.096 4.245 4.320 0.036 0.000 0.216 406 A C 2.423 180.067 177.584 0.100 0.000 1.181 406 A CA 1.088 53.044 52.037 -0.135 0.000 0.620 406 A CB -1.233 17.643 19.000 -0.207 0.000 0.819 406 A HN 0.431 nan 8.150 nan 0.000 0.442 407 F N -0.128 119.840 119.950 0.031 0.000 2.134 407 F HA -0.121 4.427 4.527 0.035 0.000 0.299 407 F C 1.833 177.743 175.800 0.183 0.000 1.097 407 F CA 1.387 59.465 58.000 0.130 0.000 1.264 407 F CB -0.057 39.083 39.000 0.233 0.000 1.001 407 F HN 0.150 nan 8.300 nan 0.000 0.479 408 L N -0.445 120.986 121.223 0.348 0.000 2.027 408 L HA -0.173 4.189 4.340 0.036 0.000 0.206 408 L C 2.769 179.727 176.870 0.145 0.000 1.074 408 L CA 1.850 56.855 54.840 0.274 0.000 0.745 408 L CB -1.417 40.863 42.059 0.368 0.000 0.898 408 L HN 0.178 nan 8.230 nan 0.000 0.433 409 S N -1.092 114.704 115.700 0.160 0.000 2.372 409 S HA -0.246 4.246 4.470 0.036 0.000 0.227 409 S C 2.168 176.759 174.600 -0.015 0.000 1.044 409 S CA 1.948 60.217 58.200 0.115 0.000 1.050 409 S CB -0.229 63.087 63.200 0.193 0.000 0.901 409 S HN 0.509 nan 8.310 nan 0.000 0.447 410 S N 0.916 116.555 115.700 -0.102 0.000 2.474 410 S HA 0.091 4.582 4.470 0.036 0.000 0.235 410 S C 1.679 176.169 174.600 -0.183 0.000 0.997 410 S CA 0.910 58.929 58.200 -0.301 0.000 0.949 410 S CB -0.306 62.716 63.200 -0.297 0.000 0.766 410 S HN 0.537 nan 8.310 nan 0.000 0.517 411 M N 1.187 120.755 119.600 -0.055 0.000 2.279 411 M HA -0.111 4.391 4.480 0.036 0.000 0.264 411 M C 1.915 178.343 176.300 0.214 0.000 1.062 411 M CA 1.236 56.583 55.300 0.078 0.000 1.099 411 M CB -0.287 32.373 32.600 0.101 0.000 1.394 411 M HN 0.304 nan 8.290 nan 0.000 0.426 412 R N -0.345 120.241 120.500 0.142 0.000 2.393 412 R HA 0.283 4.645 4.340 0.036 0.000 0.244 412 R C -0.454 175.901 176.300 0.091 0.000 0.920 412 R CA -0.134 56.097 56.100 0.218 0.000 1.076 412 R CB -0.048 30.334 30.300 0.136 0.000 1.119 412 R HN 0.084 nan 8.270 nan 0.000 0.524 413 V N 3.062 122.914 119.914 -0.103 0.000 2.370 413 V HA 0.339 4.481 4.120 0.036 0.000 0.283 413 V C -2.234 173.525 176.094 -0.557 0.000 1.023 413 V CA -2.708 59.403 62.300 -0.314 0.000 0.857 413 V CB 1.655 33.294 31.823 -0.307 0.000 0.985 413 V HN 0.045 nan 8.190 nan 0.000 0.443 414 P HA 0.077 nan 4.420 nan 0.000 0.269 414 P C 0.505 177.665 177.300 -0.234 0.000 1.211 414 P CA 0.513 62.987 63.100 -1.044 0.000 0.781 414 P CB 0.358 31.696 31.700 -0.604 0.000 0.877 415 S N -1.887 113.752 115.700 -0.101 0.000 3.593 415 S HA -0.184 4.308 4.470 0.036 0.000 0.301 415 S C -0.142 174.355 174.600 -0.171 0.000 1.209 415 S CA 0.786 58.947 58.200 -0.066 0.000 0.878 415 S CB -2.494 60.632 63.200 -0.123 0.000 1.000 415 S HN 0.661 nan 8.310 nan 0.000 0.578 416 H N -1.060 118.047 119.070 0.061 0.000 2.637 416 H HA 0.728 5.305 4.556 0.036 0.000 0.363 416 H C 0.917 176.344 175.328 0.165 0.000 1.131 416 H CA 0.010 56.113 56.048 0.092 0.000 1.183 416 H CB 1.159 30.959 29.762 0.063 0.000 1.637 416 H HN 0.133 nan 8.280 nan 0.000 0.531 417 A N 1.834 124.771 122.820 0.195 0.000 1.917 417 A HA -0.226 4.116 4.320 0.036 0.000 0.219 417 A C 1.655 179.328 177.584 0.148 0.000 1.182 417 A CA 2.207 54.309 52.037 0.108 0.000 0.633 417 A CB -0.290 18.569 19.000 -0.235 0.000 0.819 417 A HN 0.819 