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 4gr1_1_A DATA FIRST_RESID 18 DATA SEQUENCE VASYDYLVIG GGSGGLASAR RAAELGARAA VVESHKLGGT cVNVGcVPKK DATA SEQUENCE VMWNTAVHSE FMHDHADYGF PSCEGKFNWR VIKEKRDAYV SRLNAIYQNN DATA SEQUENCE LTKSHIEIIR GHAAFTSDPK PTIEVSGKKY TAPHILIATG GMPSTPHESQ DATA SEQUENCE IPGASLGITS DGFFQLEELP GRSVIVGAGY IAVEMAGILS ALGSKTSLMI DATA SEQUENCE RHDKVLRSFD SMISTNCTEE LENAGVEVLK FSQVKEVKKT LSGLEVSMVT DATA SEQUENCE AVPGRLPVMT MIPDVDCLLW AIGRVPNTKD LSLNKLGIQT DDKGHIIVDE DATA SEQUENCE FQNTNVKGIY AVGDVCGKAL LTPVAIAAGR KLAHRLFEYK EDSKLDYNNI DATA SEQUENCE PTVVFSHPPI GTVGLTEDEA IHKYGIENVK TYSTSFTPMY HAVTKRKTKC DATA SEQUENCE VMKMVCANKE EKVVGIHMQG LGCDEMLQGF AVAVKMGATK ADFDNTVAIH DATA SEQUENCE PTSSEELVTL R 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 18 V HA 0.000 nan 4.120 nan 0.000 0.244 18 V C 0.000 176.041 176.094 -0.089 0.000 1.182 18 V CA 0.000 62.239 62.300 -0.101 0.000 1.235 18 V CB 0.000 31.796 31.823 -0.046 0.000 1.184 19 A N 2.726 125.466 122.820 -0.132 0.000 2.401 19 A HA 0.811 5.131 4.320 0.000 0.000 0.259 19 A C 0.389 177.982 177.584 0.015 0.000 1.103 19 A CA 0.251 52.247 52.037 -0.068 0.000 0.789 19 A CB 1.147 20.137 19.000 -0.015 0.000 1.035 19 A HN 1.126 nan 8.150 nan 0.000 0.491 20 S N 1.198 116.843 115.700 -0.093 0.000 2.501 20 S HA 0.788 5.258 4.470 0.000 0.000 0.301 20 S C -1.107 173.369 174.600 -0.207 0.000 1.096 20 S CA -0.362 57.824 58.200 -0.023 0.000 1.063 20 S CB 0.328 63.527 63.200 -0.002 0.000 1.042 20 S HN 0.511 nan 8.310 nan 0.000 0.494 21 Y N 0.843 121.218 120.300 0.126 0.000 2.698 21 Y HA 0.428 4.978 4.550 0.000 0.000 0.332 21 Y C 0.961 176.962 175.900 0.168 0.000 1.119 21 Y CA -0.913 57.265 58.100 0.131 0.000 1.109 21 Y CB 1.009 39.546 38.460 0.128 0.000 1.308 21 Y HN 0.553 nan 8.280 nan 0.000 0.499 22 D N -0.495 120.120 120.400 0.358 0.000 2.271 22 D HA -0.044 4.597 4.640 0.000 0.000 0.206 22 D C -0.805 175.847 176.300 0.587 0.000 0.967 22 D CA 1.559 55.782 54.000 0.373 0.000 0.867 22 D CB 0.551 41.468 40.800 0.195 0.000 0.960 22 D HN 0.262 nan 8.370 nan 0.000 0.509 23 Y N 0.418 120.885 120.300 0.279 0.000 2.348 23 Y HA 0.366 4.916 4.550 0.000 0.000 0.321 23 Y C -1.694 174.279 175.900 0.122 0.000 1.163 23 Y CA -0.897 57.366 58.100 0.271 0.000 1.070 23 Y CB 0.805 39.366 38.460 0.167 0.000 1.250 23 Y HN -0.281 nan 8.280 nan 0.000 0.425 24 L N 6.453 127.677 121.223 0.001 0.000 2.313 24 L HA 0.692 5.032 4.340 0.000 0.000 0.283 24 L C -0.996 175.650 176.870 -0.372 0.000 1.013 24 L CA -1.109 53.609 54.840 -0.202 0.000 0.816 24 L CB 1.602 43.625 42.059 -0.060 0.000 1.236 24 L HN 0.414 nan 8.230 nan 0.000 0.419 25 V N 5.603 125.266 119.914 -0.419 0.000 2.357 25 V HA 0.368 4.488 4.120 0.000 0.000 0.284 25 V C 0.196 176.136 176.094 -0.256 0.000 1.018 25 V CA -0.399 61.677 62.300 -0.373 0.000 0.841 25 V CB 1.758 33.343 31.823 -0.395 0.000 0.991 25 V HN 0.503 nan 8.190 nan 0.000 0.437 26 I N 4.969 125.424 120.570 -0.192 0.000 2.281 26 I HA 0.673 4.843 4.170 0.000 0.000 0.293 26 I C 0.781 176.822 176.117 -0.126 0.000 1.085 26 I CA 0.064 61.255 61.300 -0.182 0.000 1.257 26 I CB 0.797 38.684 38.000 -0.189 0.000 1.430 26 I HN 0.847 nan 8.210 nan 0.000 0.489 27 G N 3.601 112.325 108.800 -0.126 0.000 3.239 27 G HA2 0.068 4.028 3.960 0.000 0.000 0.666 27 G HA3 0.068 4.028 3.960 0.000 0.000 0.666 27 G C -0.146 174.699 174.900 -0.092 0.000 1.313 27 G CA -0.571 44.479 45.100 -0.083 0.000 1.001 27 G HN 0.879 nan 8.290 nan 0.000 0.573 28 G N 0.529 109.279 108.800 -0.083 0.000 4.125 28 G HA2 0.679 4.639 3.960 0.000 0.000 0.301 28 G HA3 0.679 4.639 3.960 0.000 0.000 0.301 28 G C 0.767 175.599 174.900 -0.113 0.000 1.273 28 G CA 0.882 45.924 45.100 -0.097 0.000 1.095 28 G HN 1.227 nan 8.290 nan 0.000 0.582 29 G N -0.094 108.646 108.800 -0.099 0.000 2.736 29 G HA2 0.398 4.358 3.960 0.000 0.000 0.229 29 G HA3 0.398 4.358 3.960 0.000 0.000 0.229 29 G C 1.193 176.015 174.900 -0.130 0.000 1.380 29 G CA 0.342 45.370 45.100 -0.120 0.000 1.040 29 G HN 0.137 nan 8.290 nan 0.000 0.568 30 S N -0.269 115.364 115.700 -0.111 0.000 2.359 30 S HA -0.150 4.320 4.470 0.000 0.000 0.223 30 S C 2.424 176.995 174.600 -0.047 0.000 1.039 30 S CA 1.935 60.081 58.200 -0.090 0.000 1.042 30 S CB -0.710 62.460 63.200 -0.049 0.000 0.915 30 S HN 0.777 nan 8.310 nan 0.000 0.439 31 G N 0.691 109.479 108.800 -0.021 0.000 2.394 31 G HA2 0.085 4.045 3.960 0.000 0.000 0.215 31 G HA3 0.085 4.045 3.960 0.000 0.000 0.215 31 G C 1.427 176.329 174.900 0.004 0.000 1.165 31 G CA 0.804 45.908 45.100 0.007 0.000 0.784 31 G HN 0.563 nan 8.290 nan 0.000 0.535 32 G N 1.092 109.878 108.800 -0.023 0.000 2.433 32 G HA2 -0.141 3.819 3.960 0.000 0.000 0.216 32 G HA3 -0.141 3.819 3.960 0.000 0.000 0.216 32 G C 1.820 176.690 174.900 -0.050 0.000 1.186 32 G CA 0.802 45.873 45.100 -0.048 0.000 0.779 32 G HN 0.394 nan 8.290 nan 0.000 0.543 33 L N 0.841 122.028 121.223 -0.059 0.000 1.989 33 L HA -0.143 4.197 4.340 0.000 0.000 0.211 33 L C 3.450 180.320 176.870 0.001 0.000 1.071 33 L CA 1.341 56.155 54.840 -0.042 0.000 0.749 33 L CB -0.606 41.408 42.059 -0.076 0.000 0.890 33 L HN 0.306 nan 8.230 nan 0.000 0.431 34 A N -1.047 121.778 122.820 0.009 0.000 1.908 34 A HA -0.242 4.078 4.320 0.000 0.000 0.218 34 A C 2.543 180.157 177.584 0.050 0.000 1.181 34 A CA 2.216 54.273 52.037 0.033 0.000 0.627 34 A CB -0.711 18.308 19.000 0.031 0.000 0.818 34 A HN 0.372 nan 8.150 nan 0.000 0.445 35 S N -0.770 114.972 115.700 0.070 0.000 2.345 35 S HA -0.013 4.457 4.470 0.000 0.000 0.220 35 S C 2.266 176.990 174.600 0.206 0.000 1.031 35 S CA 1.475 59.762 58.200 0.145 0.000 0.996 35 S CB -0.477 62.839 63.200 0.194 0.000 0.882 35 S HN 0.804 nan 8.310 nan 0.000 0.445 36 A N 1.626 124.526 122.820 0.133 0.000 1.877 36 A HA -0.111 4.209 4.320 0.000 0.000 0.216 36 A C 2.173 179.795 177.584 0.064 0.000 1.186 36 A CA 1.560 53.661 52.037 0.107 0.000 0.620 36 A CB -0.623 18.365 19.000 -0.021 0.000 0.822 36 A HN 0.572 nan 8.150 nan 0.000 0.443 37 R N -1.273 119.247 120.500 0.035 0.000 2.091 37 R HA -0.150 4.190 4.340 0.000 0.000 0.238 37 R C 2.485 178.782 176.300 -0.005 0.000 1.136 37 R CA 1.745 57.854 56.100 0.014 0.000 0.959 37 R CB -0.253 30.060 30.300 0.022 0.000 0.856 37 R HN 0.466 nan 8.270 nan 0.000 0.437 38 R N 0.850 121.346 120.500 -0.008 0.000 2.090 38 R HA 0.018 4.358 4.340 0.000 0.000 0.228 38 R C 1.993 178.220 176.300 -0.122 0.000 1.110 38 R CA 1.581 57.641 56.100 -0.066 0.000 0.973 38 R CB -0.536 29.715 30.300 -0.081 0.000 0.869 38 R HN 0.213 nan 8.270 nan 0.000 0.440 39 A N 0.564 123.329 122.820 -0.091 0.000 1.883 39 A HA -0.100 4.220 4.320 0.000 0.000 0.217 39 A C 2.405 179.828 177.584 -0.268 0.000 1.186 39 A CA 1.973 53.873 52.037 -0.227 0.000 0.624 39 A CB -1.242 17.586 19.000 -0.287 0.000 0.822 39 A HN 0.486 nan 8.150 nan 0.000 0.444 40 A N 0.276 123.015 122.820 -0.134 0.000 1.908 40 A HA -0.217 4.103 4.320 0.000 0.000 0.218 40 A C 1.825 179.366 177.584 -0.072 0.000 1.181 40 A CA 1.744 53.726 52.037 -0.092 0.000 0.627 40 A CB -0.732 18.259 19.000 -0.015 0.000 0.818 40 A HN 0.698 nan 8.150 nan 0.000 0.445 41 E N 0.043 120.208 120.200 -0.059 0.000 2.209 41 E HA -0.151 4.199 4.350 0.000 0.000 0.196 41 E C 1.494 178.062 176.600 -0.053 0.000 0.993 41 E CA 1.049 57.427 56.400 -0.038 0.000 0.819 41 E CB -0.363 29.323 29.700 -0.024 0.000 0.745 41 E HN 0.645 nan 8.360 nan 0.000 0.477 42 L N -0.423 120.739 121.223 -0.102 0.000 2.599 42 L HA 0.131 4.471 4.340 0.000 0.000 0.230 42 L C 1.473 178.295 176.870 -0.079 0.000 1.141 42 L CA 0.497 55.287 54.840 -0.084 0.000 0.877 42 L CB 0.092 42.091 42.059 -0.101 0.000 1.009 42 L HN 0.406 nan 8.230 nan 0.000 0.447 43 G N -0.493 108.242 108.800 -0.108 0.000 2.201 43 G HA2 -0.205 3.755 3.960 0.000 0.000 0.212 43 G HA3 -0.205 3.755 3.960 0.000 0.000 0.212 43 G C 0.414 175.232 174.900 -0.138 0.000 0.994 43 G CA -0.162 44.891 45.100 -0.079 0.000 0.644 43 G HN 0.418 nan 8.290 nan 0.000 0.508 44 A N 0.009 122.640 122.820 -0.315 0.000 2.445 44 A HA 0.676 4.996 4.320 0.000 0.000 0.242 44 A C 0.651 178.137 177.584 -0.165 0.000 1.075 44 A CA 0.821 52.605 52.037 -0.422 0.000 0.777 44 A CB 0.318 18.656 19.000 -1.103 0.000 1.013 44 A HN 1.077 nan 8.150 nan 0.000 0.493 45 R N 1.532 122.005 120.500 -0.045 0.000 2.204 45 R HA 0.566 4.907 4.340 0.000 0.000 0.341 45 R C -0.380 176.054 176.300 0.223 0.000 1.035 45 R CA 0.660 56.813 56.100 0.090 0.000 0.887 45 R CB 0.130 30.483 30.300 0.089 0.000 1.114 45 R HN 0.881 nan 8.270 nan 0.000 0.473 46 A N 2.768 125.691 122.820 0.172 0.000 2.356 46 A HA 0.896 5.216 4.320 0.000 0.000 0.323 46 A C -1.088 176.450 177.584 -0.077 0.000 1.119 46 A CA -0.413 51.686 52.037 0.103 0.000 0.790 46 A CB 1.683 20.732 19.000 0.082 0.000 1.273 46 A HN 0.838 nan 8.150 nan 0.000 0.452 47 A N 0.661 123.266 122.820 -0.359 0.000 2.414 47 A HA 0.681 5.001 4.320 0.000 0.000 0.306 47 A C -1.147 176.204 177.584 -0.387 0.000 1.054 47 A CA -0.448 51.276 52.037 -0.522 0.000 0.724 47 A CB 1.469 19.799 19.000 -1.116 0.000 1.267 47 A HN 1.140 nan 8.150 nan 0.000 0.418 48 V N 2.577 122.313 119.914 -0.297 0.000 2.370 48 V HA 0.385 4.505 4.120 0.000 0.000 0.283 48 V C -0.200 175.734 176.094 -0.267 0.000 1.023 48 V CA -0.449 61.702 62.300 -0.250 0.000 0.857 48 V CB 1.466 33.188 31.823 -0.168 0.000 0.985 48 V HN 0.660 nan 8.190 nan 0.000 0.443 49 V N 4.479 124.226 119.914 -0.279 0.000 2.465 49 V HA 0.585 4.705 4.120 0.000 0.000 0.279 49 V C -0.164 175.817 176.094 -0.189 0.000 1.045 49 V CA -0.381 61.756 62.300 -0.271 0.000 0.938 49 V CB 1.505 33.140 31.823 -0.314 0.000 0.986 49 V HN 0.977 nan 8.190 nan 0.000 0.467 50 E N 2.710 122.819 120.200 -0.152 0.000 2.278 50 E HA 0.421 4.771 4.350 0.000 0.000 0.272 50 E C 0.274 176.819 176.600 -0.091 0.000 0.890 50 E CA -0.077 56.266 56.400 -0.096 0.000 0.770 50 E CB 2.114 31.769 29.700 -0.075 0.000 1.212 50 E HN 0.557 nan 8.360 nan 0.000 0.415 51 S N 3.498 119.164 115.700 -0.057 0.000 2.503 51 S HA 0.183 4.653 4.470 0.000 0.000 0.215 51 S C 0.840 175.181 174.600 -0.431 0.000 1.003 51 S CA 0.133 58.232 58.200 -0.168 0.000 0.910 51 S CB -0.144 63.005 63.200 -0.085 0.000 0.790 51 S HN 0.584 nan 8.310 nan 0.000 0.514 52 H N 1.500 120.562 119.070 -0.013 0.000 5.016 52 H HA 0.504 5.060 4.556 0.000 0.000 0.159 52 H C -0.309 175.006 175.328 -0.022 0.000 1.363 52 H CA -0.507 55.535 56.048 -0.010 0.000 0.657 52 H CB 0.153 29.914 29.762 -0.003 0.000 1.535 52 H HN 0.127 nan 8.280 nan 0.000 0.340 53 K N 1.491 121.967 120.400 0.126 0.000 2.207 53 K HA 0.382 4.702 4.320 0.000 0.000 0.255 53 K C -0.473 176.126 176.600 -0.002 0.000 0.941 53 K CA -0.508 55.803 56.287 0.039 0.000 0.825 53 K CB 2.314 34.835 32.500 0.034 0.000 1.119 53 K HN 0.150 nan 8.250 nan 0.000 0.430 54 L N 0.669 121.879 121.223 -0.021 0.000 2.483 54 L HA 0.062 4.402 4.340 0.000 0.000 0.275 54 L C 1.494 178.287 176.870 -0.129 0.000 1.220 54 L CA 1.062 55.864 54.840 -0.064 0.000 0.833 54 L CB 0.018 42.060 42.059 -0.028 0.000 1.102 54 L HN 1.098 nan 8.230 nan 0.000 0.490 55 G N 0.083 108.720 108.800 -0.273 0.000 2.284 55 G HA2 -0.016 3.944 3.960 0.000 0.000 0.216 55 G HA3 -0.016 3.944 3.960 0.000 0.000 0.216 55 G C 0.694 175.442 174.900 -0.253 0.000 1.009 55 G CA -0.174 44.678 45.100 -0.413 0.000 0.625 55 G HN 1.510 nan 8.290 nan 0.000 0.501 56 G N -0.729 107.983 108.800 -0.147 0.000 2.564 56 G HA2 -0.099 3.861 3.960 0.000 0.000 0.273 56 G HA3 -0.099 3.861 3.960 0.000 0.000 0.273 56 G C 1.045 175.898 174.900 -0.078 0.000 1.242 56 G CA 1.566 46.611 45.100 -0.091 0.000 0.951 56 G HN 1.383 nan 8.290 nan 0.000 0.564 57 T N -0.322 114.201 114.554 -0.052 0.000 2.708 57 T HA -0.200 4.150 4.350 0.000 0.000 0.266 57 T C 2.458 177.130 174.700 -0.046 0.000 1.037 57 T CA 2.595 64.676 62.100 -0.031 0.000 1.146 57 T CB -0.738 68.134 68.868 0.006 0.000 0.865 57 T HN 1.038 nan 8.240 nan 0.000 0.435 58 c N 1.273 119.842 118.600 -0.053 0.000 2.413 58 c HA -0.082 4.488 4.570 0.000 0.000 0.277 58 c C 2.755 176.788 174.090 -0.096 0.000 1.228 58 c CA 0.841 57.138 56.329 -0.053 0.000 1.731 58 c CB -1.232 41.251 42.510 -0.044 0.000 2.042 58 c HN 0.387 nan 8.230 nan 0.000 0.468 59 V N 1.896 121.734 119.914 -0.126 0.000 2.323 59 V HA -0.143 3.977 4.120 0.000 0.000 0.244 59 V C 2.401 178.399 176.094 -0.161 0.000 1.041 59 V CA 2.349 64.564 62.300 -0.142 0.000 1.025 59 V CB -0.773 30.960 31.823 -0.149 0.000 0.656 59 V HN 0.573 nan 8.190 nan 0.000 0.451 60 N N 0.672 119.289 118.700 -0.137 0.000 2.173 60 N HA -0.056 4.684 4.740 0.000 0.000 0.184 60 N C 1.164 176.560 175.510 -0.191 0.000 1.025 60 N CA 1.987 54.960 53.050 -0.129 0.000 0.852 60 N CB 0.279 38.724 38.487 -0.071 0.000 0.998 60 N HN 0.555 nan 8.380 nan 0.000 0.427 61 V N -3.547 116.262 119.914 -0.175 0.000 2.947 61 V HA 0.703 4.823 4.120 0.000 0.000 0.381 61 V C 0.320 176.359 176.094 -0.092 0.000 1.376 61 V CA -0.193 62.000 62.300 -0.178 0.000 1.292 61 V CB 0.593 32.477 31.823 0.102 0.000 1.295 61 V HN 0.178 nan 8.190 nan 0.000 0.617 62 G N -0.329 108.370 108.800 -0.168 0.000 3.321 62 G HA2 0.239 4.199 3.960 0.000 0.000 0.169 62 G HA3 0.239 4.199 3.960 0.000 0.000 0.169 62 G C 0.849 175.740 174.900 -0.014 0.000 1.153 62 G CA 0.625 45.730 45.100 0.008 0.000 1.007 62 G HN 0.264 nan 8.290 nan 0.000 0.668 63 c N 0.235 118.844 118.600 0.014 0.000 2.336 63 c HA -0.108 4.462 4.570 0.000 0.000 0.272 63 c C 2.868 176.931 174.090 -0.044 0.000 1.160 63 c CA 1.217 57.550 56.329 0.006 0.000 1.783 63 c CB -1.612 40.902 42.510 0.005 0.000 2.050 63 c HN 0.313 nan 8.230 nan 0.000 0.443 64 V N 2.986 122.857 119.914 -0.071 0.000 2.216 64 V HA -0.153 3.967 4.120 0.000 0.000 0.243 64 V C 0.188 176.250 