nan 8.150 nan 0.000 0.448 418 D N -1.528 118.940 120.400 0.113 0.000 2.149 418 D HA -0.097 4.565 4.640 0.036 0.000 0.201 418 D C 1.695 178.103 176.300 0.180 0.000 0.972 418 D CA 1.206 55.288 54.000 0.136 0.000 0.835 418 D CB -0.333 40.503 40.800 0.059 0.000 0.966 418 D HN 0.517 nan 8.370 nan 0.000 0.476 419 F N 2.181 122.178 119.950 0.079 0.000 2.095 419 F HA -0.240 4.309 4.527 0.036 0.000 0.298 419 F C 2.440 178.276 175.800 0.061 0.000 1.104 419 F CA 1.479 59.520 58.000 0.068 0.000 1.232 419 F CB 0.027 39.079 39.000 0.087 0.000 0.987 419 F HN -0.183 nan 8.300 nan 0.000 0.475 420 Q N 0.485 120.407 119.800 0.203 0.000 2.084 420 Q HA -0.151 4.211 4.340 0.036 0.000 0.202 420 Q C 2.540 178.495 176.000 -0.075 0.000 0.978 420 Q CA 1.470 57.295 55.803 0.037 0.000 0.844 420 Q CB -1.005 27.833 28.738 0.166 0.000 0.898 420 Q HN 0.567 nan 8.270 nan 0.000 0.426 421 A N 1.006 123.872 122.820 0.077 0.000 1.978 421 A HA -0.195 4.147 4.320 0.036 0.000 0.220 421 A C 1.800 179.318 177.584 -0.109 0.000 1.170 421 A CA 1.326 53.380 52.037 0.029 0.000 0.636 421 A CB -0.308 18.760 19.000 0.113 0.000 0.810 421 A HN 0.384 nan 8.150 nan 0.000 0.448 422 Q N -0.911 118.811 119.800 -0.131 0.000 2.320 422 Q HA 0.049 4.411 4.340 0.036 0.000 0.201 422 Q C 1.352 177.230 176.000 -0.204 0.000 0.910 422 Q CA -0.117 55.593 55.803 -0.155 0.000 0.946 422 Q CB 0.224 28.900 28.738 -0.103 0.000 1.062 422 Q HN 0.590 nan 8.270 nan 0.000 0.503 423 Q N -0.484 119.161 119.800 -0.258 0.000 2.291 423 Q HA -0.066 4.296 4.340 0.036 0.000 0.205 423 Q C 1.729 177.625 176.000 -0.173 0.000 0.970 423 Q CA 1.259 56.895 55.803 -0.279 0.000 0.876 423 Q CB -0.014 28.547 28.738 -0.294 0.000 0.935 423 Q HN 0.434 nan 8.270 nan 0.000 0.455 424 G N -0.148 108.569 108.800 -0.139 0.000 2.985 424 G HA2 0.144 4.125 3.960 0.036 0.000 0.209 424 G HA3 0.144 4.125 3.960 0.036 0.000 0.209 424 G C 0.469 175.324 174.900 -0.074 0.000 1.165 424 G CA -0.241 44.801 45.100 -0.097 0.000 0.776 424 G HN 0.128 nan 8.290 nan 0.000 0.541 425 L N 1.121 122.296 121.223 -0.079 0.000 2.319 425 L HA 0.336 4.698 4.340 0.036 0.000 0.280 425 L C 1.834 178.681 176.870 -0.038 0.000 1.099 425 L CA -0.673 54.135 54.840 -0.053 0.000 0.828 425 L CB 1.544 43.573 42.059 -0.050 0.000 1.150 425 L HN 0.116 nan 8.230 nan 0.000 0.442 426 A N 2.556 125.363 122.820 -0.022 0.000 1.978 426 A HA -0.186 4.156 4.320 0.036 0.000 0.220 426 A C 1.413 178.994 177.584 -0.005 0.000 1.170 426 A CA 1.709 53.738 52.037 -0.013 0.000 0.636 426 A CB -0.394 18.603 19.000 -0.005 0.000 0.810 426 A HN 0.899 nan 8.150 nan 0.000 0.448 427 D N -1.093 119.307 120.400 0.001 0.000 2.336 427 D HA 0.055 4.717 4.640 0.036 0.000 0.228 427 D C 1.155 177.463 176.300 0.012 0.000 1.120 427 D CA 0.330 54.338 54.000 0.013 0.000 0.839 427 D CB 0.086 40.900 40.800 0.025 0.000 0.932 427 D HN 0.262 nan 8.370 nan 0.000 0.509 428 K N 1.612 122.008 120.400 -0.006 0.000 2.032 428 K HA -0.085 4.257 4.320 0.036 0.000 0.209 428 K C -0.855 175.752 176.600 0.013 0.000 1.048 428 K CA 1.323 57.602 56.287 -0.013 0.000 0.927 428 K CB -1.245 31.216 32.500 -0.065 0.000 0.712 428 K HN 0.128 nan 8.250 nan 0.000 0.441 429 P HA -0.135 nan 4.420 nan 0.000 0.216 429 P C 1.275 178.598 177.300 0.039 0.000 1.150 429 P CA 0.938 64.058 63.100 0.032 0.000 0.837 429 P CB -0.019 31.697 31.700 0.026 0.000 0.786 430 L N -0.846 120.398 121.223 0.035 0.000 2.056 430 L HA -0.106 4.256 4.340 0.036 0.000 0.207 430 L C 2.180 179.079 176.870 0.048 0.000 1.078 430 L CA 1.673 56.536 54.840 0.039 0.000 0.749 430 L CB -1.149 40.931 42.059 0.035 0.000 0.901 430 L HN -0.144 nan 8.230 nan 0.000 0.433 431 I N -0.233 120.369 120.570 0.053 0.000 2.163 431 I HA -0.314 3.878 4.170 0.036 0.000 0.243 431 I C 2.058 178.220 176.117 0.075 0.000 1.085 431 I CA 1.558 62.900 61.300 0.070 0.000 1.347 431 I CB -0.554 37.493 38.000 0.078 0.000 1.044 431 I HN 0.281 nan 8.210 nan 0.000 0.408 432 D N 0.669 121.114 120.400 0.075 0.000 2.117 432 D HA -0.205 4.457 4.640 0.036 0.000 0.197 432 D C 2.087 178.431 176.300 0.073 0.000 0.987 432 D CA 1.147 55.200 54.000 0.088 0.000 0.829 432 D CB -0.219 40.645 40.800 0.106 0.000 0.961 432 D HN 0.250 nan 8.370 nan 0.000 0.460 433 K N 0.752 121.188 120.400 0.060 0.000 2.026 433 K HA -0.150 4.192 4.320 0.036 0.000 0.208 433 K C 1.839 178.465 176.600 0.044 0.000 1.048 433 K CA 1.178 57.495 56.287 0.050 0.000 0.929 433 K CB 0.099 32.625 32.500 0.043 0.000 0.713 433 K HN 0.119 nan 8.250 nan 0.000 0.439 434 E N 0.356 120.580 120.200 0.041 0.000 2.106 434 E HA -0.168 4.204 4.350 0.036 0.000 0.192 434 E C 2.062 178.667 176.600 0.008 0.000 0.984 434 E CA 1.135 57.549 56.400 0.024 0.000 0.806 434 E CB -0.066 29.651 29.700 0.028 0.000 0.750 434 E HN 0.377 nan 8.360 nan 0.000 0.458 435 I N 0.868 121.460 120.570 0.037 0.000 2.252 435 I HA -0.177 4.015 4.170 0.036 0.000 0.245 435 I C 2.595 178.741 176.117 0.049 0.000 1.102 435 I CA 1.119 62.445 61.300 0.043 0.000 1.385 435 I CB -0.580 37.475 38.000 0.093 0.000 1.064 435 I HN 0.150 nan 8.210 nan 0.000 0.414 436 G N 0.540 109.376 108.800 0.061 0.000 2.469 436 G HA2 -0.258 3.724 3.960 0.036 0.000 0.219 436 G HA3 -0.258 3.724 3.960 0.036 0.000 0.219 436 G C 1.519 176.458 174.900 0.064 0.000 1.150 436 G CA 0.835 45.977 45.100 0.070 0.000 0.763 436 G HN 0.436 nan 8.290 nan 0.000 0.561 437 E N -0.458 119.766 120.200 0.040 0.000 2.106 437 E HA -0.030 4.342 4.350 0.036 0.000 0.192 437 E C 2.562 179.168 176.600 0.010 0.000 0.984 437 E CA 0.665 57.085 56.400 0.033 0.000 0.806 437 E CB -0.189 29.523 29.700 0.019 0.000 0.750 437 E HN 0.251 nan 8.360 nan 0.000 0.458 438 V N 1.293 121.173 119.914 -0.056 0.000 2.427 438 V HA -0.198 3.944 4.120 0.036 0.000 0.248 438 V C 1.959 178.016 176.094 -0.061 0.000 1.051 438 V CA 1.384 63.584 62.300 -0.166 0.000 1.048 438 V CB -0.159 31.381 31.823 -0.472 0.000 0.666 438 V HN 0.249 nan 8.190 nan 0.000 0.456 439 L N -0.144 121.098 121.223 0.031 0.000 2.217 439 L HA 0.020 4.381 4.340 0.036 0.000 0.211 439 L C 2.315 179.293 176.870 0.181 0.000 1.107 439 L CA 1.323 56.231 54.840 0.114 0.000 0.783 439 L CB -0.549 41.636 42.059 0.210 0.000 0.919 439 L HN 0.395 nan 8.230 nan 0.000 0.442 440 A N -1.658 121.275 122.820 0.189 0.000 2.348 440 A HA 0.087 4.428 4.320 0.036 0.000 0.224 440 A C 1.081 178.881 177.584 0.361 0.000 1.227 440 A CA 0.025 52.223 52.037 0.268 0.000 0.885 440 A CB -0.017 19.087 19.000 0.173 0.000 0.933 440 A HN 0.186 nan 8.150 nan 0.000 0.506 