176.094 -0.054 0.000 1.044 64 V CA 2.710 64.974 62.300 -0.059 0.000 0.995 64 V CB -2.280 29.479 31.823 -0.107 0.000 0.633 64 V HN 0.349 nan 8.190 nan 0.000 0.446 65 P HA -0.203 nan 4.420 nan 0.000 0.218 65 P C 1.596 178.919 177.300 0.038 0.000 1.148 65 P CA 1.542 64.508 63.100 -0.224 0.000 0.822 65 P CB -0.153 31.081 31.700 -0.777 0.000 0.784 66 K N 1.044 121.501 120.400 0.096 0.000 2.009 66 K HA -0.201 4.119 4.320 0.000 0.000 0.210 66 K C 2.105 178.800 176.600 0.158 0.000 1.049 66 K CA 1.906 58.376 56.287 0.304 0.000 0.929 66 K CB -0.570 32.075 32.500 0.242 0.000 0.714 66 K HN -0.111 nan 8.250 nan 0.000 0.440 67 K N 0.721 121.121 120.400 -0.000 0.000 2.097 67 K HA -0.052 4.268 4.320 0.000 0.000 0.206 67 K C 2.031 178.690 176.600 0.098 0.000 1.049 67 K CA 1.182 57.413 56.287 -0.094 0.000 0.933 67 K CB -0.343 32.030 32.500 -0.212 0.000 0.717 67 K HN 0.021 nan 8.250 nan 0.000 0.442 68 V N 0.779 120.756 119.914 0.106 0.000 2.287 68 V HA -0.294 3.826 4.120 0.000 0.000 0.248 68 V C 2.328 178.489 176.094 0.111 0.000 1.053 68 V CA 1.848 64.209 62.300 0.103 0.000 1.027 68 V CB -0.472 31.413 31.823 0.103 0.000 0.646 68 V HN 0.346 nan 8.190 nan 0.000 0.447 69 M N -1.613 118.085 119.600 0.164 0.000 2.159 69 M HA -0.183 4.297 4.480 0.000 0.000 0.263 69 M C 1.965 178.380 176.300 0.193 0.000 1.063 69 M CA 1.522 56.917 55.300 0.159 0.000 1.110 69 M CB -1.404 31.377 32.600 0.301 0.000 1.374 69 M HN 0.627 nan 8.290 nan 0.000 0.411 70 W N 2.339 123.666 121.300 0.046 0.000 2.381 70 W HA -0.156 4.504 4.660 0.000 0.000 0.301 70 W C 1.948 178.496 176.519 0.047 0.000 1.205 70 W CA 1.442 58.816 57.345 0.048 0.000 1.285 70 W CB -0.344 29.092 29.460 -0.039 0.000 1.133 70 W HN 0.252 nan 8.180 nan 0.000 0.521 71 N N -0.402 118.386 118.700 0.147 0.000 2.223 71 N HA -0.141 4.599 4.740 0.000 0.000 0.185 71 N C 1.564 177.041 175.510 -0.055 0.000 1.016 71 N CA 2.138 55.189 53.050 0.001 0.000 0.863 71 N CB -0.864 37.690 38.487 0.112 0.000 0.983 71 N HN 0.169 nan 8.380 nan 0.000 0.429 72 T N 0.977 115.506 114.554 -0.042 0.000 2.708 72 T HA -0.050 4.300 4.350 0.000 0.000 0.266 72 T C 2.022 176.611 174.700 -0.185 0.000 1.037 72 T CA 1.390 63.433 62.100 -0.094 0.000 1.146 72 T CB -0.336 68.467 68.868 -0.108 0.000 0.865 72 T HN 0.315 nan 8.240 nan 0.000 0.435 73 A N 1.082 123.779 122.820 -0.205 0.000 1.902 73 A HA -0.059 4.261 4.320 0.000 0.000 0.217 73 A C 2.590 179.961 177.584 -0.355 0.000 1.181 73 A CA 1.358 53.235 52.037 -0.267 0.000 0.623 73 A CB -1.137 17.776 19.000 -0.144 0.000 0.818 73 A HN 0.339 nan 8.150 nan 0.000 0.443 74 V N -0.331 119.320 119.914 -0.440 0.000 2.392 74 V HA -0.298 3.822 4.120 0.000 0.000 0.249 74 V C 2.469 178.289 176.094 -0.456 0.000 1.059 74 V CA 2.205 64.145 62.300 -0.600 0.000 1.051 74 V CB -1.009 30.332 31.823 -0.802 0.000 0.658 74 V HN 0.678 nan 8.190 nan 0.000 0.455 75 H N -0.788 118.113 119.070 -0.282 0.000 2.389 75 H HA -0.120 4.437 4.556 0.000 0.000 0.299 75 H C 2.671 177.863 175.328 -0.226 0.000 1.081 75 H CA 1.797 57.746 56.048 -0.165 0.000 1.345 75 H CB 0.004 29.684 29.762 -0.137 0.000 1.393 75 H HN 0.428 nan 8.280 nan 0.000 0.520 76 S N 0.251 115.847 115.700 -0.173 0.000 2.353 76 S HA -0.170 4.300 4.470 0.000 0.000 0.222 76 S C 1.957 176.243 174.600 -0.523 0.000 1.035 76 S CA 1.744 59.765 58.200 -0.299 0.000 1.025 76 S CB 0.015 63.034 63.200 -0.301 0.000 0.902 76 S HN 0.549 nan 8.310 nan 0.000 0.440 77 E N -0.264 119.648 120.200 -0.480 0.000 2.072 77 E HA -0.074 4.276 4.350 0.000 0.000 0.191 77 E C 1.842 178.290 176.600 -0.254 0.000 0.985 77 E CA 1.207 57.355 56.400 -0.420 0.000 0.801 77 E CB -0.299 29.140 29.700 -0.435 0.000 0.750 77 E HN 0.618 nan 8.360 nan 0.000 0.452 78 F N 1.139 120.969 119.950 -0.200 0.000 2.134 78 F HA -0.176 4.351 4.527 0.000 0.000 0.299 78 F C 2.660 178.413 175.800 -0.077 0.000 1.097 78 F CA 0.624 58.553 58.000 -0.118 0.000 1.264 78 F CB -0.184 38.664 39.000 -0.253 0.000 1.001 78 F HN 0.051 nan 8.300 nan 0.000 0.479 79 M N 0.045 119.624 119.600 -0.035 0.000 2.267 79 M HA -0.240 4.240 4.480 0.000 0.000 0.263 79 M C 1.836 178.152 176.300 0.026 0.000 1.063 79 M CA 1.772 57.029 55.300 -0.072 0.000 1.090 79 M CB -0.521 32.000 32.600 -0.130 0.000 1.392 79 M HN 0.169 nan 8.290 nan 0.000 0.422 80 H N 0.654 119.808 119.070 0.140 0.000 2.457 80 H HA -0.037 4.519 4.556 0.000 0.000 0.294 80 H C 1.014 176.471 175.328 0.216 0.000 1.064 80 H CA 1.410 57.546 56.048 0.146 0.000 1.330 80 H CB -0.455 29.366 29.762 0.100 0.000 1.395 80 H HN 0.561 nan 8.280 nan 0.000 0.541 81 D N -0.471 120.162 120.400 0.388 0.000 2.340 81 D HA -0.059 4.581 4.640 0.000 0.000 0.220 81 D C 1.782 178.342 176.300 0.433 0.000 1.039 81 D CA 0.189 54.443 54.000 0.424 0.000 0.866 81 D CB -0.149 41.001 40.800 0.583 0.000 0.913 81 D HN 0.358 nan 8.370 nan 0.000 0.523 82 H N 1.880 121.102 119.070 0.253 0.000 2.319 82 H HA -0.105 4.451 4.556 0.000 0.000 0.297 82 H C 2.032 177.553 175.328 0.323 0.000 1.097 82 H CA 2.063 58.256 56.048 0.242 0.000 1.285 82 H CB -0.091 29.753 29.762 0.138 0.000 1.368 82 H HN 0.127 nan 8.280 nan 0.000 0.495 83 A N 0.233 123.208 122.820 0.258 0.000 1.898 83 A HA -0.149 4.171 4.320 0.000 0.000 0.216 83 A C 2.044 179.684 177.584 0.093 0.000 1.181 83 A CA 1.728 53.855 52.037 0.151 0.000 0.620 83 A CB -0.350 18.729 19.000 0.131 0.000 0.819 83 A HN 0.436 nan 8.150 nan 0.000 0.442 84 D N -1.691 118.765 120.400 0.094 0.000 2.265 84 D HA -0.128 4.513 4.640 0.000 0.000 0.208 84 D C 0.732 176.961 176.300 -0.118 0.000 0.977 84 D CA 1.098 55.078 54.000 -0.034 0.000 0.871 84 D CB -0.229 40.526 40.800 -0.075 0.000 0.925 84 D HN 0.672 nan 8.370 nan 0.000 0.485 85 Y N -0.863 119.466 120.300 0.049 0.000 2.493 85 Y HA 0.294 4.844 4.550 0.000 0.000 0.275 85 Y C 1.658 177.524 175.900 -0.058 0.000 1.183 85 Y CA 0.170 58.301 58.100 0.050 0.000 1.258 85 Y CB 0.997 39.550 38.460 0.155 0.000 1.108 85 Y HN 0.040 nan 8.280 nan 0.000 0.521 86 G N -1.047 107.718 108.800 -0.057 0.000 2.211 86 G HA2 -0.245 3.715 3.960 0.000 0.000 0.201 86 G HA3 -0.245 3.715 3.960 0.000 0.000 0.201 86 G C -0.085 174.499 174.900 -0.525 0.000 0.997 86 G CA -0.504 44.408 45.100 -0.314 0.000 0.652 86 G HN 0.152 nan 8.290 nan 0.000 0.500 87 F N 1.197 121.042 119.950 -0.175 0.000 2.525 87 F HA 0.727 5.254 4.527 0.000 0.000 0.346 87 F C -1.998 173.740 175.800 -0.103 0.000 1.072 87 F CA -2.347 55.514 58.000 -0.233 0.000 1.033 87 F CB 1.328 39.859 39.000 -0.780 0.000 1.324 87 F HN -0.175 nan 8.300 nan 0.000 0.491 88 P HA 0.226 nan 4.420 nan 0.000 0.296 88 P C -0.955 176.505 177.300 0.267 0.000 1.301 88 P CA -0.682 62.526 63.100 0.181 0.000 0.862 88 P CB 1.518 33.308 31.700 0.150 0.000 1.046 89 S N 1.182 117.003 115.700 0.200 0.000 2.593 89 S HA -0.002 4.468 4.470 0.000 0.000 0.300 89 S C 0.181 174.896 174.600 0.192 0.000 1.267 89 S CA 0.028 58.350 58.200 0.204 0.000 1.065 89 S CB -0.496 62.790 63.200 0.144 0.000 0.807 89 S HN 0.463 nan 8.310 nan 0.000 0.499 90 C N 4.302 123.716 119.300 0.190 0.000 2.347 90 C HA 0.313 4.773 4.460 0.000 0.000 0.353 90 C C 1.694 176.744 174.990 0.100 0.000 1.273 90 C CA -0.582 58.503 59.018 0.111 0.000 1.861 90 C CB 0.027 27.780 27.740 0.022 0.000 2.420 90 C HN 1.046 nan 8.230 nan 0.000 0.542 91 E N 3.109 123.357 120.200 0.080 0.000 2.452 91 E HA 0.308 4.658 4.350 0.000 0.000 0.197 91 E C 0.822 177.466 176.600 0.073 0.000 1.022 91 E CA 0.560 57.006 56.400 0.076 0.000 0.890 91 E CB 0.383 30.121 29.700 0.063 0.000 0.918 91 E HN 0.813 nan 8.360 nan 0.000 0.496 92 G N 1.398 110.240 108.800 0.071 0.000 2.827 92 G HA2 0.123 4.083 3.960 0.000 0.000 0.202 92 G HA3 0.123 4.083 3.960 0.000 0.000 0.202 92 G C -1.371 173.590 174.900 0.101 0.000 1.185 92 G CA -0.630 44.517 45.100 0.078 0.000 0.920 92 G HN 0.128 nan 8.290 nan 0.000 0.550 93 K N 0.394 120.849 120.400 0.092 0.000 2.436 93 K HA 0.178 4.499 4.320 0.000 0.000 0.282 93 K C -0.910 175.780 176.600 0.150 0.000 1.044 93 K CA -0.361 55.995 56.287 0.115 0.000 1.028 93 K CB 0.519 33.061 32.500 0.069 0.000 0.919 93 K HN 0.226 nan 8.250 nan 0.000 0.474 94 F N 4.333 124.307 119.950 0.039 0.000 2.484 94 F HA 0.140 4.667 4.527 0.000 0.000 0.360 94 F C -0.185 175.654 175.800 0.065 0.000 1.101 94 F CA -0.506 57.519 58.000 0.041 0.000 1.251 94 F CB 0.523 39.565 39.000 0.069 0.000 1.132 94 F HN 0.686 nan 8.300 nan 0.000 0.570 95 N N 7.456 125.623 118.700 -0.888 0.000 2.501 95 N HA 0.011 4.751 4.740 0.000 0.000 0.245 95 N C 0.686 175.520 175.510 -1.126 0.000 0.974 95 N CA -0.547 52.047 53.050 -0.759 0.000 0.941 95 N CB 0.099 38.377 38.487 -0.349 0.000 1.122 95 N HN 0.908 nan 8.380 nan 0.000 0.507 96 W N 5.691 126.364 121.300 -1.046 0.000 2.338 96 W HA -0.185 4.475 4.660 0.000 0.000 0.304 96 W C 1.500 177.846 176.519 -0.288 0.000 1.212 96 W CA 1.570 58.566 57.345 -0.581 0.000 1.264 96 W CB 0.168 29.554 29.460 -0.124 0.000 1.142 96 W HN 0.704 nan 8.180 nan 0.000 0.512 97 R N 0.082 120.602 120.500 0.032 0.000 2.148 97 R HA -0.111 4.229 4.340 0.000 0.000 0.227 97 R C 1.864 178.126 176.300 -0.063 0.000 1.103 97 R CA 1.589 57.706 56.100 0.030 0.000 0.983 97 R CB -1.197 29.145 30.300 0.071 0.000 0.874 97 R HN 0.069 nan 8.270 nan 0.000 0.451 98 V N 1.699 121.534 119.914 -0.132 0.000 2.255 98 V HA -0.238 3.882 4.120 0.000 0.000 0.247 98 V C 2.299 178.325 176.094 -0.113 0.000 1.051 98 V CA 1.855 64.082 62.300 -0.122 0.000 1.018 98 V CB -0.421 31.310 31.823 -0.155 0.000 0.641 98 V HN 0.265 nan 8.190 nan 0.000 0.445 99 I N -0.454 120.024 120.570 -0.154 0.000 2.617 99 I HA -0.109 4.061 4.170 0.000 0.000 0.256 99 I C 2.340 178.374 176.117 -0.138 0.000 1.167 99 I CA 1.435 62.665 61.300 -0.118 0.000 1.469 99 I CB -0.424 37.543 38.000 -0.056 0.000 1.098 99 I HN 0.178 nan 8.210 nan 0.000 0.436 100 K N 0.487 120.776 120.400 -0.184 0.000 2.103 100 K HA -0.174 4.146 4.320 0.000 0.000 0.204 100 K C 1.819 178.402 176.600 -0.028 0.000 1.052 100 K CA 1.439 57.649 56.287 -0.129 0.000 0.945 100 K CB -0.017 32.433 32.500 -0.083 0.000 0.722 100 K HN 0.384 nan 8.250 nan 0.000 0.443 101 E N 0.627 120.814 120.200 -0.022 0.000 2.077 101 E HA -0.152 4.198 4.350 0.000 0.000 0.193 101 E C 1.963 178.565 176.600 0.003 0.000 0.989 101 E CA 1.322 57.721 56.400 -0.001 0.000 0.800 101 E CB 0.117 29.814 29.700 -0.006 0.000 0.746 101 E HN 0.264 nan 8.360 nan 0.000 0.452 102 K N 0.467 120.859 120.400 -0.014 0.000 2.148 102 K HA -0.117 4.203 4.320 0.000 0.000 0.204 102 K C 2.231 178.851 176.600 0.034 0.000 1.050 102 K CA 0.724 57.009 56.287 -0.004 0.000 0.942 102 K CB -0.059 32.422 32.500 -0.032 0.000 0.724 102 K HN -0.013 nan 8.250 nan 0.000 0.446 103 R N 1.191 121.710 120.500 0.031 0.000 2.066 103 R HA -0.136 4.204 4.340 0.000 0.000 0.232 103 R C 1.440 177.792 176.300 0.088 0.000 1.131 103 R CA 1.703 57.848 56.100 0.075 0.000 0.955 103 R CB 0.012 30.333 30.300 0.035 0.000 0.851 103 R HN 0.093 nan 8.270 nan 0.000 0.432 104 D N 0.289 120.719 120.400 0.051 0.000 2.144 104 D HA -0.126 4.514 4.640 0.000 0.000 0.199 104 D C 1.678 178.004 176.300 0.043 0.000 0.984 104 D CA 1.460 55.483 54.000 0.039 0.000 0.834 104 D CB -0.191 40.631 40.800 0.037 0.000 0.955 104 D HN 0.373 nan 8.370 nan 0.000 0.465 105 A N 0.194 123.049 122.820 0.058 0.000 1.902 105 A HA -0.223 4.097 4.320 0.000 0.000 0.217 105 A C 2.181 179.830 177.584 0.109 0.000 1.181 105 A CA 1.167 53.242 52.037 0.063 0.000 0.623 105 A CB -1.014 18.018 19.000 0.054 0.000 0.818 105 A HN 0.301 nan 8.150 nan 0.000 0.443 106 Y N 0.747 121.037 120.300 -0.017 0.000 2.207 106 Y HA -0.165 4.385 4.550 0.000 0.000 0.287 106 Y C 2.313 178.206 175.900 -0.011 0.000 1.156 106 Y CA 1.600 59.690 58.100 -0.017 0.000 1.182 106 Y CB -0.514 37.934 38.460 -0.021 0.000 0.979 106 Y HN 0.064 nan 8.280 nan 0.000 0.521 107 V N -0.885 118.966 119.914 -0.105 0.000 2.427 107 V HA -0.262 3.858 4.120 0.000 0.000 0.248 107 V C 2.462 178.493 176.094 -0.106 0.000 1.051 107 V CA 1.997 64.182 62.300 -0.192 0.000 1.048 107 V CB -0.821 30.933 31.823 -0.116 0.000 0.666 107 V HN 0.372 nan 8.190 nan 0.000 0.456 108 S N -0.458 115.219 115.700 -0.039 0.000 2.368 108 S HA -0.180 4.290 4.470 0.000 0.000 0.225 108 S C 2.090 176.679 174.600 -0.018 0.000 1.030 108 S CA 1.387 59.578 58.200 -0.015 0.000 0.999 108 S CB -0.281 62.923 63.200 0.007 0.000 0.844 108 S HN 0.533 nan 8.310 nan 0.000 0.459 109 R N 0.771 121.264 120.500 -0.011 0.000 2.096 109 R HA -0.075 4.265 4.340 0.000 0.000 0.240 109 R C 2.243 178.509 176.300 -0.058 0.000 1.139 109 R CA 1.331 57.428 56.100 -0.005 0.000 0.952 109 R CB -0.681 29.661 30.300 0.069 0.000 0.854 109 R HN 0.377 nan 8.270 nan 0.000 0.436 110 L N 0.516 121.661 121.223 -0.130 0.000 2.093 110 L HA -0.165 4.175 4.340 0.000 0.000 0.208 110 L C 1.731 178.622 176.870 0.035 0.000 1.085 110 L CA 1.475 56.249 54.840 -0.109 0.000 0.755 110 L CB -0.601 41.378 42.059 -0.133 0.000 0.904 110 L HN 0.293 nan 8.230 nan 0.000 0.435 111 N N 0.291 119.014 118.700 0.037 0.000 2.223 111 N HA -0.156 4.584 4.740 0.000 0.000 0.185 111 N C 1.879 177.424 175.510 0.058 0.000 1.016 111 N CA 1.091 54.191 53.050 0.084 0.000 0.863 111 N CB -0.192 38.314 38.487 0.032 0.000 0.983 111 N HN 0.324 nan 8.380 nan 0.000 0.429 112 A N 0.810 123.633 122.820 0.006 0.000 2.016 112 A HA 0.047 4.367 4.320 0.000 0.000 0.217 112 A C 2.083 179.642 177.584 -0.041 0.000 1.162 112 A CA 0.556 52.587 52.037 -0.010 0.000 0.662 112 A CB -0.374 18.617 19.000 -0.016 0.000 0.812 112 A HN 0.174 nan 8.150 nan 0.000 0.450 113 I N -1.717 118.795 120.570 -0.098 0.000 2.226 113 I HA -0.285 3.885 4.170 0.000 0.000 0.245 113 I C 2.306 178.286 176.117 -0.229 0.000 1.100 113 I CA 1.466 62.650 61.300 -0.193 0.000 1.374 113 I CB -0.395 37.423 38.000 -0.304 0.000 1.057 113 I HN 0.423 nan 8.210 nan 0.000 0.413 114 Y N 0.547 120.816 120.300 -0.051 0.000 2.181 114 Y HA -0.310 4.240 4.550 0.000 0.000 0.288 114 Y C 2.821 178.690 175.900 -0.051 0.000 1.146 114 Y CA 1.673 59.743 58.100 -0.051 0.000 1.164 114 Y CB -0.345 38.082 38.460 -0.055 0.000 0.982 114 Y HN 0.202 nan 8.280 nan 0.000 0.515 115 Q N 0.595 120.448 119.800 0.088 0.000 2.084 115 Q HA -0.247 4.093 4.340 0.000 0.000 0.202 115 Q C 2.168 178.164 176.000 -0.006 0.000 0.978 115 Q CA 1.750 57.572 55.803 0.032 0.000 0.844 115 Q CB -0.318 28.429 28.738 0.015 0.000 0.898 115 Q HN 0.511 nan 8.270 nan 0.000 0.426 116 N N -0.264 118.420 118.700 -0.028 0.000 2.166 116 N HA -0.170 4.571 4.740 0.000 0.000 0.186 116 N C 1.237 176.711 175.510 -0.060 0.000 1.019 116 N CA 1.276 54.297 53.050 -0.048 0.000 0.856 116 N CB -0.113 38.340 38.487 -0.057 0.000 0.993 116 N HN 0.384 nan 8.380 nan 0.000 0.426 117 N N 0.411 119.078 118.700 -0.054 0.000 2.149 117 N HA -0.102 4.638 4.740 0.000 0.000 0.188 117 N C 1.848 177.332 175.510 -0.044 0.000 1.019 117 N CA 0.656 53.678 53.050 -0.048 0.000 0.857 117 N CB 0.074 38.546 38.487 -0.025 0.000 0.997 117 N HN 0.235 nan 8.380 nan 0.000 0.426 118 L N 0.463 121.671 121.223 -0.024 0.000 2.005 118 L HA -0.161 4.180 4.340 0.000 0.000 0.207 118 L C 2.952 179.772 176.870 -0.083 0.000 1.072 118 L CA 1.529 56.347 54.840 -0.037 0.000 0.744 118 L CB -1.230 40.816 42.059 -0.022 0.000 0.895 118 L HN 0.408 nan 8.230 nan 0.000 0.433 119 T N -1.526 112.979 114.554 -0.083 0.000 2.635 119 T HA -0.304 4.046 4.350 0.000 0.000 0.267 119 T C 1.828 176.382 174.700 -0.243 0.000 1.040 119 T CA 1.636 63.666 62.100 -0.117 0.000 1.156 119 T CB -0.371 68.455 68.868 -0.069 0.000 0.863 119 T HN 0.210 nan 8.240 nan 0.000 0.430 120 K N 0.734 121.004 120.400 -0.218 0.000 2.281 120 K HA 0.033 4.353 4.320 0.000 0.000 0.203 120 K C 2.467 178.771 176.600 -0.492 0.000 1.046 120 K CA 1.322 57.431 56.287 -0.296 0.000 0.938 120 K CB -0.155 32.255 32.500 -0.151 0.000 0.737 120 K HN 0.335 nan 8.250 nan 0.000 0.458 121 S N -0.697 114.790 115.700 -0.356 0.000 2.548 121 S HA 0.022 4.492 4.470 0.000 0.000 0.215 121 S C -0.479 174.006 174.600 -0.191 0.000 0.976 121 S CA -0.005 58.066 58.200 -0.215 0.000 0.908 121 S CB -0.066 63.086 63.200 -0.079 0.000 0.781 121 S HN 0.406 nan 8.310 nan 0.000 0.519 122 H N -0.681 118.390 119.070 0.002 0.000 2.969 122 H HA -0.116 4.440 4.556 0.000 0.000 0.269 122 H C -0.472 174.865 175.328 0.016 0.000 1.230 122 H CA 0.438 56.492 56.048 0.011 0.000 1.123 122 H CB -2.210 27.559 29.762 0.011 0.000 1.289 122 H HN 0.340 nan 8.280 nan 0.000 0.364 123 I N 1.322 121.902 120.570 0.017 0.000 2.371 123 I HA 0.080 4.250 4.170 0.000 0.000 0.290 123 I C 0.967 177.084 176.117 -0.000 0.000 1.028 123 I CA 0.028 61.335 61.300 0.011 0.000 1.345 123 I CB 1.058 39.044 38.000 -0.024 0.000 1.407 123 I HN 0.272 nan 8.210 nan 0.000 0.501 124 E N 6.503 126.703 120.200 0.000 0.000 2.331 124 E HA 0.377 4.727 4.350 0.000 0.000 0.272 124 E C -0.993 175.545 176.600 -0.103 0.000 1.036 124 E CA -0.444 55.946 56.400 -0.017 0.000 0.864 124 E CB 0.874 30.607 29.700 0.054 0.000 1.035 124 E HN 0.430 nan 8.360 nan 0.000 0.408 125 I N 5.692 126.212 120.570 -0.084 0.000 2.330 125 I HA 0.274 4.444 4.170 0.000 0.000 0.289 125 I C -0.408 175.629 176.117 -0.133 0.000 1.001 125 I CA -0.459 60.773 61.300 -0.114 0.000 1.193 125 I CB 1.109 39.065 38.000 -0.074 0.000 1.345 125 I HN 0.447 nan 8.210 nan 0.000 0.461 126 I N 6.437 126.883 120.570 -0.207 0.000 2.330 126 I HA 0.355 4.525 4.170 0.000 0.000 0.289 126 I C 0.110 176.118 176.117 -0.181 0.000 1.001 126 I CA -0.597 60.564 61.300 -0.231 0.000 1.193 126 I CB 1.101 38.827 38.000 -0.457 0.000 1.345 126 I HN 0.469 nan 8.210 nan 0.000 0.461 127 R N 4.172 124.602 120.500 -0.115 0.000 2.254 127 R HA 0.761 5.101 4.340 0.000 0.000 0.318 127 R C 0.046 176.294 176.300 -0.088 0.000 1.031 127 R CA 0.074 56.116 56.100 -0.096 0.000 0.905 127 R CB 1.448 31.707 30.300 -0.068 0.000 1.050 127 R HN 0.906 nan 8.270 nan 0.000 0.456 128 G N 0.988 109.729 108.800 -0.098 0.000 2.359 128 G HA2 -0.072 3.889 3.960 0.000 0.000 0.303 128 G HA3 -0.072 3.889 3.960 0.000 0.000 0.303 128 G C -1.939 172.933 174.900 -0.046 0.000 1.293 128 G CA -1.005 44.058 45.100 -0.062 0.000 0.964 128 G HN 0.698 nan 8.290 nan 0.000 0.531 129 H N 0.173 119.194 119.070 -0.081 0.000 2.488 129 H HA 0.784 5.341 4.556 0.000 0.000 0.322 129 H C 0.396 175.686 175.328 -0.063 0.000 1.078 129 H CA 0.513 56.526 56.048 -0.059 0.000 1.260 129 H CB 1.147 30.891 29.762 -0.029 0.000 1.425 129 H HN 0.972 nan 8.280 nan 0.000 0.471 130 A N 3.870 126.313 122.820 -0.628 0.000 2.293 130 A HA 0.818 5.138 4.320 0.000 0.000 0.302 130 A C -0.750 176.526 177.584 -0.514 0.000 1.119 130 A CA -0.051 51.718 52.037 -0.446 0.000 0.823 130 A CB 0.516 19.275 19.000 -0.402 0.000 1.097 130 A HN 0.973 nan 8.150 nan 0.000 0.491 131 A N 0.677 123.336 122.820 -0.269 0.000 2.520 131 A HA 0.679 4.999 4.320 0.000 0.000 0.298 131 A C -0.790 176.700 177.584 -0.157 0.000 1.051 131 A CA -0.593 51.362 52.037 -0.136 0.000 0.690 131 A CB 0.488 19.534 19.000 0.076 0.000 1.281 131 A HN 0.661 nan 8.150 nan 0.000 0.402 132 F N 1.260 121.221 119.950 0.019 0.000 2.490 132 F HA 0.414 4.942 4.527 0.000 0.000 0.336 132 F C 1.740 177.561 175.800 0.035 0.000 1.178 132 F CA 1.343 59.359 58.000 0.026 0.000 1.301 132 F CB 1.146 40.157 39.000 0.020 0.000 1.175 132 F HN 0.683 nan 8.300 nan 0.000 0.593 133 T N -2.669 112.042 114.554 0.261 0.000 2.937 133 T HA 0.282 4.632 4.350 0.000 0.000 0.283 133 T C 0.876 175.654 174.700 0.131 0.000 1.012 133 T CA -0.275 61.917 62.100 0.153 0.000 0.997 133 T CB 1.325 70.257 68.868 0.106 0.000 1.136 133 T HN 0.511 nan 8.240 nan 0.000 0.551 134 S N -0.058 115.693 115.700 0.085 0.000 2.423 134 S HA -0.044 4.426 4.470 0.000 0.000 0.231 134 S C 0.483 175.111 174.600 0.047 0.000 1.014 134 S CA 0.258 58.491 58.200 0.055 0.000 0.965 134 S CB -0.736 62.489 63.200 0.042 0.000 0.785 134 S HN 0.790 nan 8.310 nan 0.000 0.495 135 D N 3.463 123.897 120.400 0.056 0.000 2.548 135 D HA 0.036 4.676 4.640 0.000 0.000 0.231 135 D C -1.401 174.924 176.300 0.042 0.000 1.142 135 D CA -0.689 53.339 54.000 0.047 0.000 0.866 135 D CB 0.250 41.081 40.800 0.052 0.000 1.190 135 D HN 0.144 nan 8.370 nan 0.000 0.469 136 P HA -0.134 nan 4.420 nan 0.000 0.208 136 P C 0.307 177.620 177.300 0.022 0.000 1.195 136 P CA 1.238 64.349 63.100 0.018 0.000 0.927 136 P CB -0.037 31.671 31.700 0.014 0.000 0.778 137 K N 1.100 121.517 120.400 0.029 0.000 2.412 137 K HA 0.198 4.518 4.320 0.000 0.000 0.281 137 K C -2.381 174.258 176.600 0.066 0.000 1.027 137 K CA -1.777 54.532 56.287 0.037 0.000 0.989 137 K CB -0.557 31.964 32.500 0.035 0.000 0.935 137 K HN -0.011 nan 8.250 nan 0.000 0.475 138 P HA -0.033 nan 4.420 nan 0.000 0.256 138 P C -1.100 176.313 177.300 0.188 0.000 1.173 138 P CA 0.322 63.503 63.100 0.135 0.000 0.768 138 P CB 0.530 32.300 31.700 0.116 0.000 0.758 139 T N 3.781 118.474 114.554 0.232 0.000 2.956 139 T HA 0.616 4.966 4.350 0.000 0.000 0.312 139 T C 0.075 174.877 174.700 0.169 0.000 1.151 139 T CA -0.531 61.675 62.100 0.178 0.000 1.024 139 T CB 0.914 69.853 68.868 0.119 0.000 1.140 139 T HN 0.299 nan 8.240 nan 0.000 0.473 140 I N -0.721 119.892 120.570 0.071 0.000 2.863 140 I HA 0.861 5.031 4.170 0.000 0.000 0.311 140 I C -0.436 175.727 176.117 0.077 0.000 1.026 140 I CA -0.861 60.416 61.300 -0.039 0.000 1.077 140 I CB 1.983 39.842 38.000 -0.236 0.000 1.262 140 I HN 0.533 nan 8.210 nan 0.000 0.461 141 E N 2.627 122.855 120.200 0.048 0.000 2.234 141 E HA 0.639 4.989 4.350 0.000 0.000 0.266 141 E C -1.831 174.829 176.600 0.100 0.000 0.877 141 E CA -0.826 55.637 56.400 0.104 0.000 0.758 141 E CB 2.450 32.191 29.700 0.068 0.000 1.170 141 E HN 0.588 nan 8.360 nan 0.000 0.415 142 V N 3.196 123.219 119.914 0.181 0.000 2.462 142 V HA 0.224 4.344 4.120 0.000 0.000 0.288 142 V C -0.187 175.988 176.094 0.135 0.000 1.020 142 V CA -0.753 61.611 62.300 0.106 0.000 0.857 142 V CB 1.297 33.129 31.823 0.015 0.000 1.013 142 V HN 0.863 nan 8.190 nan 0.000 0.431 143 S N 3.759 119.513 115.700 0.090 0.000 3.858 143 S HA -0.157 4.313 4.470 0.000 0.000 0.356 143 S C 1.503 176.144 174.600 0.068 0.000 1.013 143 S CA 1.400 59.643 58.200 0.071 0.000 1.083 143 S CB -1.235 62.003 63.200 0.063 0.000 0.883 143 S HN 2.310 nan 8.310 nan 0.000 0.475 144 G N -0.046 108.790 108.800 0.060 0.000 2.284 144 G HA2 -0.347 3.613 3.960 0.000 0.000 0.261 144 G HA3 -0.347 3.613 3.960 0.000 0.000 0.261 144 G C -0.004 174.909 174.900 0.022 0.000 0.997 144 G CA 0.954 46.077 45.100 0.038 0.000 0.621 144 G HN 0.655 nan 8.290 nan 0.000 0.534 145 K N 0.705 121.129 120.400 0.041 0.000 2.098 145 K HA 0.534 4.854 4.320 0.000 0.000 0.258 145 K C 0.134 176.653 176.600 -0.135 0.000 0.973 145 K CA -0.530 55.714 56.287 -0.072 0.000 0.898 145 K CB 1.426 33.866 32.500 -0.100 0.000 1.057 145 K HN 0.137 nan 8.250 nan 0.000 0.447 146 K N 1.801 122.014 120.400 -0.311 0.000 2.118 146 K HA 0.416 4.736 4.320 0.000 0.000 0.254 146 K C -0.869 175.401 176.600 -0.548 0.000 0.961 146 K CA -0.607 55.540 56.287 -0.233 0.000 0.876 146 K CB 1.049 33.481 32.500 -0.113 0.000 1.077 146 K HN 0.447 nan 8.250 nan 0.000 0.440 147 Y N -0.963 119.369 120.300 0.052 0.000 2.562 147 Y HA 0.364 4.914 4.550 0.000 0.000 0.345 147 Y C 0.154 176.115 175.900 0.102 0.000 1.045 147 Y CA -0.774 57.389 58.100 0.105 0.000 1.028 147 Y CB 2.642 41.153 38.460 0.086 0.000 1.297 147 Y HN 0.546 nan 8.280 nan 0.000 0.463 148 T N 0.621 115.360 114.554 0.308 0.000 2.821 148 T HA 0.900 5.250 4.350 0.000 0.000 0.306 148 T C -1.877 172.974 174.700 0.252 0.000 1.313 148 T CA -0.220 62.012 62.100 0.219 0.000 1.012 148 T CB 1.407 70.360 68.868 0.141 0.000 1.298 148 T HN 1.161 nan 8.240 nan 0.000 0.502 149 A N 2.613 125.562 122.820 0.216 0.000 2.597 149 A HA 0.762 5.082 4.320 0.000 0.000 0.292 149 A C -2.593 175.092 177.584 0.168 0.000 1.057 149 A CA -1.029 51.153 52.037 0.241 0.000 0.674 149 A CB 1.089 20.288 19.000 0.331 0.000 1.278 149 A HN 0.558 nan 8.150 nan 0.000 0.416 150 P HA 0.092 nan 4.420 nan 0.000 0.236 150 P C -0.286 176.818 177.300 -0.327 0.000 1.177 150 P CA 1.057 64.090 63.100 -0.112 0.000 0.773 150 P CB 0.045 31.631 31.700 -0.190 0.000 0.878 151 H N 0.010 119.310 119.070 0.382 0.000 2.906 151 H HA 0.412 4.968 4.556 0.000 0.000 0.324 151 H C -0.235 175.452 175.328 0.598 0.000 0.973 151 H CA -0.630 55.761 56.048 0.572 0.000 1.321 151 H CB 1.548 31.643 29.762 0.554 0.000 1.535 151 H HN -0.002 nan 8.280 nan 0.000 0.518 152 I N 4.216 125.130 120.570 0.574 0.000 2.378 152 I HA 0.128 4.298 4.170 0.000 0.000 0.291 152 I C -0.372 175.985 176.117 0.400 0.000 0.992 152 I CA -0.843 60.674 61.300 0.361 0.000 1.154 152 I CB 2.075 40.240 38.000 0.274 0.000 1.315 152 I HN 0.221 nan 8.210 nan 0.000 0.448 153 L N 8.460 129.791 121.223 0.180 0.000 2.287 153 L HA 0.560 4.901 4.340 0.000 0.000 0.287 153 L C -0.681 176.243 176.870 0.091 0.000 1.022 153 L CA 0.001 54.951 54.840 0.183 0.000 0.814 153 L CB 0.890 43.003 42.059 0.090 0.000 1.217 153 L HN 0.403 nan 8.230 nan 0.000 0.420 154 I N 5.864 126.528 120.570 0.157 0.000 2.325 154 I HA 0.498 4.668 4.170 0.000 0.000 0.291 154 I C 0.425 176.592 176.117 0.082 0.000 1.019 154 I CA -0.109 61.257 61.300 0.110 0.000 1.302 154 I CB 1.458 39.558 38.000 0.168 0.000 1.401 154 I HN 0.822 nan 8.210 nan 0.000 0.485 155 A N 3.478 126.317 122.820 0.033 0.000 3.045 155 A HA 0.229 4.549 4.320 0.000 0.000 0.244 155 A C 0.839 178.431 177.584 0.014 0.000 0.917 155 A CA -0.329 51.727 52.037 0.032 0.000 1.075 155 A CB -0.356 18.652 19.000 0.014 0.000 1.202 155 A HN 0.735 nan 8.150 nan 0.000 0.486 156 T N -2.809 111.758 114.554 0.023 0.000 3.148 156 T HA 0.426 4.776 4.350 0.000 0.000 0.253 156 T C 1.355 176.073 174.700 0.030 0.000 1.134 156 T CA 1.000 63.110 62.100 0.015 0.000 1.051 156 T CB -0.376 68.504 68.868 0.019 0.000 0.959 156 T HN 1.994 nan 8.240 nan 0.000 0.525 157 G N 0.492 109.318 108.800 0.044 0.000 2.578 157 G HA2 0.182 4.142 3.960 0.000 0.000 0.275 157 G HA3 0.182 4.142 3.960 0.000 0.000 0.275 157 G C 0.131 175.067 174.900 0.060 0.000 1.271 157 G CA -0.294 44.837 45.100 0.051 0.000 0.941 157 G HN 1.210 nan 8.290 nan 0.000 0.564 158 G N -2.562 106.271 108.800 0.055 0.000 3.176 158 G HA2 0.863 4.823 3.960 0.000 0.000 0.272 158 G HA3 0.863 4.823 3.960 0.000 0.000 0.272 158 G C -0.711 174.208 174.900 0.032 0.000 1.349 158 G CA -0.242 44.890 45.100 0.053 0.000 0.953 158 G HN 1.007 nan 8.290 nan 0.000 0.559 159 M N -0.342 119.275 119.600 0.028 0.000 2.644 159 M HA 0.380 4.860 4.480 0.000 0.000 0.273 159 M C -2.890 173.423 176.300 0.022 0.000 1.253 159 M CA -1.442 53.869 55.300 0.018 0.000 0.852 159 M CB 3.086 35.686 32.600 0.001 0.000 1.708 159 M HN 0.152 nan 8.290 nan 0.000 0.471 160 P HA 0.130 nan 4.420 nan 0.000 0.276 160 P C -0.941 176.360 177.300 0.001 0.000 1.235 160 P CA -0.170 62.946 63.100 0.026 0.000 0.772 160 P CB 0.880 32.608 31.700 0.045 0.000 0.871 161 S N 2.282 117.980 115.700 -0.003 0.000 2.545 161 S HA 0.497 4.967 4.470 0.000 0.000 0.275 161 S C -0.126 174.420 174.600 -0.090 0.000 1.299 161 S CA -0.186 57.989 58.200 -0.042 0.000 1.048 161 S CB -0.362 62.823 63.200 -0.026 0.000 0.938 161 S HN 0.534 nan 8.310 nan 0.000 0.496 162 T N 3.048 117.492 114.554 -0.183 0.000 2.907 162 T HA 0.711 5.062 4.350 0.000 0.000 0.292 162 T C -3.065 171.351 174.700 -0.472 0.000 1.043 162 T CA -1.876 60.006 62.100 -0.362 0.000 1.003 162 T CB 1.187 69.880 68.868 -0.292 0.000 1.084 162 T HN 0.387 nan 8.240 nan 0.000 0.483 163 P HA 0.288 nan 4.420 nan 0.000 0.277 163 P C -0.338 176.701 177.300 -0.434 0.000 1.240 163 P CA -0.463 62.321 63.100 -0.527 0.000 0.798 163 P CB 0.289 31.567 31.700 -0.703 0.000 0.979 164 H N 1.446 120.393 119.070 -0.205 0.000 2.722 164 H HA 0.012 4.568 4.556 0.000 0.000 0.328 164 H C 1.111 176.377 175.328 -0.103 0.000 1.067 164 H CA 0.257 56.230 56.048 -0.126 0.000 1.447 164 H CB 1.072 30.780 29.762 -0.091 0.000 1.469 164 H HN 0.530 nan 8.280 nan 0.000 0.544 165 E N 1.861 122.062 120.200 0.002 0.000 2.171 165 E HA -0.204 4.146 4.350 0.000 0.000 0.197 165 E C 2.036 178.660 176.600 0.040 0.000 0.997 165 E CA 1.665 58.074 56.400 0.015 0.000 0.810 165 E CB 0.146 29.856 29.700 0.017 0.000 0.738 165 E HN 0.674 nan 8.360 nan 0.000 0.467 166 S N -0.256 115.486 115.700 0.070 0.000 2.419 166 S HA -0.286 4.184 4.470 0.000 0.000 0.233 166 S C 1.977 176.592 174.600 0.024 0.000 1.016 166 S CA 1.407 59.630 58.200 0.039 0.000 0.974 166 S CB -0.299 62.910 63.200 0.016 0.000 0.786 166 S HN 0.507 nan 8.310 nan 0.000 0.492 167 Q N 0.174 119.993 119.800 0.032 0.000 2.396 167 Q HA 0.420 4.760 4.340 0.000 0.000 0.220 167 Q C 0.325 176.333 176.000 0.013 0.000 0.900 167 Q CA 0.313 56.123 55.803 0.012 0.000 0.925 167 Q CB 0.117 28.856 28.738 0.002 0.000 1.065 167 Q HN 0.606 nan 8.270 nan 0.000 0.535 168 I N 2.364 122.938 120.570 0.008 0.000 2.560 168 I HA 0.391 4.561 4.170 0.000 0.000 0.278 168 I C -2.603 173.541 176.117 0.044 0.000 1.089 168 I CA -2.727 58.592 61.300 0.031 0.000 1.086 168 I CB 2.213 40.227 38.000 0.022 0.000 1.202 168 I HN -0.021 nan 8.210 nan 0.000 0.471 169 P HA 0.144 nan 4.420 nan 0.000 0.268 169 P C 0.895 178.239 177.300 0.074 0.000 1.204 169 P CA 0.591 63.721 63.100 0.049 0.000 0.768 169 P CB 0.736 32.459 31.700 0.039 0.000 0.842 170 G N 2.536 111.377 108.800 0.069 0.000 2.143 170 G HA2 -0.299 3.661 3.960 0.000 0.000 0.248 170 G HA3 -0.299 3.661 3.960 0.000 0.000 0.248 170 G C 1.125 176.116 174.900 0.151 0.000 0.991 170 G CA 0.329 45.482 45.100 0.088 0.000 0.689 170 G HN 0.669 nan 8.290 nan 0.000 0.522 171 A N 0.602 123.511 122.820 0.148 0.000 1.978 171 A HA 0.152 4.472 4.320 0.000 0.000 0.220 171 A C 2.619 180.384 177.584 0.302 0.000 1.170 171 A CA 2.576 54.766 52.037 0.254 0.000 0.636 171 A CB -0.658 18.274 19.000 -0.113 0.000 0.810 171 A HN 1.831 nan 8.150 nan 0.000 0.448 172 S N -0.528 115.250 115.700 0.130 0.000 2.595 172 S HA 0.079 4.549 4.470 0.000 0.000 0.235 172 S C 1.395 176.066 174.600 0.117 0.000 0.974 172 S CA 0.913 59.174 58.200 0.101 0.000 0.942 172 S CB -0.529 62.691 63.200 0.033 0.000 0.766 172 S HN 0.474 nan 8.310 nan 0.000 0.536 173 L N 0.867 122.170 121.223 0.133 0.000 2.558 173 L HA 0.316 4.656 4.340 0.000 0.000 0.225 173 L C 1.508 178.421 176.870 0.071 0.000 1.128 173 L CA 0.096 54.985 54.840 0.081 0.000 0.868 173 L CB -0.492 41.600 42.059 0.056 0.000 1.006 173 L HN 0.453 nan 8.230 nan 0.000 0.454 174 G N 0.287 109.180 108.800 0.155 0.000 2.488 174 G HA2 0.622 4.582 3.960 0.000 0.000 0.318 174 G HA3 0.622 4.582 3.960 0.000 0.000 0.318 174 G C -0.480 174.494 174.900 0.123 0.000 1.188 174 G CA -0.528 44.585 45.100 0.022 0.000 0.944 174 G HN 0.083 nan 8.290 nan 0.000 0.495 175 I N -2.111 118.484 120.570 0.041 0.000 3.217 175 I HA 0.870 5.041 4.170 0.000 0.000 0.308 175 I C 0.431 176.629 176.117 0.136 0.000 1.091 175 I CA -0.934 60.423 61.300 0.094 0.000 1.013 175 I CB 2.246 40.275 38.000 0.049 0.000 1.250 175 I HN 0.630 nan 8.210 nan 0.000 0.496 176 T N -1.788 112.844 114.554 0.130 0.000 2.804 176 T HA 0.310 4.660 4.350 0.000 0.000 0.272 176 T C 1.061 175.818 174.700 0.095 0.000 0.986 176 T CA 0.029 62.204 62.100 0.125 0.000 0.999 176 T CB 1.000 69.940 68.868 0.119 0.000 1.307 176 T HN 0.803 nan 8.240 nan 0.000 0.586 177 S N 0.117 115.855 115.700 0.064 0.000 2.400 177 S HA -0.158 4.312 4.470 0.000 0.000 0.232 177 S C 1.302 176.006 174.600 0.174 0.000 1.025 177 S CA 1.470 59.692 58.200 0.037 0.000 0.993 177 S CB -0.960 62.248 63.200 0.014 0.000 0.808 177 S HN 0.711 nan 8.310 nan 0.000 0.478 178 D N 2.369 122.888 120.400 0.197 0.000 2.092 178 D HA 0.006 4.647 4.640 0.000 0.000 0.193 178 D C 2.237 178.669 176.300 0.220 0.000 0.994 178 D CA 1.555 55.698 54.000 0.239 0.000 0.828 178 D CB -1.100 39.785 40.800 0.142 0.000 0.963 178 D HN 0.541 nan 8.370 nan 0.000 0.450 179 G N -0.260 108.630 108.800 0.150 0.000 2.448 179 G HA2 -0.262 3.698 3.960 0.000 0.000 0.219 179 G HA3 -0.262 3.698 3.960 0.000 0.000 0.219 179 G C 1.458 176.419 174.900 0.102 0.000 1.127 179 G CA 0.244 45.411 45.100 0.113 0.000 0.766 179 G HN 0.284 nan 8.290 nan 0.000 0.552 180 F N 0.613 120.511 119.950 -0.087 0.000 2.216 180 F HA 0.058 4.585 4.527 0.000 0.000 0.300 180 F C 1.728 177.404 175.800 -0.206 0.000 1.085 180 F CA 0.912 58.789 58.000 -0.204 0.000 1.326 180 F CB 0.009 38.772 39.000 -0.395 0.000 1.027 180 F HN 0.102 nan 8.300 nan 0.000 0.497 181 F N 0.237 120.316 119.950 0.215 0.000 2.789 181 F HA 0.085 4.612 4.527 0.000 0.000 0.300 181 F C 2.048 177.896 175.800 0.080 0.000 1.132 181 F CA 0.542 58.626 58.000 0.141 0.000 1.404 181 F CB -0.529 38.580 39.000 0.183 0.000 1.114 181 F HN 0.089 nan 8.300 nan 0.000 0.584 182 Q N -0.233 119.681 119.800 0.190 0.000 2.384 182 Q HA 0.167 4.507 4.340 0.000 0.000 0.207 182 Q C 0.603 176.652 176.000 0.082 0.000 0.904 182 Q CA 0.008 55.889 55.803 0.131 0.000 0.933 182 Q CB 0.643 29.441 28.738 0.099 0.000 1.077 182 Q HN 0.307 nan 8.270 nan 0.000 0.522 183 L N 1.825 123.066 121.223 0.029 0.000 2.485 183 L HA -0.054 4.286 4.340 0.000 0.000 0.275 183 L C 1.340 178.269 176.870 0.097 0.000 1.207 183 L CA 0.527 55.341 54.840 -0.042 0.000 0.855 183 L CB 0.415 42.338 42.059 -0.228 0.000 1.114 183 L HN 0.207 nan 8.230 nan 0.000 0.485 184 E N 1.218 121.399 120.200 -0.032 0.000 2.413 184 E HA 0.089 4.439 4.350 0.000 0.000 0.203 184 E C -0.252 176.303 176.600 -0.075 0.000 0.957 184 E CA 0.189 56.621 56.400 0.053 0.000 0.950 184 E CB 0.807 30.525 29.700 0.030 0.000 0.957 184 E HN 0.599 nan 8.360 nan 0.000 0.497 185 E N 1.016 120.967 120.200 -0.414 0.000 2.320 185 E HA 0.310 4.660 4.350 0.000 0.000 0.264 185 E C -0.686 175.273 176.600 -1.068 0.000 0.923 185 E CA -1.092 54.992 56.400 -0.526 0.000 0.796 185 E CB 2.027 31.571 29.700 -0.260 0.000 1.262 185 E HN -0.090 nan 8.360 nan 0.000 0.428 186 L N 3.099 123.853 121.223 -0.782 0.000 2.369 186 L HA 0.243 4.583 4.340 0.000 0.000 0.279 186 L C -2.301 174.317 176.870 -0.420 0.000 1.108 186 L CA -1.280 53.120 54.840 -0.732 0.000 0.852 186 L CB 0.001 42.039 42.059 -0.035 0.000 1.169 186 L HN 0.198 nan 8.230 nan 0.000 0.452 187 P HA 0.129 nan 4.420 nan 0.000 0.264 187 P C 0.656 177.876 177.300 -0.135 0.000 1.193 187 P CA 0.031 62.991 63.100 -0.233 0.000 0.763 187 P CB 0.869 32.449 31.700 -0.201 0.000 0.810 188 G N 2.648 111.388 108.800 -0.099 0.000 2.403 188 G HA2 -0.133 3.827 3.960 0.000 0.000 0.216 188 G HA3 -0.133 3.827 3.960 0.000 0.000 0.216 188 G C 0.619 175.490 174.900 -0.049 0.000 1.154 188 G CA 0.485 45.550 45.100 -0.060 0.000 0.784 188 G HN 0.518 nan 8.290 nan 0.000 0.538 189 R N 0.094 120.558 120.500 -0.059 0.000 2.538 189 R HA 0.518 4.858 4.340 0.000 0.000 0.292 189 R C -1.205 175.057 176.300 -0.062 0.000 1.008 189 R CA -0.212 55.857 56.100 -0.052 0.000 0.896 189 R CB 1.681 31.952 30.300 -0.048 0.000 1.187 189 R HN 0.145 nan 8.270 nan 0.000 0.440 190 S N 1.669 117.336 115.700 -0.055 0.000 2.541 190 S HA 0.745 5.216 4.470 0.000 0.000 0.280 190 S C -1.220 173.338 174.600 -0.070 0.000 1.112 190 S CA -0.791 57.370 58.200 -0.064 0.000 0.925 190 S CB 2.053 65.226 63.200 -0.045 0.000 1.067 190 S HN 0.259 nan 8.310 nan 0.000 0.479 191 V N 2.911 122.764 119.914 -0.102 0.000 2.483 191 V HA 0.506 4.626 4.120 0.000 0.000 0.297 191 V C -0.855 175.143 176.094 -0.160 0.000 1.027 191 V CA -0.536 61.691 62.300 -0.121 0.000 0.855 191 V CB 1.299 33.040 31.823 -0.136 0.000 0.995 191 V HN 0.929 nan 8.190 nan 0.000 0.424 192 I N 4.914 125.408 120.570 -0.126 0.000 2.377 192 I HA 0.493 4.663 4.170 0.000 0.000 0.293 192 I C -0.433 175.613 176.117 -0.117 0.000 0.987 192 I CA -0.735 60.488 61.300 -0.129 0.000 1.185 192 I CB 2.071 40.018 38.000 -0.089 0.000 1.341 192 I HN 0.284 nan 8.210 nan 0.000 0.455 193 V N 5.419 125.260 119.914 -0.121 0.000 2.328 193 V HA 0.920 5.040 4.120 0.000 0.000 0.278 193 V C 0.355 176.474 176.094 0.041 0.000 1.021 193 V CA -0.344 61.937 62.300 -0.032 0.000 0.838 193 V CB 0.582 32.400 31.823 -0.008 0.000 0.999 193 V HN 1.035 nan 8.190 nan 0.000 0.447 194 G N 3.508 112.323 108.800 0.025 0.000 2.337 194 G HA2 0.514 4.474 3.960 0.000 0.000 0.310 194 G HA3 0.514 4.474 3.960 0.000 0.000 0.310 194 G C -0.313 174.585 174.900 -0.002 0.000 1.534 194 G CA 0.045 45.162 45.100 0.029 0.000 0.982 194 G HN 1.055 nan 8.290 nan 0.000 0.672 195 A N -0.360 122.462 122.820 0.003 0.000 2.545 195 A HA 0.758 5.078 4.320 0.000 0.000 0.263 195 A C 1.276 178.851 177.584 -0.015 0.000 1.202 195 A CA 1.301 53.330 52.037 -0.013 0.000 0.959 195 A CB 0.024 19.024 19.000 0.001 0.000 1.124 195 A HN 2.034 nan 8.150 nan 0.000 0.543 196 G N -1.324 107.474 108.800 -0.004 0.000 2.588 196 G HA2 0.310 4.270 3.960 0.000 0.000 0.281 196 G HA3 0.310 4.270 3.960 0.000 0.000 0.281 196 G C 0.699 175.597 174.900 -0.004 0.000 1.236 196 G CA 0.139 45.256 45.100 0.028 0.000 0.969 196 G HN 0.623 nan 8.290 nan 0.000 0.504 197 Y N -1.034 119.258 120.300 -0.014 0.000 2.224 197 Y HA -0.076 4.474 4.550 0.000 0.000 0.289 197 Y C 2.288 178.178 175.900 -0.017 0.000 1.146 197 Y CA 1.361 59.438 58.100 -0.038 0.000 1.182 197 Y CB -0.379 38.087 38.460 0.009 0.000 0.983 197 Y HN 0.232 nan 8.280 nan 0.000 0.524 198 I N 1.154 121.267 120.570 -0.762 0.000 2.179 198 I HA -0.287 3.883 4.170 0.000 0.000 0.242 198 I C 2.897 178.856 176.117 -0.264 0.000 1.088 198 I CA 1.237 62.195 61.300 -0.571 0.000 1.357 198 I CB -0.820 36.840 38.000 -0.565 0.000 1.051 198 I HN 0.445 nan 8.210 nan 0.000 0.409 199 A N 0.715 123.420 122.820 -0.192 0.000 1.859 199 A HA -0.199 4.121 4.320 0.000 0.000 0.217 199 A C 2.443 179.974 177.584 -0.087 0.000 1.198 199 A CA 2.217 54.183 52.037 -0.118 0.000 0.629 199 A CB -1.161 17.794 19.000 -0.075 0.000 0.830 199 A HN 0.236 nan 8.150 nan 0.000 0.446 200 V N 0.314 120.188 119.914 -0.066 0.000 2.287 200 V HA -0.313 3.807 4.120 0.000 0.000 0.248 200 V C 2.467 178.571 176.094 0.016 0.000 1.053 200 V CA 2.464 64.749 62.300 -0.025 0.000 1.027 200 V CB -0.998 30.807 31.823 -0.030 0.000 0.646 200 V HN 0.675 nan 8.190 nan 0.000 0.447 201 E N -0.183 120.026 120.200 0.015 0.000 2.047 201 E HA -0.195 4.155 4.350 0.000 0.000 0.191 201 E C 2.310 178.919 176.600 0.015 0.000 0.987 201 E CA 1.536 57.978 56.400 0.070 0.000 0.799 201 E CB -0.261 29.503 29.700 0.105 0.000 0.752 201 E HN 0.508 nan 8.360 nan 0.000 0.449 202 M N 0.842 120.366 119.600 -0.128 0.000 2.086 202 M HA -0.110 4.370 4.480 0.000 0.000 0.261 202 M C 2.650 178.909 176.300 -0.069 0.000 1.067 202 M CA 1.453 56.613 55.300 -0.233 0.000 1.116 202 M CB -0.956 31.393 32.600 -0.418 0.000 1.348 202 M HN 0.088 nan 8.290 nan 0.000 0.407 203 A N 1.185 123.985 122.820 -0.033 0.000 1.917 203 A HA -0.088 4.232 4.320 0.000 0.000 0.219 203 A C 2.497 180.113 177.584 0.055 0.000 1.182 203 A CA 2.258 54.299 52.037 0.005 0.000 0.633 203 A CB -1.595 17.401 19.000 -0.006 0.000 0.819 203 A HN 0.586 nan 8.150 nan 0.000 0.448 204 G N -0.475 108.395 108.800 0.115 0.000 2.408 204 G HA2 -0.101 3.859 3.960 0.000 0.000 0.217 204 G HA3 -0.101 3.859 3.960 0.000 0.000 0.217 204 G C 1.506 176.504 174.900 0.163 0.000 1.150 204 G CA 1.061 46.287 45.100 0.209 0.000 0.776 204 G HN 0.492 nan 8.290 nan 0.000 0.542 205 I N 0.110 120.812 120.570 0.219 0.000 2.233 205 I HA -0.026 4.144 4.170 0.000 0.000 0.243 205 I C 2.652 178.866 176.117 0.161 0.000 1.093 205 I CA 0.478 61.903 61.300 0.207 0.000 1.380 205 I CB -0.152 38.016 38.000 0.280 0.000 1.067 205 I HN 0.092 nan 8.210 nan 0.000 0.413 206 L N -0.345 120.997 121.223 0.197 0.000 2.046 206 L HA -0.237 4.103 4.340 0.000 0.000 0.208 206 L C 2.724 179.646 176.870 0.087 0.000 1.077 206 L CA 1.354 56.312 54.840 0.196 0.000 0.747 206 L CB -0.583 41.585 42.059 0.183 0.000 0.896 206 L HN 0.227 nan 8.230 nan 0.000 0.432 207 S N -0.453 115.269 115.700 0.037 0.000 2.348 207 S HA -0.192 4.278 4.470 0.000 0.000 0.221 207 S C 2.146 176.723 174.600 -0.039 0.000 1.033 207 S CA 1.330 59.527 58.200 -0.005 0.000 1.010 207 S CB -0.180 63.009 63.200 -0.018 0.000 0.891 207 S HN 0.445 nan 8.310 nan 0.000 0.442 208 A N 1.086 123.841 122.820 -0.108 0.000 1.978 208 A HA 0.029 4.349 4.320 0.000 0.000 0.220 208 A C 2.031 179.532 177.584 -0.138 0.000 1.170 208 A CA 1.335 53.268 52.037 -0.173 0.000 0.636 208 A CB -0.678 18.104 19.000 -0.364 0.000 0.810 208 A HN 0.590 nan 8.150 nan 0.000 0.448 209 L N -1.707 119.442 121.223 -0.123 0.000 2.554 209 L HA 0.179 4.519 4.340 0.000 0.000 0.226 209 L C 1.670 178.538 176.870 -0.003 0.000 1.137 209 L CA 0.591 55.324 54.840 -0.178 0.000 0.863 209 L CB -0.152 41.786 42.059 -0.202 0.000 0.985 209 L HN 0.606 nan 8.230 nan 0.000 0.451 210 G N -0.748 108.066 108.800 0.025 0.000 2.184 210 G HA2 -0.242 3.718 3.960 0.000 0.000 0.206 210 G HA3 -0.242 3.718 3.960 0.000 0.000 0.206 210 G C 0.333 175.259 174.900 0.044 0.000 0.995 210 G CA 0.161 45.292 45.100 0.051 0.000 0.651 210 G HN 0.236 nan 8.290 nan 0.000 0.511 211 S N 0.055 115.780 115.700 0.043 0.000 2.549 211 S HA 0.456 4.926 4.470 0.000 0.000 0.279 211 S C 0.634 175.237 174.600 0.005 0.000 1.321 211 S CA 0.249 58.460 58.200 0.019 0.000 1.054 211 S CB 0.777 63.989 63.200 0.020 0.000 0.899 211 S HN 0.590 nan 8.310 nan 0.000 0.497 212 K N 3.728 124.123 120.400 -0.008 0.000 2.262 212 K HA 0.215 4.536 4.320 