441 T N -1.029 113.650 114.554 0.208 0.000 2.832 441 T HA 0.181 4.553 4.350 0.036 0.000 0.296 441 T C 0.888 175.516 174.700 -0.121 0.000 0.968 441 T CA -0.205 61.946 62.100 0.084 0.000 1.107 441 T CB 0.224 69.101 68.868 0.015 0.000 0.916 441 T HN 0.427 nan 8.240 nan 0.000 0.517 442 H N 3.189 122.055 119.070 -0.341 0.000 2.544 442 H HA 0.125 4.703 4.556 0.036 0.000 0.269 442 H C 0.098 175.253 175.328 -0.289 0.000 0.970 442 H CA 0.297 55.948 56.048 -0.662 0.000 1.219 442 H CB 0.394 29.849 29.762 -0.512 0.000 1.421 442 H HN 0.614 nan 8.280 nan 0.000 0.555 443 D N 0.809 121.129 120.400 -0.132 0.000 2.280 443 D HA -0.026 4.636 4.640 0.036 0.000 0.243 443 D C 1.346 177.593 176.300 -0.089 0.000 1.129 443 D CA -0.220 53.730 54.000 -0.084 0.000 0.848 443 D CB 1.141 41.938 40.800 -0.005 0.000 1.107 443 D HN 0.446 nan 8.370 nan 0.000 0.471 444 E N 1.842 121.986 120.200 -0.093 0.000 2.153 444 E HA -0.199 4.172 4.350 0.036 0.000 0.194 444 E C 0.989 177.586 176.600 -0.005 0.000 0.988 444 E CA 1.377 57.748 56.400 -0.047 0.000 0.811 444 E CB 0.051 29.724 29.700 -0.046 0.000 0.746 444 E HN 0.452 nan 8.360 nan 0.000 0.466 445 T N 0.171 114.722 114.554 -0.005 0.000 2.737 445 T HA -0.169 4.203 4.350 0.036 0.000 0.265 445 T C 1.758 176.468 174.700 0.017 0.000 1.038 445 T CA 1.341 63.447 62.100 0.011 0.000 1.144 445 T CB -0.310 68.564 68.868 0.010 0.000 0.866 445 T HN 0.145 nan 8.240 nan 0.000 0.434 446 Q N 1.221 121.025 119.800 0.007 0.000 2.135 446 Q HA -0.043 4.319 4.340 0.036 0.000 0.204 446 Q C 2.245 178.245 176.000 -0.001 0.000 0.981 446 Q CA 1.603 57.409 55.803 0.005 0.000 0.856 446 Q CB -0.266 28.473 28.738 0.002 0.000 0.902 446 Q HN 0.386 nan 8.270 nan 0.000 0.425 447 R N -0.709 119.792 120.500 0.002 0.000 2.070 447 R HA -0.197 4.165 4.340 0.036 0.000 0.233 447 R C 2.224 178.590 176.300 0.110 0.000 1.137 447 R CA 1.832 57.938 56.100 0.011 0.000 0.945 447 R CB -0.225 30.111 30.300 0.061 0.000 0.845 447 R HN 0.247 nan 8.270 nan 0.000 0.430 448 Q N -0.041 119.839 119.800 0.134 0.000 2.167 448 Q HA -0.041 4.321 4.340 0.036 0.000 0.202 448 Q C 1.713 177.790 176.000 0.128 0.000 0.970 448 Q CA 1.957 57.859 55.803 0.165 0.000 0.855 448 Q CB -0.214 28.579 28.738 0.092 0.000 0.911 448 Q HN 0.418 nan 8.270 nan 0.000 0.438 449 A N -0.021 122.843 122.820 0.074 0.000 1.898 449 A HA -0.094 4.248 4.320 0.036 0.000 0.216 449 A C 2.079 179.697 177.584 0.057 0.000 1.181 449 A CA 1.331 53.402 52.037 0.058 0.000 0.620 449 A CB -0.681 18.341 19.000 0.037 0.000 0.819 449 A HN 0.437 nan 8.150 nan 0.000 0.442 450 L N -2.250 118.986 121.223 0.022 0.000 2.027 450 L HA -0.189 4.173 4.340 0.036 0.000 0.206 450 L C 2.582 179.460 176.870 0.012 0.000 1.074 450 L CA 1.524 56.353 54.840 -0.018 0.000 0.745 450 L CB -0.753 41.244 42.059 -0.104 0.000 0.898 450 L HN 0.476 nan 8.230 nan 0.000 0.433 451 Y N -0.103 120.232 120.300 0.059 0.000 2.128 451 Y HA -0.339 4.233 4.550 0.036 0.000 0.284 451 Y C 2.966 178.911 175.900 0.075 0.000 1.154 451 Y CA 1.535 59.676 58.100 0.067 0.000 1.149 451 Y CB -0.220 38.262 38.460 0.038 0.000 0.976 451 Y HN 0.095 nan 8.280 nan 0.000 0.505 452 R N 0.552 121.182 120.500 0.217 0.000 2.091 452 R HA -0.236 4.126 4.340 0.036 0.000 0.238 452 R C 