0.000 0.000 0.288 212 K C -0.720 175.868 176.600 -0.019 0.000 1.090 212 K CA 0.006 56.284 56.287 -0.014 0.000 0.918 212 K CB -0.127 32.364 32.500 -0.016 0.000 1.139 212 K HN 0.508 nan 8.250 nan 0.000 0.462 213 T N 2.511 117.056 114.554 -0.016 0.000 2.823 213 T HA 0.361 4.711 4.350 0.000 0.000 0.279 213 T C -0.763 173.922 174.700 -0.025 0.000 0.998 213 T CA -0.748 61.341 62.100 -0.020 0.000 0.994 213 T CB 1.628 70.492 68.868 -0.007 0.000 0.960 213 T HN 0.436 nan 8.240 nan 0.000 0.448 214 S N 1.953 117.632 115.700 -0.035 0.000 2.513 214 S HA 0.682 5.153 4.470 0.000 0.000 0.299 214 S C -1.189 173.384 174.600 -0.046 0.000 1.087 214 S CA -0.727 57.450 58.200 -0.038 0.000 1.012 214 S CB 1.391 64.565 63.200 -0.043 0.000 1.044 214 S HN 0.564 nan 8.310 nan 0.000 0.485 215 L N 3.304 124.503 121.223 -0.041 0.000 2.342 215 L HA 0.578 4.918 4.340 0.000 0.000 0.276 215 L C -0.772 176.072 176.870 -0.044 0.000 0.997 215 L CA -0.265 54.548 54.840 -0.045 0.000 0.838 215 L CB 1.158 43.195 42.059 -0.037 0.000 1.224 215 L HN 0.774 nan 8.230 nan 0.000 0.416 216 M N 7.355 126.927 119.600 -0.048 0.000 2.063 216 M HA 0.466 4.946 4.480 0.000 0.000 0.348 216 M C -0.974 175.310 176.300 -0.028 0.000 1.180 216 M CA -0.525 54.753 55.300 -0.038 0.000 1.059 216 M CB 0.437 33.014 32.600 -0.039 0.000 1.544 216 M HN 0.694 nan 8.290 nan 0.000 0.447 217 I N 2.261 122.804 120.570 -0.046 0.000 2.474 217 I HA 0.473 4.644 4.170 0.000 0.000 0.294 217 I C 0.295 176.352 176.117 -0.100 0.000 1.005 217 I CA -0.867 60.400 61.300 -0.056 0.000 1.113 217 I CB 1.913 39.868 38.000 -0.075 0.000 1.289 217 I HN 0.714 nan 8.210 nan 0.000 0.436 218 R N 3.033 123.491 120.500 -0.069 0.000 2.316 218 R HA 0.156 4.496 4.340 0.000 0.000 0.202 218 R C 0.401 176.403 176.300 -0.497 0.000 1.029 218 R CA 0.668 56.669 56.100 -0.166 0.000 1.018 218 R CB -0.326 29.919 30.300 -0.091 0.000 0.888 218 R HN 0.722 nan 8.270 nan 0.000 0.471 219 H N -0.445 118.374 119.070 -0.419 0.000 3.917 219 H HA 0.106 4.662 4.556 0.000 0.000 0.340 219 H C 0.351 175.010 175.328 -1.115 0.000 1.557 219 H CA -0.356 55.219 56.048 -0.789 0.000 1.383 219 H CB 0.599 30.180 29.762 -0.301 0.000 0.899 219 H HN 0.055 nan 8.280 nan 0.000 0.779 220 D N 0.098 120.170 120.400 -0.547 0.000 2.441 220 D HA 0.146 4.786 4.640 0.000 0.000 0.210 220 D C 0.023 176.242 176.300 -0.135 0.000 1.102 220 D CA 0.262 54.056 54.000 -0.344 0.000 0.840 220 D CB 1.283 42.050 40.800 -0.055 0.000 0.990 220 D HN 0.138 nan 8.370 nan 0.000 0.505 221 K N 0.259 120.598 120.400 -0.102 0.000 2.512 221 K HA 0.471 4.791 4.320 0.000 0.000 0.263 221 K C -0.636 175.925 176.600 -0.066 0.000 0.966 221 K CA -1.022 55.226 56.287 -0.065 0.000 0.851 221 K CB 3.385 35.858 32.500 -0.044 0.000 1.395 221 K HN -0.068 nan 8.250 nan 0.000 0.440 222 V N -0.544 119.329 119.914 -0.068 0.000 2.997 222 V HA 0.465 4.585 4.120 0.000 0.000 0.311 222 V C 0.431 176.466 176.094 -0.100 0.000 1.066 222 V CA -0.853 61.402 62.300 -0.075 0.000 1.039 222 V CB 0.412 32.183 31.823 -0.086 0.000 1.081 222 V HN 0.827 nan 8.190 nan 0.000 0.467 223 L N -0.608 120.551 121.223 -0.107 0.000 3.660 223 L HA -0.195 4.145 4.340 0.000 0.000 0.440 223 L C 1.742 178.622 176.870 0.017 0.000 1.262 223 L CA 0.593 55.342 54.840 -0.151 0.000 0.837 223 L CB -1.390 40.309 42.059 -0.599 0.000 1.689 223 L HN 0.830 nan 8.230 nan 0.000 0.890 224 R N 0.401 120.914 120.500 0.023 0.000 2.293 224 R HA -0.100 4.240 4.340 0.000 0.000 0.219 224 R C 2.111 178.449 176.300 0.063 0.000 1.091 224 R CA 1.397 57.504 56.100 0.012 0.000 1.004 224 R CB -0.052 30.208 30.300 -0.068 0.000 0.865 224 R HN 0.737 nan 8.270 nan 0.000 0.469 225 S N -0.648 115.152 115.700 0.167 0.000 2.575 225 S HA 0.092 4.562 4.470 0.000 0.000 0.215 225 S C 0.374 175.037 174.600 0.105 0.000 0.966 225 S CA -0.372 57.901 58.200 0.122 0.000 0.911 225 S CB 0.042 63.294 63.200 0.086 0.000 0.780 225 S HN -0.050 nan 8.310 nan 0.000 0.514 226 F N 2.747 122.659 119.950 -0.064 0.000 2.368 226 F HA 0.398 4.925 4.527 0.000 0.000 0.315 226 F C 0.991 176.694 175.800 -0.162 0.000 1.145 226 F CA -1.817 56.126 58.000 -0.095 0.000 1.095 226 F CB 0.195 39.152 39.000 -0.071 0.000 1.286 226 F HN 0.087 nan 8.300 nan 0.000 0.530 227 D N 0.303 120.621 120.400 -0.136 0.000 2.449 227 D HA -0.089 4.551 4.640 0.000 0.000 0.236 227 D C 1.167 177.412 176.300 -0.092 0.000 1.149 227 D CA 0.449 54.283 54.000 -0.277 0.000 0.878 227 D CB 1.081 41.421 40.800 -0.767 0.000 1.198 227 D HN 0.614 nan 8.370 nan 0.000 0.446 228 S N 3.380 119.037 115.700 -0.071 0.000 2.474 228 S HA -0.225 4.245 4.470 0.000 0.000 0.235 228 S C 2.014 176.603 174.600 -0.019 0.000 0.997 228 S CA 0.800 58.983 58.200 -0.029 0.000 0.949 228 S CB -0.243 62.943 63.200 -0.024 0.000 0.766 228 S HN 0.688 nan 8.310 nan 0.000 0.517 229 M N 0.474 120.059 119.600 -0.026 0.000 2.175 229 M HA 0.016 4.496 4.480 0.000 0.000 0.264 229 M C 1.365 177.668 176.300 0.005 0.000 1.063 229 M CA 1.468 56.767 55.300 -0.002 0.000 1.119 229 M CB -0.130 32.480 32.600 0.017 0.000 1.377 229 M HN 0.283 nan 8.290 nan 0.000 0.415 230 I N 0.345 120.920 120.570 0.009 0.000 2.333 230 I HA -0.145 4.025 4.170 0.000 0.000 0.246 230 I C 2.676 178.777 176.117 -0.026 0.000 1.106 230 I CA 1.499 62.810 61.300 0.018 0.000 1.411 230 I CB -1.670 36.386 38.000 0.093 0.000 1.082 230 I HN 0.434 nan 8.210 nan 0.000 0.420 231 S N -0.155 115.533 115.700 -0.020 0.000 2.402 231 S HA -0.131 4.339 4.470 0.000 0.000 0.229 231 S C 1.959 176.535 174.600 -0.040 0.000 1.021 231 S CA 1.578 59.748 58.200 -0.050 0.000 0.974 231 S CB -0.916 62.261 63.200 -0.038 0.000 0.800 231 S HN 0.393 nan 8.310 nan 0.000 0.484 232 T N 2.445 116.986 114.554 -0.022 0.000 2.770 232 T HA 0.000 4.350 4.350 0.000 0.000 0.263 232 T C 1.832 176.523 174.700 -0.015 0.000 1.039 232 T CA 1.524 63.616 62.100 -0.014 0.000 1.142 232 T CB -0.690 68.175 68.868 -0.004 0.000 0.868 232 T HN 0.590 nan 8.240 nan 0.000 0.435 233 N N 0.215 118.907 118.700 -0.014 0.000 2.166 233 N HA -0.097 4.643 4.740 0.000 0.000 0.186 233 N C 2.042 177.540 175.510 -0.019 0.000 1.019 233 N CA 1.091 54.134 53.050 -0.012 0.000 0.856 233 N CB -0.588 37.895 38.487 -0.007 0.000 0.993 233 N HN 0.381 nan 8.380 nan 0.000 0.426 234 C N -0.459 118.819 119.300 -0.036 0.000 2.425 234 C HA -0.022 4.438 4.460 0.000 0.000 0.277 234 C C 2.434 177.402 174.990 -0.036 0.000 1.280 234 C CA 1.528 60.518 59.018 -0.047 0.000 1.744 234 C CB -1.523 26.156 27.740 -0.101 0.000 1.989 234 C HN 0.516 nan 8.230 nan 0.000 0.491 235 T N 0.620 115.152 114.554 -0.037 0.000 2.867 235 T HA -0.115 4.235 4.350 0.000 0.000 0.268 235 T C 1.557 176.247 174.700 -0.017 0.000 1.057 235 T CA 1.651 63.733 62.100 -0.030 0.000 1.136 235 T CB -0.286 68.563 68.868 -0.032 0.000 0.874 235 T HN 0.708 nan 8.240 nan 0.000 0.466 236 E N 1.049 121.242 120.200 -0.013 0.000 2.072 236 E HA -0.099 4.251 4.350 0.000 0.000 0.191 236 E C 2.360 178.957 176.600 -0.005 0.000 0.985 236 E CA 0.698 57.094 56.400 -0.007 0.000 0.801 236 E CB -0.057 29.640 29.700 -0.006 0.000 0.750 236 E HN 0.424 nan 8.360 nan 0.000 0.452 237 E N 0.958 121.157 120.200 -0.001 0.000 2.106 237 E HA -0.131 4.219 4.350 0.000 0.000 0.192 237 E C 2.307 178.917 176.600 0.016 0.000 0.984 237 E CA 0.570 56.976 56.400 0.010 0.000 0.806 237 E CB -0.125 29.589 29.700 0.023 0.000 0.750 237 E HN 0.294 nan 8.360 nan 0.000 0.458 238 L N 0.827 122.056 121.223 0.011 0.000 2.042 238 L HA -0.209 4.131 4.340 0.000 0.000 0.210 238 L C 2.388 179.258 176.870 0.000 0.000 1.076 238 L CA 1.384 56.231 54.840 0.012 0.000 0.749 238 L CB -0.303 41.758 42.059 0.003 0.000 0.893 238 L HN 0.093 nan 8.230 nan 0.000 0.432 239 E N -0.275 119.922 120.200 -0.005 0.000 2.072 239 E HA -0.163 4.187 4.350 0.000 0.000 0.191 239 E C 1.852 178.445 176.600 -0.011 0.000 0.985 239 E CA 0.876 57.271 56.400 -0.009 0.000 0.801 239 E CB -0.042 29.653 29.700 -0.008 0.000 0.750 239 E HN 0.446 nan 8.360 nan 0.000 0.452 240 N N 0.538 119.232 118.700 -0.010 0.000 2.381 240 N HA -0.091 4.649 4.740 0.000 0.000 0.182 240 N C 1.163 176.662 175.510 -0.018 0.000 1.025 240 N CA 0.936 53.977 53.050 -0.014 0.000 0.888 240 N CB 0.041 38.520 38.487 -0.014 0.000 0.965 240 N HN 0.081 nan 8.380 nan 0.000 0.438 241 A N -0.478 122.334 122.820 -0.014 0.000 2.275 241 A HA 0.486 4.806 4.320 0.000 0.000 0.212 241 A C 1.409 178.974 177.584 -0.031 0.000 1.201 241 A CA 0.574 52.598 52.037 -0.022 0.000 0.843 241 A CB -0.114 18.874 19.000 -0.019 0.000 0.873 241 A HN 0.268 nan 8.150 nan 0.000 0.492 242 G N -1.564 107.221 108.800 -0.026 0.000 2.159 242 G HA2 -0.178 3.782 3.960 0.000 0.000 0.227 242 G HA3 -0.178 3.782 3.960 0.000 0.000 0.227 242 G C 0.094 174.981 174.900 -0.020 0.000 0.986 242 G CA 0.018 45.102 45.100 -0.027 0.000 0.651 242 G HN 0.733 nan 8.290 nan 0.000 0.523 243 V N 1.217 121.122 119.914 -0.016 0.000 2.498 243 V HA 0.448 4.568 4.120 0.000 0.000 0.279 243 V C 0.698 176.783 176.094 -0.015 0.000 1.048 243 V CA -0.159 62.133 62.300 -0.013 0.000 0.967 243 V CB 1.737 33.556 31.823 -0.007 0.000 0.988 243 V HN 0.428 nan 8.190 nan 0.000 0.473 244 E N 4.569 124.758 120.200 -0.017 0.000 2.044 244 E HA 0.316 4.666 4.350 0.000 0.000 0.282 244 E C -1.092 175.496 176.600 -0.020 0.000 1.031 244 E CA -0.518 55.872 56.400 -0.017 0.000 0.824 244 E CB 1.225 30.915 29.700 -0.017 0.000 1.076 244 E HN 0.520 nan 8.360 nan 0.000 0.395 245 V N 7.001 126.903 119.914 -0.019 0.000 2.389 245 V HA 0.122 4.242 4.120 0.000 0.000 0.264 245 V C 0.378 176.460 176.094 -0.021 0.000 1.049 245 V CA -0.421 61.863 62.300 -0.026 0.000 0.932 245 V CB 0.640 32.445 31.823 -0.029 0.000 1.011 245 V HN 0.688 nan 8.190 nan 0.000 0.475 246 L N 6.699 127.908 121.223 -0.024 0.000 2.334 246 L HA 0.333 4.673 4.340 0.000 0.000 0.286 246 L C 0.626 177.479 176.870 -0.027 0.000 1.108 246 L CA -0.196 54.636 54.840 -0.013 0.000 0.875 246 L CB -0.021 42.030 42.059 -0.014 0.000 1.246 246 L HN 0.612 nan 8.230 nan 0.000 0.439 247 K N 3.057 123.443 120.400 -0.023 0.000 2.168 247 K HA 0.267 4.587 4.320 0.000 0.000 0.258 247 K C 0.206 176.790 176.600 -0.027 0.000 1.010 247 K CA -0.670 55.547 56.287 -0.116 0.000 0.929 247 K CB 0.421 32.846 32.500 -0.125 0.000 0.998 247 K HN 0.276 nan 8.250 nan 0.000 0.479 248 F N -0.457 119.473 119.950 -0.033 0.000 3.097 248 F HA -0.293 4.235 4.527 0.000 0.000 0.278 248 F C -0.104 175.666 175.800 -0.050 0.000 0.917 248 F CA 0.299 58.257 58.000 -0.071 0.000 0.962 248 F CB -1.914 37.049 39.000 -0.062 0.000 0.964 248 F HN 0.306 nan 8.300 nan 0.000 0.668 249 S N -0.434 115.290 115.700 0.040 0.000 2.621 249 S HA 0.807 5.277 4.470 0.000 0.000 0.302 249 S C -0.243 174.376 174.600 0.032 0.000 1.093 249 S CA -0.800 57.427 58.200 0.045 0.000 1.017 249 S CB 2.739 65.958 63.200 0.032 0.000 1.077 249 S HN 0.402 nan 8.310 nan 0.000 0.517 250 Q N -0.497 119.330 119.800 0.045 0.000 2.435 250 Q HA 0.609 4.949 4.340 0.000 0.000 0.282 250 Q C -1.936 174.111 176.000 0.077 0.000 1.020 250 Q CA -0.955 54.887 55.803 0.065 0.000 0.820 250 Q CB 1.110 29.888 28.738 0.066 0.000 1.436 250 Q HN 0.402 nan 8.270 nan 0.000 0.395 251 V N 2.759 122.747 119.914 0.124 0.000 2.583 251 V HA 0.176 4.296 4.120 0.000 0.000 0.287 251 V C 0.861 177.031 176.094 0.127 0.000 1.051 251 V CA -0.069 62.313 62.300 0.137 0.000 1.010 251 V CB 1.201 33.157 31.823 0.222 0.000 0.988 251 V HN 0.889 nan 8.190 nan 0.000 0.478 252 K N 2.825 123.281 120.400 0.092 0.000 2.350 252 K HA 0.214 4.534 4.320 0.000 0.000 0.196 252 K C 0.439 177.085 176.600 0.077 0.000 1.084 252 K CA 0.438 56.769 56.287 0.073 0.000 0.967 252 K CB 0.734 33.264 32.500 0.049 0.000 0.950 252 K HN 0.923 nan 8.250 nan 0.000 0.512 253 E N -0.337 119.914 120.200 0.085 0.000 2.389 253 E HA 0.191 4.541 4.350 0.000 0.000 0.281 253 E C -1.817 174.832 176.600 0.080 0.000 1.072 253 E CA -0.879 55.571 56.400 0.083 0.000 0.845 253 E CB 1.694 31.427 29.700 0.055 0.000 1.239 253 E HN -0.142 nan 8.360 nan 0.000 0.434 254 V N 2.200 122.168 119.914 0.090 0.000 2.656 254 V HA 0.620 4.741 4.120 0.000 0.000 0.307 254 V C -0.666 175.458 176.094 0.050 0.000 1.051 254 V CA -0.610 61.732 62.300 0.070 0.000 0.893 254 V CB 1.576 33.463 31.823 0.106 0.000 0.999 254 V HN 0.788 nan 8.190 nan 0.000 0.426 255 K N 2.086 122.502 120.400 0.026 0.000 2.502 255 K HA 0.744 5.064 4.320 0.000 0.000 0.257 255 K C -1.164 175.440 176.600 0.007 0.000 0.938 255 K CA -1.126 55.172 56.287 0.019 0.000 0.819 255 K CB 2.328 34.839 32.500 0.018 0.000 1.333 255 K HN 0.306 nan 8.250 nan 0.000 0.434 256 K N 2.380 122.784 120.400 0.007 0.000 2.273 256 K HA 0.154 4.474 4.320 0.000 0.000 0.287 256 K C -0.642 175.957 176.600 -0.003 0.000 1.089 256 K CA -0.005 56.282 56.287 -0.000 0.000 0.909 256 K CB 0.365 32.867 32.500 0.003 0.000 1.123 256 K HN 0.793 nan 8.250 nan 0.000 0.473 257 T N 0.274 114.823 114.554 -0.007 0.000 2.893 257 T HA 0.291 4.641 4.350 0.000 0.000 0.279 257 T C 1.458 176.152 174.700 -0.010 0.000 0.991 257 T CA -0.819 61.276 62.100 -0.008 0.000 0.950 257 T CB 0.451 69.313 68.868 -0.010 0.000 1.223 257 T HN 0.432 nan 8.240 nan 0.000 0.585 258 L N 0.078 121.295 121.223 -0.010 0.000 2.191 258 L HA 0.031 4.371 4.340 0.000 0.000 0.212 258 L C 0.810 177.672 176.870 -0.014 0.000 1.103 258 L CA 0.964 55.797 54.840 -0.010 0.000 0.769 258 L CB -0.195 41.858 42.059 -0.009 0.000 0.908 258 L HN 0.679 nan 8.230 nan 0.000 0.438 259 S N -0.374 115.316 115.700 -0.016 0.000 2.317 259 S HA 0.578 5.048 4.470 0.000 0.000 0.144 259 S C 0.080 174.665 174.600 -0.026 0.000 1.660 259 S CA 0.035 58.222 58.200 -0.021 0.000 1.273 259 S CB 1.238 64.426 63.200 -0.020 0.000 1.330 259 S HN 0.579 nan 8.310 nan 0.000 0.395 260 G N 1.664 110.448 108.800 -0.027 