1.775 178.154 176.300 0.131 0.000 1.136 452 R CA 2.296 58.483 56.100 0.145 0.000 0.959 452 R CB -0.483 29.877 30.300 0.099 0.000 0.856 452 R HN 0.341 nan 8.270 nan 0.000 0.437 453 D N -0.242 120.226 120.400 0.113 0.000 2.097 453 D HA -0.115 4.546 4.640 0.036 0.000 0.197 453 D C 1.917 178.290 176.300 0.122 0.000 0.984 453 D CA 1.478 55.537 54.000 0.099 0.000 0.826 453 D CB 0.046 40.890 40.800 0.072 0.000 0.973 453 D HN 0.311 nan 8.370 nan 0.000 0.460 454 I N 0.019 120.674 120.570 0.142 0.000 2.179 454 I HA -0.231 3.961 4.170 0.036 0.000 0.242 454 I C 2.284 178.532 176.117 0.219 0.000 1.088 454 I CA 0.780 62.183 61.300 0.171 0.000 1.357 454 I CB -0.189 37.922 38.000 0.186 0.000 1.051 454 I HN 0.112 nan 8.210 nan 0.000 0.409 455 L N -0.274 121.098 121.223 0.249 0.000 2.141 455 L HA -0.152 4.209 4.340 0.036 0.000 0.209 455 L C 2.568 179.575 176.870 0.229 0.000 1.094 455 L CA 1.267 56.270 54.840 0.271 0.000 0.763 455 L CB -0.858 41.367 42.059 0.276 0.000 0.908 455 L HN 0.264 nan 8.230 nan 0.000 0.437 456 T N -0.689 113.971 114.554 0.177 0.000 2.777 456 T HA -0.141 4.231 4.350 0.036 0.000 0.266 456 T C 2.050 176.862 174.700 0.187 0.000 1.040 456 T CA 1.068 63.266 62.100 0.163 0.000 1.141 456 T CB -0.107 68.829 68.868 0.113 0.000 0.868 456 T HN 0.264 nan 8.240 nan 0.000 0.444 457 R N 0.506 121.100 120.500 0.156 0.000 2.091 457 R HA 0.023 4.384 4.340 0.036 0.000 0.238 457 R C 2.442 178.828 176.300 0.144 0.000 1.136 457 R CA 1.147 57.326 56.100 0.131 0.000 0.959 457 R CB -0.541 29.825 30.300 0.109 0.000 0.856 457 R HN 0.352 nan 8.270 nan 0.000 0.437 458 L N -1.025 120.313 121.223 0.192 0.000 2.093 458 L HA -0.177 4.184 4.340 0.036 0.000 0.208 458 L C 2.454 179.448 176.870 0.207 0.000 1.085 458 L CA 1.273 56.237 54.840 0.208 0.000 0.755 458 L CB -0.468 41.788 42.059 0.329 0.000 0.904 458 L HN 0.265 nan 8.230 nan 0.000 0.435 459 H N 0.368 119.524 119.070 0.143 0.000 2.293 459 H HA -0.180 4.397 4.556 0.036 0.000 0.300 459 H C 1.862 177.233 175.328 0.071 0.000 1.082 459 H CA 2.034 58.148 56.048 0.110 0.000 1.308 459 H CB 0.073 29.896 29.762 0.102 0.000 1.375 459 H HN 0.182 nan 8.280 nan 0.000 0.495 460 D N 0.304 120.792 120.400 0.147 0.000 2.182 460 D HA -0.127 4.535 4.640 0.036 0.000 0.201 460 D C 1.462 177.768 176.300 0.010 0.000 0.986 460 D CA 1.289 55.332 54.000 0.072 0.000 0.847 460 D CB -0.164 40.701 40.800 0.109 0.000 0.942 460 D HN 0.640 nan 8.370 nan 0.000 0.467 461 E N -0.232 119.975 120.200 0.012 0.000 2.489 461 E HA 0.288 4.659 4.350 0.036 0.000 0.193 461 E C 0.516 177.084 176.600 -0.054 0.000 1.057 461 E CA 0.304 56.696 56.400 -0.013 0.000 0.866 461 E CB 0.324 30.021 29.700 -0.004 0.000 0.916 461 E HN 0.130 nan 8.360 nan 0.000 0.500 462 A N 0.735 123.505 122.820 -0.083 0.000 2.687 462 A HA -0.210 4.132 4.320 0.036 0.000 0.299 462 A C 1.403 178.907 177.584 -0.133 0.000 1.497 462 A CA 0.564 52.532 52.037 -0.115 0.000 0.751 462 A CB -2.383 16.557 19.000 -0.101 0.000 1.048 462 A HN 0.204 nan 8.150 nan 0.000 0.464 463 V N -1.878 117.922 119.914 -0.189 0.000 2.427 463 V HA -0.100 4.042 4.120 0.036 0.000 0.248 463 V C 1.265 177.022 176.094 -0.561 0.000 1.051 463 V CA 2.056 64.106 62.300 -0.415 0.000 1.048 463 V CB -0.608 30.844 31.823 -0.619 0.000 0.666 463 V HN 0.668 nan 8.190 nan 0.000 0.456 464 Y N -1.591 118.713 120.300 0.006 0.000 2.567 464 Y HA 0.656 5.228 4.550 0.037 0.000 0.333 464 Y C -0.115 175.759 175.900 -0.044 0.000 1.106 464 Y CA -1.237 56.865 58.100 0.004 0.000 1.157 464 Y CB 1.547 40.028 38.460 0.034 0.000 1.277 464 Y HN -0.156 nan 8.280 nan 0.000 0.490 465 L N 4.505 125.807 121.223 0.133 0.000 2.457 465 L HA 0.482 4.844 4.340 0.036 0.000 0.252 465 L C -2.825 174.051 176.870 0.010 0.000 1.132 465 L CA -2.017 52.836 54.840 0.021 0.000 0.938 465 L CB 1.081 43.126 42.059 -0.024 0.000 1.246 465 L HN 0.370 nan 8.230 nan 0.000 0.476 466 P HA 0.210 nan 4.420 nan 0.000 0.271 466 P C 0.243 177.470 177.300 -0.121 0.000 1.216 466 P CA 0.123 63.174 63.100 -0.082 0.000 0.776 466 P CB 1.507 33.148 31.700 -0.098 0.000 0.881 467 I N 0.133 120.611 120.570 -0.153 0.000 3.518 467 I HA 0.086 4.278 4.170 0.036 0.000 0.260 467 I C 0.697 176.676 176.117 -0.231 0.000 1.148 467 I CA 0.573 61.789 61.300 -0.141 0.000 1.440 467 I CB 0.238 38.202 38.000 -0.059 0.000 1.485 467 I HN 0.386 nan 8.210 nan 0.000 0.456 468 S N -1.104 114.427 115.700 -0.283 0.000 2.596 468 S HA 0.570 5.062 4.470 0.036 0.000 0.270 468 S C -1.528 172.843 174.600 -0.381 0.000 1.155 468 S CA -0.685 57.315 58.200 -0.333 0.000 0.827 468 S CB 1.533 64.635 63.200 -0.164 0.000 1.130 468 S HN 0.045 nan 8.310 nan 0.000 0.467 469 Y N 0.739 121.001 120.300 -0.065 0.000 2.341 469 Y HA 0.571 5.142 4.550 0.035 0.000 0.337 469 Y C 0.324 176.175 175.900 -0.080 0.000 1.014 469 Y CA -1.375 56.678 58.100 -0.078 0.000 1.111 469 Y CB 0.822 39.239 38.460 -0.071 0.000 1.194 469 Y HN 0.584 nan 8.280 nan 0.000 0.462 470 I N 2.592 123.203 120.570 0.068 0.000 2.474 470 I HA 0.237 4.429 4.170 0.036 0.000 0.287 470 I C 0.096 176.192 176.117 -0.035 0.000 1.048 470 I CA 0.125 61.420 61.300 -0.009 0.000 1.383 470 I CB 0.843 38.824 38.000 -0.031 0.000 1.412 470 I HN 0.549 nan 8.210 nan 0.000 0.531 471 S N 5.801 121.454 115.700 -0.077 0.000 2.568 471 S HA 0.518 5.010 4.470 0.036 0.000 0.302 471 S C -0.387 174.124 174.600 -0.147 0.000 1.082 471 S CA -0.676 57.443 58.200 -0.134 0.000 1.009 471 S CB 1.780 64.886 63.200 -0.157 0.000 1.069 471 S HN 0.469 nan 8.310 nan 0.000 0.500 472 M N 2.698 122.208 119.600 -0.150 0.000 2.228 472 M HA 0.375 4.877 4.480 0.036 0.000 0.351 472 M C -0.923 175.336 176.300 -0.069 0.000 1.233 472 M CA 0.625 55.899 55.300 -0.044 0.000 1.129 472 M CB -0.185 32.456 32.600 0.067 0.000 1.604 472 M HN 0.601 nan 8.290 nan 0.000 0.457 473 M N 4.234 123.790 119.600 -0.073 0.000 2.404 473 M HA 0.630 5.132 4.480 0.036 0.000 0.338 473 M C -1.275 175.092 176.300 0.111 0.000 1.150 473 M CA -0.788 54.379 55.300 -0.221 0.000 1.016 473 M CB 1.831 34.015 32.600 -0.694 0.000 1.672 473 M HN 0.400 nan 8.290 nan 0.000 0.448 474 V N 3.175 123.233 119.914 0.240 0.000 2.638 474 V HA 0.639 4.781 4.120 0.036 0.000 0.306 474 V C -0.849 175.393 176.094 0.246 0.000 1.052 474 V CA -0.792 61.648 62.300 0.233 0.000 0.885 474 V CB 2.253 34.157 31.823 0.135 0.000 0.999 474 V HN 0.632 nan 8.190 nan 0.000 0.424 475 V N 3.482 123.435 119.914 0.065 0.000 2.588 475 V HA 0.835 4.977 4.120 0.036 0.000 0.304 475 V C -0.199 175.761 176.094 -0.223 0.000 1.042 475 V CA -0.348 61.859 62.300 -0.154 0.000 0.877 475 V CB 2.057 33.579 31.823 -0.502 0.000 0.996 475 V HN 1.044 nan 8.190 nan 0.000 0.425 476 S N 3.084 118.827 115.700 0.071 0.000 2.564 476 S HA 0.648 5.140 4.470 0.036 0.000 0.274 476 S C -0.932 173.940 174.600 0.454 0.000 1.124 476 S CA -1.203 57.174 58.200 0.295 0.000 0.869 476 S CB 1.731 65.059 63.200 0.213 0.000 1.105 476 S HN 0.574 nan 8.310 nan 0.000 0.472 477 K N 1.743 122.357 120.400 0.356 0.000 2.489 477 K HA 0.140 4.482 4.320 0.036 0.000 0.278 477 K C -1.787 174.889 176.600 0.126 0.000 1.000 477 K CA -1.337 55.043 56.287 0.155 0.000 1.012 477 K CB 0.061 32.567 32.500 0.009 0.000 0.903 477 K HN 0.359 nan 8.250 nan 0.000 0.485 478 P HA -0.268 nan 4.420 nan 0.000 0.216 478 P C 0.720 178.015 177.300 -0.008 0.000 1.154 478 P CA 1.396 64.520 63.100 0.040 0.000 0.865 478 P CB 0.145 31.859 31.700 0.024 0.000 0.789 479 E N -0.560 119.637 120.200 -0.005 0.000 2.265 479 E HA -0.150 4.221 4.350 0.036 0.000 0.196 479 E C 1.929 178.519 176.600 -0.017 0.000 0.996 479 E CA 0.761 57.151 56.400 -0.016 0.000 0.832 479 E CB -1.293 28.397 29.700 -0.016 0.000 0.756 479 E HN 0.240 nan 8.360 nan 0.000 0.491 480 L N 0.876 122.097 121.223 -0.004 0.000 2.056 480 L HA 0.033 4.394 4.340 0.036 0.000 0.207 480 L C 0.998 177.849 176.870 -0.032 0.000 1.078 480 L CA 2.149 56.989 54.840 0.000 0.000 0.749 480 L CB -1.164 40.917 42.059 0.036 0.000 0.901 480 L HN 0.306 nan 8.230 nan 0.000 0.433 481 G N -0.116 108.637 108.800 -0.079 0.000 2.619 481 G HA2 -0.228 3.754 3.960 0.036 0.000 0.686 481 G HA3 -0.228 3.754 3.960 0.036 0.000 0.686 481 G C -0.466 174.311 174.900 -0.204 0.000 1.256 481 G CA -0.145 44.871 45.100 -0.141 0.000 0.826 481 G HN 0.443 nan 8.290 nan 0.000 0.619 482 N N -0.513 118.024 118.700 -0.271 0.000 2.454 482 N HA 0.367 5.129 4.740 0.036 0.000 0.254 482 N C 0.600 176.056 175.510 -0.091 0.000 1.228 482 N CA -0.111 52.835 53.050 -0.173 0.000 0.900 482 N CB 0.203 38.640 38.487 -0.084 0.000 1.089 482 N HN 0.532 nan 8.380 nan 0.000 0.449 483 I N 4.260 124.773 120.570 -0.094 0.000 2.336 483 I HA 0.345 4.536 4.170 0.036 0.000 0.292 483 I C -2.044 173.919 176.117 -0.256 0.000 0.991 483 I CA -2.769 58.415 61.300 -0.193 0.000 1.227 483 I CB 0.761 38.588 38.000 -0.288 0.000 1.366 483 I HN 0.486 nan 8.210 nan 0.000 0.466 484 P HA 0.134 nan 4.420 nan 0.000 0.271 484 P C -0.975 176.184 177.300 -0.235 0.000 1.216 484 P CA 0.065 63.079 63.100 -0.143 0.000 0.776 484 P CB 0.363 32.021 31.700 -0.069 0.000 0.881 485 Y N 0.704 120.982 120.300 -0.037 0.000 2.304 485 Y HA 0.388 4.959 4.550 0.035 0.000 0.327 485 Y C 1.254 177.120 175.900 -0.057 0.000 1.209 485 Y CA -0.163 57.905 58.100 -0.053 0.000 1.299 485 Y CB 0.743 39.182 38.460 -0.034 0.000 1.249 485 Y HN 0.417 nan 8.280 nan 0.000 0.519 486 A N 4.062 126.946 122.820 0.107 0.000 2.282 486 A HA 0.440 4.782 4.320 0.036 0.000 0.319 486 A C -1.793 175.826 177.584 0.059 0.000 1.121 486 A CA -1.653 50.405 52.037 0.035 0.000 0.836 486 A CB 0.391 19.376 19.000 -0.024 0.000 1.146 486 A HN 0.614 nan 8.150 nan 0.000 0.494 487 P HA -0.072 nan 4.420 nan 0.000 0.216 487 P C -0.094 177.298 177.300 0.154 0.000 1.150 487 P CA 1.216 64.372 63.100 0.092 0.000 0.843 487 P CB 0.006 31.741 31.700 0.059 0.000 0.787 488 I N -0.881 119.738 120.570 0.081 0.000 2.330 488 I HA 0.231 4.423 4.170 0.036 0.000 0.286 488 I C 1.302 177.399 176.117 -0.034 0.000 1.025 488 I CA -0.667 60.626 61.300 -0.012 0.000 1.197 488 I CB 1.556 39.517 38.000 -0.065 0.000 1.358 488 I HN -0.139 nan 8.210 nan 0.000 0.467 489 A N 4.125 126.925 122.820 -0.033 0.000 2.019 489 A HA -0.153 4.189 4.320 0.036 0.000 0.219 489 A C 2.234 179.824 177.584 0.009 0.000 1.164 489 A CA 2.082 54.137 52.037 0.030 0.000 0.644 489 A CB -0.719 18.275 19.000 -0.010 0.000 0.805 489 A HN 0.779 nan 8.150 nan 0.000 0.449 490 T N -1.484 112.977 114.554 -0.155 0.000 3.007 490 T HA -0.049 4.323 4.350 0.036 0.000 0.270 490 T C 0.645 175.212 174.700 -0.221 0.000 1.107 490 T CA 1.014 62.878 62.100 -0.393 0.000 1.118 490 T CB -0.390 67.965 68.868 -0.855 0.000 0.889 490 T HN 0.590 nan 8.240 nan 0.000 0.506 491 E N 2.057 122.172 120.200 -0.142 0.000 2.110 491 E HA 0.182 4.554 4.350 0.036 0.000 0.300 491 E C -0.316 176.182 176.600 -0.170 0.000 1.278 491 E CA -0.479 55.854 56.400 -0.111 0.000 1.365 491 E CB -0.031 29.619 29.700 -0.083 0.000 1.283 491 E HN 0.449 nan 8.360 nan 0.000 0.490 492 I N 3.831 124.221 120.570 -0.300 0.000 2.943 492 I HA -0.077 4.115 4.170 0.036 0.000 0.296 492 I C -1.710 174.035 176.117 -0.621 0.000 1.220 492 I CA -1.520 59.399 61.300 -0.636 0.000 1.409 492 I CB -0.587 36.672 38.000 -1.235 0.000 1.374 492 I HN 0.112 nan 8.210 nan 0.000 0.545 493 P HA 0.095 nan 4.420 nan 0.000 0.230 493 P C 0.794 177.998 177.300 -0.160 0.000 1.791 493 P CA -0.148 62.830 63.100 -0.204 0.000 1.020 493 P CB -0.409 31.215 31.700 -0.127 0.000 1.977 494 F N 1.622 121.578 119.950 0.010 0.000 2.287 494 F HA -0.210 4.338 4.527 0.036 0.000 0.301 494 F C 2.329 178.222 175.800 0.154 0.000 1.069 494 F CA 1.065 59.102 58.000 0.063 0.000 1.372 494 F CB -0.555 38.482 39.000 0.061 0.000 1.056 494 F HN 0.220 nan 8.300 nan 0.000 0.523 495 E N 0.740 121.112 120.200 0.287 0.000 2.418 495 E HA -0.190 4.182 4.350 0.036 0.000 0.197 495 E C 1.329 177.986 176.600 0.096 0.000 1.026 495 E CA 0.908 57.408 56.400 0.167 0.000 0.862 495 E CB -0.647 29.112 29.700 0.099 0.000 0.799 495 E HN 0.547 nan 8.360 nan 0.000 0.518 496 Q N 0.464 120.302 119.800 0.064 0.000 2.424 496 Q HA 0.225 4.586 4.340 0.036 0.000 0.204 496 Q C 0.681 176.695 176.000 0.023 0.000 0.933 496 Q CA 0.014 55.831 55.803 0.025 0.000 0.929 496 Q CB 0.431 29.163 28.738 -0.011 0.000 1.037 496 Q HN 0.341 nan 8.270 nan 0.000 0.511 497 I N 2.633 123.235 120.570 0.054 0.000 2.533 497 I HA -0.005 4.187 4.170 0.036 0.000 0.284 497 I C 0.194 176.343 176.117 0.054 0.000 1.109 497 I CA 0.278 61.610 61.300 0.052 0.000 1.412 497 I CB 0.328 38.386 38.000 0.097 0.000 1.396 497 I HN -0.254 nan 8.210 nan 0.000 0.543 498 K N 7.376 127.793 120.400 0.028 0.000 2.307 498 K HA 0.491 4.833 4.320 0.036 0.000 0.263 498 K C -2.028 174.583 176.600 0.019 0.000 0.973 498 K CA -1.583 54.718 56.287 0.023 0.000 0.846 498 K CB 1.284 33.790 32.500 0.010 0.000 1.100 498 K HN 0.319 nan 8.250 nan 0.000 0.438 499 P HA 0.000 nan 4.420 nan 0.000 0.216 499 P CA 0.000 63.110 63.100 0.017 0.000 0.800 499 P CB 0.000 31.712 31.700 0.020 0.000 0.726