0.000 2.384 260 G HA2 -0.067 3.893 3.960 0.000 0.000 0.200 260 G HA3 -0.067 3.893 3.960 0.000 0.000 0.200 260 G C -1.459 173.423 174.900 -0.029 0.000 1.205 260 G CA -0.915 44.165 45.100 -0.033 0.000 1.116 260 G HN 0.520 nan 8.290 nan 0.000 0.547 261 L N 0.260 121.462 121.223 -0.036 0.000 2.319 261 L HA 0.817 5.157 4.340 0.000 0.000 0.267 261 L C 0.022 176.874 176.870 -0.031 0.000 1.011 261 L CA -0.778 54.043 54.840 -0.032 0.000 0.818 261 L CB 2.148 44.182 42.059 -0.042 0.000 1.316 261 L HN 0.781 nan 8.230 nan 0.000 0.432 262 E N 0.917 121.104 120.200 -0.021 0.000 2.216 262 E HA 0.474 4.825 4.350 0.000 0.000 0.260 262 E C -1.750 174.841 176.600 -0.014 0.000 0.880 262 E CA -0.571 55.818 56.400 -0.018 0.000 0.765 262 E CB 1.996 31.690 29.700 -0.009 0.000 1.174 262 E HN 0.310 nan 8.360 nan 0.000 0.417 263 V N 3.430 123.330 119.914 -0.023 0.000 2.394 263 V HA 0.316 4.436 4.120 0.000 0.000 0.282 263 V C -0.049 176.042 176.094 -0.005 0.000 1.031 263 V CA -0.593 61.695 62.300 -0.020 0.000 0.881 263 V CB 1.591 33.382 31.823 -0.053 0.000 0.982 263 V HN 0.635 nan 8.190 nan 0.000 0.451 264 S N 6.682 122.390 115.700 0.013 0.000 2.429 264 S HA 0.754 5.224 4.470 0.000 0.000 0.302 264 S C -0.268 174.348 174.600 0.026 0.000 1.115 264 S CA -0.593 57.618 58.200 0.018 0.000 1.095 264 S CB 0.721 63.936 63.200 0.025 0.000 0.987 264 S HN 0.774 nan 8.310 nan 0.000 0.474 265 M N 2.250 121.862 119.600 0.020 0.000 2.572 265 M HA 0.770 5.250 4.480 0.000 0.000 0.299 265 M C -1.560 174.756 176.300 0.026 0.000 1.205 265 M CA -0.919 54.397 55.300 0.026 0.000 0.876 265 M CB 1.587 34.199 32.600 0.019 0.000 1.728 265 M HN 0.178 nan 8.290 nan 0.000 0.458 266 V N 1.756 121.690 119.914 0.033 0.000 2.394 266 V HA 0.503 4.623 4.120 0.000 0.000 0.282 266 V C -0.279 175.838 176.094 0.039 0.000 1.031 266 V CA -0.267 62.051 62.300 0.031 0.000 0.881 266 V CB 1.727 33.568 31.823 0.029 0.000 0.982 266 V HN 0.995 nan 8.190 nan 0.000 0.451 267 T N 4.520 119.097 114.554 0.038 0.000 2.770 267 T HA 0.618 4.968 4.350 0.000 0.000 0.283 267 T C 0.093 174.821 174.700 0.046 0.000 0.988 267 T CA -0.215 61.921 62.100 0.060 0.000 0.957 267 T CB 1.364 70.265 68.868 0.055 0.000 0.930 267 T HN 0.822 nan 8.240 nan 0.000 0.443 268 A N 3.870 126.728 122.820 0.064 0.000 3.105 268 A HA 0.585 4.905 4.320 0.000 0.000 0.336 268 A C 0.127 177.626 177.584 -0.141 0.000 1.042 268 A CA -0.524 51.505 52.037 -0.014 0.000 0.851 268 A CB 0.081 19.076 19.000 -0.008 0.000 1.068 268 A HN 0.672 nan 8.150 nan 0.000 0.477 269 V N 2.719 122.516 119.914 -0.195 0.000 2.655 269 V HA 0.165 4.285 4.120 0.000 0.000 0.300 269 V C -2.018 173.803 176.094 -0.455 0.000 1.044 269 V CA -0.758 61.251 62.300 -0.486 0.000 1.095 269 V CB 0.872 32.562 31.823 -0.220 0.000 0.952 269 V HN 0.616 nan 8.190 nan 0.000 0.485 270 P HA 0.356 nan 4.420 nan 0.000 0.281 270 P C 0.558 177.729 177.300 -0.215 0.000 1.252 270 P CA 0.584 63.477 63.100 -0.346 0.000 0.778 270 P CB 0.982 32.490 31.700 -0.319 0.000 0.895 271 G N 1.510 110.227 108.800 -0.137 0.000 2.140 271 G HA2 -0.194 3.766 3.960 0.000 0.000 0.211 271 G HA3 -0.194 3.766 3.960 0.000 0.000 0.211 271 G C 0.007 174.860 174.900 -0.079 0.000 1.013 271 G CA -0.333 44.713 45.100 -0.089 0.000 0.705 271 G HN 0.719 nan 8.290 nan 0.000 0.508 272 R N -1.407 119.042 120.500 -0.086 0.000 2.716 272 R HA 0.655 4.995 4.340 0.000 0.000 0.271 272 R C -0.308 175.957 176.300 -0.057 0.000 1.028 272 R CA -0.957 55.103 56.100 -0.066 0.000 0.883 272 R CB 0.832 31.084 30.300 -0.081 0.000 1.250 272 R HN 0.129 nan 8.270 nan 0.000 0.465 273 L N 3.469 124.669 121.223 -0.039 0.000 2.397 273 L HA 0.405 4.745 4.340 0.000 0.000 0.271 273 L C -1.729 175.124 176.870 -0.028 0.000 1.148 273 L CA -1.774 53.048 54.840 -0.030 0.000 0.825 273 L CB 0.618 42.665 42.059 -0.020 0.000 1.117 273 L HN 0.491 nan 8.230 nan 0.000 0.456 274 P HA 0.035 nan 4.420 nan 0.000 0.266 274 P C -0.838 176.459 177.300 -0.006 0.000 1.195 274 P CA 0.011 63.103 63.100 -0.014 0.000 0.768 274 P CB 1.121 32.816 31.700 -0.008 0.000 0.838 275 V N 4.148 124.063 119.914 0.002 0.000 2.709 275 V HA 0.492 4.612 4.120 0.000 0.000 0.308 275 V C -0.808 175.292 176.094 0.010 0.000 1.062 275 V CA -0.940 61.362 62.300 0.004 0.000 0.901 275 V CB 1.942 33.767 31.823 0.003 0.000 1.003 275 V HN 0.400 nan 8.190 nan 0.000 0.425 276 M N 4.722 124.327 119.600 0.009 0.000 2.300 276 M HA 0.554 5.034 4.480 0.000 0.000 0.348 276 M C -0.592 175.714 176.300 0.009 0.000 1.151 276 M CA -0.160 55.146 55.300 0.011 0.000 1.046 276 M CB 1.920 34.526 32.600 0.010 0.000 1.647 276 M HN 0.816 nan 8.290 nan 0.000 0.451 277 T N 3.210 117.770 114.554 0.009 0.000 2.900 277 T HA 0.569 4.919 4.350 0.000 0.000 0.295 277 T C -0.876 173.826 174.700 0.003 0.000 1.044 277 T CA -0.680 61.423 62.100 0.005 0.000 0.995 277 T CB 1.927 70.799 68.868 0.005 0.000 1.072 277 T HN 0.495 nan 8.240 nan 0.000 0.473 278 M N 2.492 122.092 119.600 -0.000 0.000 2.300 278 M HA 0.566 5.046 4.480 0.000 0.000 0.348 278 M C -1.030 175.265 176.300 -0.009 0.000 1.151 278 M CA -0.792 54.506 55.300 -0.003 0.000 1.046 278 M CB 0.725 33.323 32.600 -0.003 0.000 1.647 278 M HN 0.485 nan 8.290 nan 0.000 0.451 279 I N 6.423 126.985 120.570 -0.014 0.000 2.354 279 I HA 0.469 4.639 4.170 0.000 0.000 0.286 279 I C -2.327 173.775 176.117 -0.025 0.000 1.007 279 I CA -1.625 59.661 61.300 -0.022 0.000 1.167 279 I CB 1.447 39.428 38.000 -0.031 0.000 1.320 279 I HN 0.440 nan 8.210 nan 0.000 0.458 280 P HA 0.373 nan 4.420 nan 0.000 0.292 280 P C -1.060 176.223 177.300 -0.027 0.000 1.308 280 P CA -0.372 62.715 63.100 -0.022 0.000 0.933 280 P CB 1.346 33.035 31.700 -0.017 0.000 1.217 281 D N -1.507 118.877 120.400 -0.028 0.000 2.775 281 D HA -0.092 4.548 4.640 0.000 0.000 0.235 281 D C -0.493 175.783 176.300 -0.040 0.000 1.120 281 D CA 0.670 54.652 54.000 -0.031 0.000 0.708 281 D CB -1.896 38.888 40.800 -0.027 0.000 1.084 281 D HN 0.064 nan 8.370 nan 0.000 0.434 282 V N 1.060 120.946 119.914 -0.047 0.000 2.406 282 V HA 0.099 4.220 4.120 0.000 0.000 0.272 282 V C 1.447 177.501 176.094 -0.066 0.000 1.043 282 V CA -0.272 61.992 62.300 -0.060 0.000 0.915 282 V CB 1.741 33.521 31.823 -0.072 0.000 0.988 282 V HN 0.018 nan 8.190 nan 0.000 0.466 283 D N 1.982 122.338 120.400 -0.073 0.000 2.162 283 D HA 0.008 4.648 4.640 0.000 0.000 0.205 283 D C 0.617 176.862 176.300 -0.091 0.000 0.964 283 D CA 0.985 54.937 54.000 -0.081 0.000 0.847 283 D CB 0.458 41.203 40.800 -0.092 0.000 0.988 283 D HN 0.562 nan 8.370 nan 0.000 0.480 284 C N 1.613 120.854 119.300 -0.097 0.000 2.381 284 C HA 0.587 5.047 4.460 0.000 0.000 0.328 284 C C -1.087 173.824 174.990 -0.132 0.000 1.190 284 C CA -0.934 58.022 59.018 -0.104 0.000 1.369 284 C CB -0.264 27.416 27.740 -0.099 0.000 2.029 284 C HN 0.121 nan 8.230 nan 0.000 0.448 285 L N 7.052 128.173 121.223 -0.171 0.000 2.280 285 L HA 0.679 5.020 4.340 0.000 0.000 0.287 285 L C -0.899 175.761 176.870 -0.349 0.000 1.023 285 L CA -0.113 54.551 54.840 -0.294 0.000 0.819 285 L CB 1.106 42.949 42.059 -0.361 0.000 1.212 285 L HN 0.788 nan 8.230 nan 0.000 0.420 286 L N 5.534 126.553 121.223 -0.340 0.000 2.319 286 L HA 0.476 4.816 4.340 0.000 0.000 0.281 286 L C -1.275 175.443 176.870 -0.253 0.000 1.005 286 L CA -0.467 54.234 54.840 -0.232 0.000 0.828 286 L CB 0.921 42.921 42.059 -0.099 0.000 1.227 286 L HN 0.672 nan 8.230 nan 0.000 0.415 287 W N 4.925 126.211 121.300 -0.022 0.000 2.388 287 W HA 0.490 5.150 4.660 0.000 0.000 0.308 287 W C 0.432 176.926 176.519 -0.042 0.000 1.263 287 W CA -0.606 56.722 57.345 -0.028 0.000 1.286 287 W CB 1.163 30.610 29.460 -0.023 0.000 1.294 287 W HN 0.582 nan 8.180 nan 0.000 0.493 288 A N 5.173 128.088 122.820 0.158 0.000 3.129 288 A HA 0.265 4.585 4.320 0.000 0.000 0.282 288 A C 0.604 178.223 177.584 0.059 0.000 0.948 288 A CA -0.439 51.627 52.037 0.048 0.000 1.027 288 A CB -0.676 18.299 19.000 -0.041 0.000 1.123 288 A HN 0.797 nan 8.150 nan 0.000 0.485 289 I N -3.874 116.760 120.570 0.107 0.000 3.645 289 I HA 0.594 4.764 4.170 0.000 0.000 0.300 289 I C 0.740 176.888 176.117 0.051 0.000 1.260 289 I CA 0.388 61.740 61.300 0.087 0.000 1.365 289 I CB 0.500 38.564 38.000 0.107 0.000 1.077 289 I HN 0.395 nan 8.210 nan 0.000 0.439 290 G N 1.196 110.019 108.800 0.039 0.000 2.341 290 G HA2 0.334 4.294 3.960 0.000 0.000 0.293 290 G HA3 0.334 4.294 3.960 0.000 0.000 0.293 290 G C -1.678 173.245 174.900 0.040 0.000 1.298 290 G CA -1.046 44.079 45.100 0.043 0.000 0.868 290 G HN 0.102 nan 8.290 nan 0.000 0.540 291 R N -0.880 119.655 120.500 0.060 0.000 2.686 291 R HA 0.743 5.083 4.340 0.000 0.000 0.286 291 R C -1.030 175.303 176.300 0.055 0.000 0.969 291 R CA -0.764 55.372 56.100 0.059 0.000 0.898 291 R CB 2.194 32.543 30.300 0.082 0.000 1.183 291 R HN 0.904 nan 8.270 nan 0.000 0.456 292 V N 2.727 122.654 119.914 0.022 0.000 2.667 292 V HA 0.588 4.708 4.120 0.000 0.000 0.308 292 V C -2.357 173.722 176.094 -0.024 0.000 1.048 292 V CA -2.590 59.696 62.300 -0.023 0.000 0.928 292 V CB 2.293 34.093 31.823 -0.038 0.000 1.004 292 V HN 0.575 nan 8.190 nan 0.000 0.444 293 P HA 0.220 nan 4.420 nan 0.000 0.278 293 P C -1.020 176.274 177.300 -0.010 0.000 1.238 293 P CA -0.265 62.818 63.100 -0.029 0.000 0.794 293 P CB 0.429 32.086 31.700 -0.072 0.000 0.955 294 N N 1.686 120.402 118.700 0.027 0.000 2.868 294 N HA 0.112 4.852 4.740 0.000 0.000 0.252 294 N C 0.319 175.862 175.510 0.055 0.000 1.130 294 N CA 0.145 53.218 53.050 0.037 0.000 1.026 294 N CB -0.215 38.297 38.487 0.041 0.000 1.335 294 N HN 0.407 nan 8.380 nan 0.000 0.516 295 T N -1.999 112.585 114.554 0.050 0.000 3.041 295 T HA 0.140 4.490 4.350 0.000 0.000 0.276 295 T C 1.467 176.213 174.700 0.076 0.000 0.948 295 T CA -0.244 61.897 62.100 0.069 0.000 0.885 295 T CB 0.334 69.233 68.868 0.052 0.000 1.175 295 T HN 0.076 nan 8.240 nan 0.000 0.529 296 K N 1.935 122.372 120.400 0.061 0.000 2.032 296 K HA -0.108 4.212 4.320 0.000 0.000 0.209 296 K C 0.636 177.288 176.600 0.087 0.000 1.048 296 K CA 1.608 57.930 56.287 0.057 0.000 0.927 296 K CB -0.337 32.187 32.500 0.040 0.000 0.712 296 K HN 0.406 nan 8.250 nan 0.000 0.441 297 D N 0.577 121.054 120.400 0.128 0.000 2.395 297 D HA 0.046 4.686 4.640 0.000 0.000 0.226 297 D C 1.140 177.590 176.300 0.249 0.000 1.146 297 D CA 0.013 54.121 54.000 0.180 0.000 0.830 297 D CB 0.384 41.275 40.800 0.152 0.000 0.958 297 D HN 0.199 nan 8.370 nan 0.000 0.501 298 L N -0.263 121.070 121.223 0.183 0.000 2.529 298 L HA -0.002 4.338 4.340 0.000 0.000 0.223 298 L C 0.684 177.715 176.870 0.267 0.000 1.113 298 L CA 0.185 55.137 54.840 0.186 0.000 0.861 298 L CB 0.072 42.264 42.059 0.222 0.000 1.012 298 L HN -0.121 nan 8.230 nan 0.000 0.461 299 S N -0.220 115.598 115.700 0.197 0.000 3.635 299 S HA -0.176 4.294 4.470 0.000 0.000 0.328 299 S C 1.266 175.967 174.600 0.169 0.000 1.135 299 S CA 0.256 58.562 58.200 0.178 0.000 0.942 299 S CB -1.670 61.642 63.200 0.187 0.000 0.930 299 S HN 0.338 nan 8.310 nan 0.000 0.512 300 L N 1.622 122.921 121.223 0.127 0.000 2.043 300 L HA -0.230 4.110 4.340 0.000 0.000 0.212 300 L C 2.555 179.382 176.870 -0.073 0.000 1.075 300 L CA 2.117 56.946 54.840 -0.017 0.000 0.752 300 L CB -0.653 41.405 42.059 -0.002 0.000 0.891 300 L HN 0.729 nan 8.230 nan 0.000 0.432 301 N N 0.568 119.259 118.700 -0.015 0.000 2.348 301 N HA -0.241 4.499 4.740 0.000 0.000 0.185 301 N C 1.444 176.938 175.510 -0.027 0.000 1.019 301 N CA 1.131 54.167 53.050 -0.022 0.000 0.880 301 N CB -0.302 38.185 38.487 0.000 0.000 0.965 301 N HN 0.454 nan 8.380 nan 0.000 0.437 302 K N 0.274 120.668 120.400 -0.010 0.000 2.362 302 K HA 0.084 4.404 4.320 0.000 0.000 0.200 302 K C 1.579 178.151 176.600 -0.047 0.000 1.046 302 K CA 0.604 56.890 56.287 -0.002 0.000 0.952 302 K CB 0.122 32.650 32.500 0.048 0.000 0.753 302 K HN 0.257 nan 8.250 nan 0.000 0.466 303 L N -1.010 120.138 121.223 -0.124 0.000 2.731 303 L HA 0.194 4.534 4.340 0.000 0.000 0.240 303 L C 0.780 177.568 176.870 -0.136 0.000 1.120 303 L CA -0.018 54.722 54.840 -0.166 0.000 0.913 303 L CB 0.724 42.586 42.059 -0.329 0.000 1.213 303 L HN 0.302 nan 8.230 nan 0.000 0.515 304 G N 1.621 110.357 108.800 -0.108 0.000 2.198 304 G HA2 -0.281 3.679 3.960 0.000 0.000 0.257 304 G HA3 -0.281 3.679 3.960 0.000 0.000 0.257 304 G C 0.121 174.965 174.900 -0.093 0.000 1.042 304 G CA -0.158 44.895 45.100 -0.079 0.000 0.791 304 G HN 0.258 nan 8.290 nan 0.000 0.502 305 I N 0.560 121.052 120.570 -0.130 0.000 2.556 305 I HA 0.113 4.283 4.170 0.000 0.000 0.284 305 I C 1.223 177.303 176.117 -0.063 0.000 1.114 305 I CA 0.113 61.341 61.300 -0.121 0.000 1.418 305 I CB 0.713 38.603 38.000 -0.183 0.000 1.394 305 I HN 0.227 nan 8.210 nan 0.000 0.552 306 Q N 4.804 124.579 119.800 -0.042 0.000 2.332 306 Q HA 0.253 4.593 4.340 0.000 0.000 0.263 306 Q C -0.100 175.900 176.000 0.001 0.000 0.979 306 Q CA -0.050 55.743 55.803 -0.018 0.000 0.885 306 Q CB 1.076 29.807 28.738 -0.011 0.000 1.218 306 Q HN 0.746 nan 8.270 nan 0.000 0.405 307 T N -1.622 112.938 114.554 0.009 0.000 2.907 307 T HA 0.446 4.796 4.350 0.000 0.000 0.290 307 T C -0.519 174.200 174.700 0.031 0.000 1.066 307 T CA -1.120 60.998 62.100 0.029 0.000 1.012 307 T CB 1.452 70.334 68.868 0.023 0.000 1.184 307 T HN 0.558 nan 8.240 nan 0.000 0.522 308 D N -0.477 119.956 120.400 0.055 0.000 2.511 308 D HA 0.220 4.860 4.640 0.000 0.000 0.276 308 D C 0.684 177.001 176.300 0.029 0.000 1.220 308 D CA -0.565 53.467 54.000 0.054 0.000 1.077 308 D CB 0.081 40.941 40.800 0.100 0.000 1.126 308 D HN 0.600 nan 8.370 nan 0.000 0.583 309 D N -1.316 119.100 120.400 0.026 0.000 2.378 309 D HA -0.122 4.518 4.640 0.000 0.000 0.227 309 D C 0.751 177.042 176.300 -0.015 0.000 1.012 309 D CA 0.567 54.570 54.000 0.005 0.000 0.905 309 D CB -0.097 40.705 40.800 0.004 0.000 0.895 309 D HN 0.220 nan 8.370 nan 0.000 0.532 310 K N -0.359 120.023 120.400 -0.030 0.000 2.404 310 K HA 0.289 4.609 4.320 0.000 0.000 0.194 310 K C 1.491 177.961 176.600 -0.217 0.000 1.023 310 K CA 0.574 56.784 56.287 -0.129 0.000 1.094 310 K CB 0.600 32.989 32.500 -0.186 0.000 0.841 310 K HN 0.309 nan 8.250 nan 0.000 0.523 311 G N 1.629 110.346 108.800 -0.139 0.000 2.176 311 G HA2 -0.236 3.724 3.960 0.000 0.000 0.232 311 G HA3 -0.236 3.724 3.960 0.000 0.000 0.232 311 G C -0.371 174.464 174.900 -0.109 0.000 0.986 311 G CA -0.171 44.864 45.100 -0.110 0.000 0.643 311 G HN 0.506 nan 8.290 nan 0.000 0.522 312 H N -0.122 118.960 119.070 0.019 0.000 2.815 312 H HA 0.503 5.059 4.556 0.000 0.000 0.350 312 H C 1.066 176.405 175.328 0.018 0.000 1.080 312 H CA 0.169 56.229 56.048 0.020 0.000 1.433 312 H CB 0.821 30.590 29.762 0.012 0.000 1.432 312 H HN 0.285 nan 8.280 nan 0.000 0.592 313 I N 3.786 124.456 120.570 0.166 0.000 2.474 313 I HA 0.025 4.195 4.170 0.000 0.000 0.287 313 I C -0.034 176.129 176.117 0.077 0.000 1.048 313 I CA -0.272 61.086 61.300 0.097 0.000 1.383 313 I CB 0.634 38.687 38.000 0.088 0.000 1.412 313 I HN 0.362 nan 8.210 nan 0.000 0.531 314 I N 7.097 127.695 120.570 0.046 0.000 2.396 314 I HA 0.373 4.544 4.170 0.000 0.000 0.292 314 I C 0.254 176.384 176.117 0.021 0.000 0.999 314 I CA -0.253 61.061 61.300 0.023 0.000 1.310 314 I CB 1.086 39.094 38.000 0.013 0.000 1.404 314 I HN 0.300 nan 8.210 nan 0.000 0.496 315 V N 2.294 122.214 119.914 0.010 0.000 3.167 315 V HA 0.738 4.858 4.120 0.000 0.000 0.310 315 V C -0.745 175.357 176.094 0.013 0.000 1.207 315 V CA -0.906 61.414 62.300 0.033 0.000 1.059 315 V CB 2.122 33.981 31.823 0.060 0.000 1.079 315 V HN 0.735 nan 8.190 nan 0.000 0.446 316 D N -0.313 120.116 120.400 0.048 0.000 2.567 316 D HA 0.257 4.897 4.640 0.000 0.000 0.275 316 D C 0.972 177.261 176.300 -0.019 0.000 1.195 316 D CA 0.110 54.128 54.000 0.029 0.000 1.087 316 D CB 0.462 41.322 40.800 0.100 0.000 1.165 316 D HN 0.812 nan 8.370 nan 0.000 0.609 317 E N -0.609 119.514 120.200 -0.129 0.000 2.409 317 E HA -0.131 4.219 4.350 0.000 0.000 0.198 317 E C 0.696 177.073 176.600 -0.373 0.000 1.024 317 E CA 0.756 56.973 56.400 -0.306 0.000 0.861 317 E CB -0.512 28.915 29.700 -0.455 0.000 0.788 317 E HN 0.478 nan 8.360 nan 0.000 0.521 318 F N 0.831 120.833 119.950 0.087 0.000 2.653 318 F HA 0.203 4.730 4.527 0.000 0.000 0.304 318 F C 0.388 176.265 175.800 0.128 0.000 1.092 318 F CA -0.412 57.644 58.000 0.094 0.000 1.279 318 F CB 0.667 39.715 39.000 0.082 0.000 1.044 318 F HN -0.194 nan 8.300 nan 0.000 0.564 319 Q N -0.993 118.955 119.800 0.246 0.000 2.429 319 Q HA -0.192 4.148 4.340 0.000 0.000 0.232 319 Q C -0.847 175.347 176.000 0.324 0.000 0.724 319 Q CA 0.420 56.372 55.803 0.248 0.000 1.287 319 Q CB -2.453 26.429 28.738 0.240 0.000 1.429 319 Q HN 0.418 nan 8.270 nan 0.000 0.721 320 N N 1.751 120.640 118.700 0.316 0.000 2.525 320 N HA 0.231 4.971 4.740 0.000 0.000 0.271 320 N C 0.852 176.423 175.510 0.101 0.000 1.194 320 N CA 0.808 54.000 53.050 0.238 0.000 0.964 320 N CB 0.984 39.589 38.487 0.197 0.000 1.126 320 N HN 0.374 nan 8.380 nan 0.000 0.452 321 T N -1.527 113.030 114.554 0.005 0.000 2.867 321 T HA 0.137 4.487 4.350 0.000 0.000 0.286 321 T C 1.267 175.946 174.700 -0.035 0.000 1.022 321 T CA -0.644 61.445 62.100 -0.019 0.000 0.933 321 T CB 0.417 69.251 68.868 -0.055 0.000 1.280 321 T HN 0.540 nan 8.240 nan 0.000 0.566 322 N N -0.540 118.134 118.700 -0.043 0.000 2.463 322 N HA 0.015 4.755 4.740 0.000 0.000 0.181 322 N C 0.062 175.538 175.510 -0.057 0.000 1.078 322 N CA 0.020 53.048 53.050 -0.037 0.000 0.902 322 N CB -0.348 38.121 38.487 -0.030 0.000 0.970 322 N HN 0.385 nan 8.380 nan 0.000 0.451 323 V N 1.574 121.433 119.914 -0.092 0.000 2.407 323 V HA 0.174 4.294 4.120 0.000 0.000 0.278 323 V C 0.433 176.445 176.094 -0.138 0.000 1.037 323 V CA -1.005 61.229 62.300 -0.110 0.000 0.900 323 V CB 1.281 33.018 31.823 -0.143 0.000 0.983 323 V HN 0.051 nan 8.190 nan 0.000 0.459 324 K N 3.240 123.578 120.400 -0.103 0.000 2.472 324 K HA 0.303 4.623 4.320 0.000 0.000 0.280 324 K C 1.205 177.719 176.600 -0.144 0.000 1.028 324 K CA 1.046 57.271 56.287 -0.102 0.000 1.045 324 K CB 0.183 32.656 32.500 -0.046 0.000 0.902 324 K HN 1.160 nan 8.250 nan 0.000 0.478 325 G N 2.983 111.654 108.800 -0.215 0.000 2.160 325 G HA2 -0.255 3.706 3.960 0.000 0.000 0.251 325 G HA3 -0.255 3.706 3.960 0.000 0.000 0.251 325 G C -0.026 174.657 174.900 -0.362 0.000 1.008 325 G CA -0.194 44.792 45.100 -0.190 0.000 0.724 325 G HN 0.565 nan 8.290 nan 0.000 0.514 326 I N -0.087 120.081 120.570 -0.671 0.000 2.439 326 I HA 0.532 4.703 4.170 0.000 0.000 0.285 326 I C -0.265 175.502 176.117 -0.582 0.000 1.021 326 I CA -1.025 60.034 61.300 -0.401 0.000 1.091 326 I CB 1.336 39.237 38.000 -0.165 0.000 1.242 326 I HN 0.043 nan 8.210 nan 0.000 0.439 327 Y N 4.110 124.506 120.300 0.160 0.000 2.662 327 Y HA 0.871 5.421 4.550 0.000 0.000 0.335 327 Y C 0.089 176.069 175.900 0.133 0.000 1.066 327 Y CA -1.224 56.963 58.100 0.145 0.000 1.116 327 Y CB 1.816 40.380 38.460 0.173 0.000 1.308 327 Y HN 0.558 nan 8.280 nan 0.000 0.502 328 A N 0.677 123.672 122.820 0.291 0.000 2.517 328 A HA 0.788 5.109 4.320 0.000 0.000 0.297 328 A C -1.550 176.141 177.584 0.177 0.000 1.050 328 A CA -0.558 51.596 52.037 0.194 0.000 0.694 328 A CB 1.091 20.177 19.000 0.143 0.000 1.277 328 A HN 1.166 nan 8.150 nan 0.000 0.400 329 V N -0.348 119.654 119.914 0.147 0.000 3.078 329 V HA 1.013 5.133 4.120 0.000 0.000 0.311 329 V C 0.523 176.683 176.094 0.110 0.000 1.138 329 V CA 0.246 62.627 62.300 0.135 0.000 1.007 329 V CB 0.932 32.833 31.823 0.129 0.000 1.045 329 V HN 2.966 nan 8.190 nan 0.000 0.432 330 G N 2.206 111.075 108.800 0.115 0.000 2.593 330 G HA2 -0.217 3.743 3.960 0.000 0.000 0.237 330 G HA3 -0.217 3.743 3.960 0.000 0.000 0.237 330 G C 0.103 175.059 174.900 0.094 0.000 1.312 330 G CA 0.710 45.868 45.100 0.096 0.000 0.896 330 G HN 1.087 nan 8.290 nan 0.000 0.574 331 D N -0.685 119.768 120.400 0.088 0.000 2.190 331 D HA -0.072 4.568 4.640 0.000 0.000 0.200 331 D C 2.459 178.840 176.300 0.134 0.000 0.992 331 D CA 1.469 55.529 54.000 0.101 0.000 0.854 331 D CB -0.250 40.608 40.800 0.095 0.000 0.936 331 D HN 0.523 nan 8.370 nan 0.000 0.462 332 V N -0.349 119.640 119.914 0.127 0.000 2.720 332 V HA -0.219 3.901 4.120 0.000 0.000 0.256 332 V C 1.893 178.117 176.094 0.216 0.000 1.082 332 V CA 1.309 63.706 62.300 0.162 0.000 1.101 332 V CB -0.154 31.739 31.823 0.116 0.000 0.693 332 V HN 0.334 nan 8.190 nan 0.000 0.479 333 C N 0.219 119.595 119.300 0.126 0.000 2.594 333 C HA 0.409 4.869 4.460 0.000 0.000 0.265 333 C C 2.046 176.953 174.990 -0.137 0.000 1.351 333 C CA 0.248 59.291 59.018 0.042 0.000 1.744 333 C CB -0.859 26.892 27.740 0.018 0.000 1.890 333 C HN 0.841 nan 8.230 nan 0.000 0.551 334 G N 1.623 110.340 108.800 -0.139 0.000 2.155 334 G HA2 -0.280 3.680 3.960 0.000 0.000 0.257 334 G HA3 -0.280 3.680 3.960 0.000 0.000 0.257 334 G C -0.024 174.695 174.900 -0.302 0.000 0.983 334 G CA 0.823 45.642 45.100 -0.469 0.000 0.676 334 G HN 0.725 nan 8.290 nan 0.000 0.528 335 K N -1.076 119.227 120.400 -0.162 0.000 2.292 335 K HA 0.760 5.080 4.320 0.000 0.000 0.257 335 K C 0.484 177.098 176.600 0.023 0.000 0.940 335 K CA 0.016 56.234 56.287 -0.114 0.000 0.811 335 K CB 1.905 34.274 32.500 -0.218 0.000 1.120 335 K HN 1.723 nan 8.250 nan 0.000 0.428 336 A N 3.860 126.709 122.820 0.048 0.000 2.183 336 A HA -0.121 4.199 4.320 0.000 0.000 0.278 336 A C -0.186 177.450 177.584 0.087 0.000 1.404 336 A CA 0.379 52.472 52.037 0.093 0.000 0.737 336 A CB -2.038 17.079 19.000 0.195 0.000 1.172 336 A HN 0.757 nan 8.150 nan 0.000 0.338 337 L N 1.309 122.579 121.223 0.079 0.000 2.400 337 L HA 0.377 4.717 4.340 0.000 0.000 0.262 337 L C 0.262 177.189 176.870 0.096 0.000 1.309 337 L CA 0.330 55.231 54.840 0.101 0.000 1.186 337 L CB -0.696 41.442 42.059 0.131 0.000 1.375 337 L HN 0.568 nan 8.230 nan 0.000 0.433 338 L N 0.033 121.294 121.223 0.063 0.000 2.424 338 L HA 0.352 4.692 4.340 0.000 0.000 0.258 338 L C 1.061 177.950 176.870 0.033 0.000 0.995 338 L CA -0.444 54.417 54.840 0.035 0.000 0.821 338 L CB 2.319 44.374 42.059 -0.006 0.000 1.383 338 L HN 0.031 nan 8.230 nan 0.000 0.410 339 T N 0.616 115.185 114.554 0.026 0.000 2.737 339 T HA -0.024 4.326 4.350 0.000 0.000 0.265 339 T C -1.210 173.493 174.700 0.004 0.000 1.038 339 T CA 1.545 63.653 62.100 0.015 0.000 1.144 339 T CB -0.396 68.478 68.868 0.011 0.000 0.866 339 T HN 0.435 nan 8.240 nan 0.000 0.434 340 P HA 0.040 nan 4.420 nan 0.000 0.222 340 P C 1.386 178.667 177.300 -0.032 0.000 1.147 340 P CA 0.502 63.595 63.100 -0.012 0.000 0.790 340 P CB -0.115 31.575 31.700 -0.015 0.000 0.780 341 V N 0.014 119.908 119.914 -0.034 0.000 2.407 341 V HA -0.147 3.973 4.120 0.000 0.000 0.245 341 V C 2.478 178.558 176.094 -0.024 0.000 1.041 341 V CA 1.949 64.210 62.300 -0.064 0.000 1.040 341 V CB -1.650 30.156 31.823 -0.028 0.000 0.671 341 V HN 0.082 nan 8.190 nan 0.000 0.455 342 A N 0.381 123.211 122.820 0.017 0.000 1.858 342 A HA -0.193 4.127 4.320 0.000 0.000 0.216 342 A C 2.191 179.787 177.584 0.021 0.000 1.190 342 A CA 2.048 54.106 52.037 0.034 0.000 0.617 342 A CB -0.595 18.427 19.000 0.035 0.000 0.827 342 A HN 0.471 nan 8.150 nan 0.000 0.443 343 I N -0.175 120.399 120.570 0.007 0.000 2.091 343 I HA -0.349 3.821 4.170 0.000 0.000 0.239 343 I C 3.016 179.138 176.117 0.007 0.000 1.061 343 I CA 1.413 62.719 61.300 0.010 0.000 1.317 343 I CB -0.435 37.570 38.000 0.008 0.000 1.031 343 I HN 0.368 nan 8.210 nan 0.000 0.401 344 A N 0.509 123.317 122.820 -0.020 0.000 1.908 344 A HA -0.183 4.137 4.320 0.000 0.000 0.218 344 A C 2.503 180.071 177.584 -0.028 0.000 1.181 344 A CA 2.005 54.020 52.037 -0.037 0.000 0.627 344 A CB -0.916 18.035 19.000 -0.082 0.000 0.818 344 A HN 0.478 nan 8.150 nan 0.000 0.445 345 A N -0.654 122.147 122.820 -0.032 0.000 1.930 345 A HA 0.164 4.484 4.320 0.000 0.000 0.217 345 A C 2.371 179.990 177.584 0.057 0.000 1.175 345 A CA 1.817 53.864 52.037 0.018 0.000 0.627 345 A CB -1.236 17.808 19.000 0.074 0.000 0.815 345 A HN 0.711 nan 8.150 nan 0.000 0.443 346 G N -0.746 108.089 108.800 0.058 0.000 2.421 346 G HA2 -0.154 3.806 3.960 0.000 0.000 0.217 346 G HA3 -0.154 3.806 3.960 0.000 0.000 0.217 346 G C 1.771 176.714 174.900 0.072 0.000 1.143 346 G CA 0.728 45.875 45.100 0.078 0.000 0.784 346 G HN 0.543 nan 8.290 nan 0.000 0.541 347 R N 0.207 120.746 120.500 0.064 0.000 2.066 347 R HA 0.026 4.366 4.340 0.000 0.000 0.232 347 R C 2.548 178.933 176.300 0.141 0.000 1.131 347 R CA 1.037 57.189 56.100 0.088 0.000 0.955 347 R CB -0.167 30.194 30.300 0.101 0.000 0.851 347 R HN 0.101 nan 8.270 nan 0.000 0.432 348 K N 0.796 121.264 120.400 0.113 0.000 2.152 348 K HA -0.149 4.171 4.320 0.000 0.000 0.206 348 K C 2.028 178.674 176.600 0.076 0.000 1.048 348 K CA 0.855 57.211 56.287 0.114 0.000 0.933 348 K CB -0.296 32.239 32.500 0.059 0.000 0.721 348 K HN 0.115 nan 8.250 nan 0.000 0.447 349 L N 0.822 122.060 121.223 0.025 0.000 2.109 349 L HA 0.017 4.357 4.340 0.000 0.000 0.207 349 L C 2.168 178.921 176.870 -0.196 0.000 1.086 349 L CA 1.596 56.391 54.840 -0.075 0.000 0.760 349 L CB -0.690 41.338 42.059 -0.051 0.000 0.910 349 L HN 0.091 nan 8.230 nan 0.000 0.437 350 A N -1.256 121.489 122.820 -0.124 0.000 1.902 350 A HA -0.239 4.081 4.320 0.000 0.000 0.217 350 A C 2.227 179.656 177.584 -0.258 0.000 1.181 350 A CA 1.707 53.636 52.037 -0.179 0.000 0.623 350 A CB -0.988 17.939 19.000 -0.122 0.000 0.818 350 A HN 0.650 nan 8.150 nan 0.000 0.443 351 H N -0.825 118.179 119.070 -0.110 0.000 2.353 351 H HA -0.124 4.432 4.556 0.000 0.000 0.300 351 H C 2.311 177.509 175.328 -0.215 0.000 1.090 351 H CA 1.856 57.832 56.048 -0.121 0.000 1.327 351 H CB -0.165 29.557 29.762 -0.067 0.000 1.383 351 H HN 0.567 nan 8.280 nan 0.000 0.508 352 R N 0.801 121.230 120.500 -0.118 0.000 2.073 352 R HA -0.093 4.247 4.340 0.000 0.000 0.234 352 R C 2.438 178.458 176.300 -0.466 0.000 1.134 352 R CA 1.099 57.070 56.100 -0.216 0.000 0.952 352 R CB -0.133 30.080 30.300 -0.145 0.000 0.850 352 R HN 0.208 nan 8.270 nan 0.000 0.433 353 L N -0.742 120.039 121.223 -0.737 0.000 2.072 353 L HA -0.052 4.288 4.340 0.000 0.000 0.205 353 L C 1.613 177.552 176.870 -1.552 0.000 1.079 353 L CA 1.049 55.132 54.840 -1.261 0.000 0.752 353 L CB -0.200 40.701 42.059 -1.929 0.000 0.906 353 L HN 0.182 nan 8.230 nan 0.000 0.436 354 F N -1.152 118.384 119.950 -0.689 0.000 2.704 354 F HA 0.119 4.646 4.527 0.000 0.000 0.304 354 F C 1.907 177.332 175.800 -0.625 0.000 1.094 354 F CA -0.015 57.592 58.000 -0.655 0.000 1.275 354 F CB 0.089 38.820 39.000 -0.448 0.000 1.073 354 F HN 0.024 nan 8.300 nan 0.000 0.586 355 E N -1.128 118.792 120.200 -0.467 0.000 2.630 355 E HA 0.050 4.400 4.350 0.000 0.000 0.218 355 E C -0.185 176.333 176.600 -0.136 0.000 0.977 355 E CA -0.035 56.249 56.400 -0.194 0.000 1.038 355 E CB 0.125 29.851 29.700 0.042 0.000 1.051 355 E HN 0.280 nan 8.360 nan 0.000 0.487 356 Y N -0.381 119.884 120.300 -0.059 0.000 4.324 356 Y HA -0.295 4.255 4.550 0.000 0.000 0.224 356 Y C -0.336 175.534 175.900 -0.049 0.000 1.113 356 Y CA 0.825 58.885 58.100 -0.067 0.000 1.887 356 Y CB -2.086 36.351 38.460 -0.039 0.000 1.602 356 Y HN 0.067 nan 8.280 nan 0.000 0.654 357 K N 2.052 122.450 120.400 -0.004 0.000 2.171 357 K HA 0.099 4.419 4.320 0.000 0.000 0.274 357 K C 1.031 177.619 176.600 -0.021 0.000 1.110 357 K CA 0.473 56.767 56.287 0.010 0.000 0.952 357 K CB 0.289 32.800 32.500 0.018 0.000 1.309 357 K HN 0.642 nan 8.250 nan 0.000 0.414 358 E N 1.507 121.690 120.200 -0.027 0.000 2.338 358 E HA -0.197 4.153 4.350 0.000 0.000 0.197 358 E C 0.673 177.231 176.600 -0.070 0.000 1.007 358 E CA 1.338 57.678 56.400 -0.100 0.000 0.849 358 E CB 0.096 29.733 29.700 -0.104 0.000 0.774 358 E HN 0.490 nan 8.360 nan 0.000 0.506 359 D N 0.747 121.175 120.400 0.048 0.000 2.349 359 D HA -0.042 4.599 4.640 0.000 0.000 0.214 359 D C 0.286 176.716 176.300 0.215 0.000 1.063 359 D CA -0.095 54.007 54.000 0.170 0.000 0.847 359 D CB 0.018 40.881 40.800 0.106 0.000 0.933 359 D HN 0.054 nan 8.370 nan 0.000 0.513 360 S N 0.651 116.437 115.700 0.143 0.000 2.457 360 S HA 0.253 4.723 4.470 0.000 0.000 0.294 360 S C -0.154 174.571 174.600 0.209 0.000 1.201 360 S CA -0.417 57.856 58.200 0.122 0.000 1.112 360 S CB -0.366 62.873 63.200 0.066 0.000 1.018 360 S HN 0.422 nan 8.310 nan 0.000 0.511 361 K N 3.028 123.514 120.400 0.143 0.000 2.579 361 K HA 0.526 4.846 4.320 0.000 0.000 0.284 361 K C -1.627 174.979 176.600 0.010 0.000 0.990 361 K CA -1.194 55.151 56.287 0.097 0.000 0.880 361 K CB 0.519 33.024 32.500 0.009 0.000 1.488 361 K HN 0.358 nan 8.250 nan 0.000 0.425 362 L N 1.695 122.908 121.223 -0.017 0.000 2.305 362 L HA 0.325 4.665 4.340 0.000 0.000 0.281 362 L C -0.785 176.019 176.870 -0.111 0.000 1.085 362 L CA 0.347 55.107 54.840 -0.133 0.000 0.813 362 L CB 0.979 42.845 42.059 -0.320 0.000 1.157 362 L HN 0.728 nan 8.230 nan 0.000 0.436 363 D N 3.120 123.445 120.400 -0.126 0.000 2.316 363 D HA 0.067 4.707 4.640 0.000 0.000 0.245 363 D C 0.044 176.281 176.300 -0.106 0.000 1.171 363 D CA 0.182 54.152 54.000 -0.051 0.000 0.856 363 D CB 0.504 41.281 40.800 -0.038 0.000 1.090 363 D HN 0.491 nan 8.370 nan 0.000 0.476 364 Y N 2.047 122.319 120.300 -0.046 0.000 2.502 364 Y HA 0.125 4.675 4.550 0.000 0.000 0.295 364 Y C 0.450 176.327 175.900 -0.037 0.000 1.193 364 Y CA -0.107 57.968 58.100 -0.042 0.000 1.295 364 Y CB -0.399 38.032 38.460 -0.048 0.000 1.059 364 Y HN 0.295 nan 8.280 nan 0.000 0.514 365 N N -0.030 118.714 118.700 0.073 0.000 2.489 365 N HA 0.165 4.905 4.740 0.000 0.000 0.284 365 N C -0.370 175.147 175.510 0.010 0.000 1.158 365 N CA -0.540 52.535 53.050 0.041 0.000 0.965 365 N CB 0.333 38.841 38.487 0.034 0.000 1.195 365 N HN 0.112 nan 8.380 nan 0.000 0.506 366 N N -0.594 118.111 118.700 0.009 0.000 2.735 366 N HA -0.195 4.545 4.740 0.000 0.000 0.248 366 N C -1.131 174.368 175.510 -0.019 0.000 1.083 366 N CA 0.054 53.104 53.050 -0.001 0.000 0.703 366 N CB -1.213 37.279 38.487 0.009 0.000 1.005 366 N HN 0.458 nan 8.380 nan 0.000 0.550 367 I N 1.499 122.052 120.570 -0.028 0.000 2.471 367 I HA 0.202 4.372 4.170 0.000 0.000 0.286 367 I C -1.589 174.501 176.117 -0.046 0.000 1.079 367 I CA -1.434 59.839 61.300 -0.045 0.000 1.398 367 I CB 0.517 38.490 38.000 -0.046 0.000 1.403 367 I HN -0.052 nan 8.210 nan 0.000 0.530 368 P HA 0.359 nan 4.420 nan 0.000 0.287 368 P C -1.121 176.141 177.300 -0.064 0.000 1.270 368 P CA -0.468 62.605 63.100 -0.044 0.000 0.844 368 P CB 1.456 33.143 31.700 -0.022 0.000 1.068 369 T N 0.454 114.963 114.554 -0.076 0.000 2.876 369 T HA 0.456 4.806 4.350 0.000 0.000 0.289 369 T C -0.463 174.170 174.700 -0.110 0.000 1.014 369 T CA -0.525 61.514 62.100 -0.101 0.000 0.986 369 T CB 1.444 70.249 68.868 -0.107 0.000 1.021 369 T HN 0.110 nan 8.240 nan 0.000 0.458 370 V N 2.743 122.536 119.914 -0.202 0.000 2.495 370 V HA 0.532 4.652 4.120 0.000 0.000 0.298 370 V C -0.460 175.357 176.094 -0.462 0.000 1.031 370 V CA -0.708 61.365 62.300 -0.379 0.000 0.871 370 V CB 2.005 33.488 31.823 -0.567 0.000 0.988 370 V HN 0.758 nan 8.190 nan 0.000 0.432 371 V N 5.138 124.797 119.914 -0.424 0.000 2.398 371 V HA 0.406 4.526 4.120 0.000 0.000 0.286 371 V C -0.316 175.479 176.094 -0.499 0.000 1.026 371 V CA -0.408 61.710 62.300 -0.303 0.000 0.868 371 V CB 1.456 33.192 31.823 -0.144 0.000 0.982 371 V HN 0.736 nan 8.190 nan 0.000 0.443 372 F N 3.872 123.656 119.950 -0.276 0.000 2.666 372 F HA 0.231 4.758 4.527 0.000 0.000 0.362 372 F C 1.387 176.994 175.800 -0.322 0.000 1.190 372 F CA -0.124 57.495 58.000 -0.634 0.000 1.328 372 F CB -0.160 38.242 39.000 -0.997 0.000 1.682 372 F HN 0.596 nan 8.300 nan 0.000 0.623 373 S N -0.924 114.737 115.700 -0.065 0.000 2.647 373 S HA 0.442 4.912 4.470 0.000 0.000 0.284 373 S C -0.374 174.246 174.600 0.033 0.000 1.134 373 S CA -0.802 57.428 58.200 0.049 0.000 1.027 373 S CB 0.872 64.092 63.200 0.034 0.000 1.180 373 S HN 0.350 nan 8.310 nan 0.000 0.521 374 H N 1.442 120.649 119.070 0.229 0.000 2.792 374 H HA 0.446 5.002 4.556 0.000 0.000 0.298 374 H C -2.627 172.751 175.328 0.083 0.000 1.042 374 H CA -1.514 54.628 56.048 0.156 0.000 1.300 374 H CB 0.764 30.558 29.762 0.054 0.000 1.431 374 H HN 0.449 nan 8.280 nan 0.000 0.496 375 P HA 0.138 nan 4.420 nan 0.000 0.274 375 P C -2.532 174.833 177.300 0.109 0.000 1.246 375 P CA -1.635 61.555 63.100 0.150 0.000 0.795 375 P CB 0.340 32.109 31.700 0.115 0.000 1.006 376 P HA 0.226 nan 4.420 nan 0.000 0.272 376 P C -0.388 176.852 177.300 -0.100 0.000 1.240 376 P CA 0.255 63.315 63.100 -0.066 0.000 0.791 376 P CB 0.552 32.147 31.700 -0.174 0.000 0.978 377 I N 0.059 120.518 120.570 -0.184 0.000 2.474 377 I HA 0.572 4.742 4.170 0.000 0.000 0.294 377 I C 0.595 176.649 176.117 -0.105 0.000 1.005 377 I CA -0.378 60.864 61.300 -0.097 0.000 1.113 377 I CB 2.110 40.069 38.000 -0.068 0.000 1.289 377 I HN 0.335 nan 8.210 nan 0.000 0.436 378 G N 2.492 111.283 108.800 -0.015 0.000 2.590 378 G HA2 0.621 4.581 3.960 0.000 0.000 0.310 378 G HA3 0.621 4.581 3.960 0.000 0.000 0.310 378 G C -1.248 173.688 174.900 0.060 0.000 1.347 378 G CA -0.379 44.714 45.100 -0.010 0.000 0.963 378 G HN 0.456 nan 8.290 nan 0.000 0.494 379 T N -0.164 114.419 114.554 0.048 0.000 2.933 379 T HA 0.635 4.985 4.350 0.000 0.000 0.305 379 T C -1.597 173.090 174.700 -0.021 0.000 1.092 379 T CA -0.506 61.630 62.100 0.060 0.000 1.008 379 T CB 1.863 70.815 68.868 0.139 0.000 1.102 379 T HN 1.123 nan 8.240 nan 0.000 0.469 380 V N 4.488 124.359 119.914 -0.072 0.000 2.851 380 V HA 0.838 4.958 4.120 0.000 0.000 0.307 380 V C 0.401 176.450 176.094 -0.076 0.000 1.129 380 V CA 1.108 63.373 62.300 -0.059 0.000 0.932 380 V CB 1.013 32.823 31.823 -0.022 0.000 1.024 380 V HN 1.758 nan 8.190 nan 0.000 0.426 381 G N 5.032 113.814 108.800 -0.030 0.000 2.542 381 G HA2 -0.149 3.811 3.960 0.000 0.000 0.235 381 G HA3 -0.149 3.811 3.960 0.000 0.000 0.235 381 G C -0.646 174.284 174.900 0.050 0.000 1.286 381 G CA -0.164 44.934 45.100 -0.002 0.000 0.904 381 G HN 1.222 nan 8.290 nan 0.000 0.577 382 L N 1.632 122.903 121.223 0.080 0.000 2.371 382 L HA 0.507 4.847 4.340 0.000 0.000 0.272 382 L C 1.734 178.750 176.870 0.243 0.000 1.124 382 L CA -0.125 54.790 54.840 0.125 0.000 0.816 382 L CB 1.108 43.250 42.059 0.138 0.000 1.129 382 L HN 1.034 nan 8.230 nan 0.000 0.448 383 T N -2.323 112.309 114.554 0.130 0.000 2.788 383 T HA 0.040 4.390 4.350 0.000 0.000 0.287 383 T C 0.954 175.700 174.700 0.076 0.000 1.007 383 T CA -0.493 61.617 62.100 0.016 0.000 1.005 383 T CB 1.220 70.002 68.868 -0.144 0.000 1.012 383 T HN 0.767 nan 8.240 nan 0.000 0.530 384 E N 0.240 120.458 120.200 0.029 0.000 2.118 384 E HA -0.236 4.114 4.350 0.000 0.000 0.195 384 E C 1.355 177.981 176.600 0.043 0.000 0.992 384 E CA 1.648 58.075 56.400 0.045 0.000 0.804 384 E CB -0.118 29.593 29.700 0.018 0.000 0.741 384 E HN 0.680 nan 8.360 nan 0.000 0.458 385 D N 0.388 120.800 120.400 0.021 0.000 2.097 385 D HA -0.151 4.489 4.640 0.000 0.000 0.197 385 D C 1.793 178.129 176.300 0.060 0.000 0.984 385 D CA 1.138 55.156 54.000 0.029 0.000 0.826 385 D CB -0.167 40.634 40.800 0.001 0.000 0.973 385 D HN 0.340 nan 8.370 nan 0.000 0.460 386 E N 0.640 120.870 120.200 0.049 0.000 2.110 386 E HA -0.103 4.247 4.350 0.000 0.000 0.193 386 E C 2.027 178.712 176.600 0.141 0.000 0.988 386 E CA 0.969 57.411 56.400 0.070 0.000 0.804 386 E CB 0.005 29.727 29.700 0.036 0.000 0.745 386 E HN 0.181 nan 8.360 nan 0.000 0.458 387 A N 0.794 123.714 122.820 0.166 0.000 1.968 387 A HA -0.086 4.234 4.320 0.000 0.000 0.217 387 A C 2.123 179.870 177.584 0.272 0.000 1.169 387 A CA 0.635 52.846 52.037 0.289 0.000 0.638 387 A CB -0.363 18.767 19.000 0.216 0.000 0.812 387 A HN 0.130 nan 8.150 nan 0.000 0.446 388 I N -0.908 119.759 120.570 0.161 0.000 2.208 388 I HA -0.278 3.892 4.170 0.000 0.000 0.245 388 I C 2.579 178.768 176.117 0.120 0.000 1.097 388 I CA 1.683 63.058 61.300 0.124 0.000 1.363 388 I CB -0.357 37.691 38.000 0.081 0.000 1.051 388 I HN 0.551 nan 8.210 nan 0.000 0.413 389 H N 1.375 120.461 119.070 0.027 0.000 2.457 389 H HA -0.178 4.379 4.556 0.000 0.000 0.294 389 H C 2.074 177.370 175.328 -0.053 0.000 1.064 389 H CA 1.713 57.755 56.048 -0.010 0.000 1.330 389 H CB 0.262 30.012 29.762 -0.020 0.000 1.395 389 H HN 0.300 nan 8.280 nan 0.000 0.541 390 K N -0.692 119.684 120.400 -0.040 0.000 2.202 390 K HA -0.046 4.274 4.320 0.000 0.000 0.201 390 K C 1.020 177.347 176.600 -0.454 0.000 1.051 390 K CA 0.691 56.792 56.287 -0.310 0.000 0.977 390 K CB 0.200 32.456 32.500 -0.408 0.000 0.792 390 K HN 0.171 nan 8.250 nan 0.000 0.469 391 Y N -0.469 119.813 120.300 -0.030 0.000 2.483 391 Y HA 0.353 4.903 4.550 0.000 0.000 0.258 391 Y C 0.471 176.348 175.900 -0.039 0.000 1.083 391 Y CA 0.094 58.175 58.100 -0.032 0.000 1.283 391 Y CB 1.591 40.042 38.460 -0.015 0.000 1.178 391 Y HN 0.180 nan 8.280 nan 0.000 0.515 392 G N 0.682 109.546 108.800 0.107 0.000 2.784 392 G HA2 -0.165 3.795 3.960 0.000 0.000 0.686 392 G HA3 -0.165 3.795 3.960 0.000 0.000 0.686 392 G C 0.290 175.225 174.900 0.058 0.000 1.156 392 G CA -0.398 44.733 45.100 0.052 0.000 0.757 392 G HN 0.046 nan 8.290 nan 0.000 0.642 393 I N 1.110 121.700 120.570 0.033 0.000 2.315 393 I HA -0.196 3.975 4.170 0.000 0.000 0.251 393 I C 2.703 178.825 176.117 0.008 0.000 1.125 393 I CA 2.451 63.763 61.300 0.020 0.000 1.392 393 I CB -0.574 37.432 38.000 0.010 0.000 1.065 393 I HN 0.904 nan 8.210 nan 0.000 0.424 394 E N 0.554 120.759 120.200 0.009 0.000 2.427 394 E HA -0.135 4.215 4.350 0.000 0.000 0.196 394 E C 0.751 177.348 176.600 -0.005 0.000 1.028 394 E CA 0.628 57.028 56.400 -0.001 0.000 0.864 394 E CB -0.239 29.462 29.700 0.001 0.000 0.813 394 E HN 0.530 nan 8.360 nan 0.000 0.514 395 N N 0.965 119.670 118.700 0.009 0.000 2.214 395 N HA 0.129 4.869 4.740 0.000 0.000 0.214 395 N C -0.791 174.684 175.510 -0.058 0.000 1.132 395 N CA 0.054 53.098 53.050 -0.009 0.000 0.856 395 N CB 1.806 40.314 38.487 0.035 0.000 1.020 395 N HN -0.034 nan 8.380 nan 0.000 0.509 396 V N 1.211 121.097 119.914 -0.046 0.000 2.487 396 V HA 0.321 4.441 4.120 0.000 0.000 0.298 396 V C -0.206 175.835 176.094 -0.088 0.000 1.028 396 V CA -0.760 61.498 62.300 -0.071 0.000 0.860 396 V CB 2.299 34.112 31.823 -0.017 0.000 0.991 396 V HN 0.021 nan 8.190 nan 0.000 0.427 397 K N 3.306 123.633 120.400 -0.122 0.000 2.378 397 K HA 0.810 5.131 4.320 0.000 0.000 0.252 397 K C -0.419 176.040 176.600 -0.236 0.000 0.931 397 K CA -0.269 55.905 56.287 -0.189 0.000 0.794 397 K CB 2.226 34.611 32.500 -0.192 0.000 1.181 397 K HN 0.809 nan 8.250 nan 0.000 0.425 398 T N -0.243 114.125 114.554 -0.310 0.000 2.924 398 T HA 0.559 4.910 4.350 0.000 0.000 0.291 398 T C -1.020 173.406 174.700 -0.458 0.000 1.045 398 T CA -0.622 61.335 62.100 -0.238 0.000 1.015 398 T CB 0.689 69.504 68.868 -0.090 0.000 1.103 398 T HN 0.424 nan 8.240 nan 0.000 0.496 399 Y N 0.301 120.573 120.300 -0.046 0.000 2.477 399 Y HA 0.673 5.223 4.550 0.000 0.000 0.347 399 Y C 0.456 176.345 175.900 -0.018 0.000 0.981 399 Y CA -0.570 57.508 58.100 -0.038 0.000 1.033 399 Y CB 2.682 41.104 38.460 -0.065 0.000 1.245 399 Y HN 1.167 nan 8.280 nan 0.000 0.455 400 S N 0.378 116.176 115.700 0.163 0.000 2.625 400 S HA 0.862 5.332 4.470 0.000 0.000 0.271 400 S C -1.122 173.554 174.600 0.127 0.000 1.161 400 S CA -0.733 57.539 58.200 0.120 0.000 0.820 400 S CB 2.294 65.545 63.200 0.085 0.000 1.137 400 S HN 0.689 nan 8.310 nan 0.000 0.470 401 T N -0.081 114.559 114.554 0.143 0.000 2.853 401 T HA 0.742 5.092 4.350 0.000 0.000 0.311 401 T C -1.806 173.024 174.700 0.217 0.000 1.307 401 T CA -0.284 61.930 62.100 0.190 0.000 1.019 401 T CB 1.711 70.716 68.868 0.228 0.000 1.264 401 T HN 1.160 nan 8.240 nan 0.000 0.497 402 S N 2.180 118.030 115.700 0.249 0.000 2.572 402 S HA 0.859 5.329 4.470 0.000 0.000 0.274 402 S C -1.683 173.079 174.600 0.270 0.000 1.150 402 S CA -0.673 57.620 58.200 0.155 0.000 0.944 402 S CB 0.356 63.605 63.200 0.082 0.000 1.071 402 S HN 0.767 nan 8.310 nan 0.000 0.479 403 F N -0.101 119.893 119.950 0.073 0.000 2.741 403 F HA 0.615 5.142 4.527 0.000 0.000 0.311 403 F C -0.777 175.086 175.800 0.104 0.000 1.149 403 F CA -0.934 57.114 58.000 0.082 0.000 0.930 403 F CB 0.885 39.936 39.000 0.084 0.000 1.312 403 F HN 0.260 nan 8.300 nan 0.000 0.450 404 T N 3.268 117.974 114.554 0.252 0.000 2.727 404 T HA 0.440 4.790 4.350 0.000 0.000 0.298 404 T C -2.614 172.312 174.700 0.376 0.000 0.942 404 T CA -1.019 61.207 62.100 0.210 0.000 0.997 404 T CB 0.567 69.543 68.868 0.179 0.000 0.917 404 T HN 0.319 nan 8.240 nan 0.000 0.487 405 P HA 0.053 nan 4.420 nan 0.000 0.266 405 P C 1.041 178.550 177.300 0.348 0.000 1.195 405 P CA -0.206 63.142 63.100 0.414 0.000 0.768 405 P CB 0.460 32.349 31.700 0.316 0.000 0.838 406 M N 3.561 123.335 119.600 0.290 0.000 2.255 406 M HA -0.270 4.210 4.480 0.000 0.000 0.259 406 M C 1.631 178.035 176.300 0.173 0.000 1.071 406 M CA 1.735 57.154 55.300 0.198 0.000 1.074 406 M CB -0.665 32.025 32.600 0.150 0.000 1.384 406 M HN 0.354 nan 8.290 nan 0.000 0.415 407 Y N 0.281 120.626 120.300 0.074 0.000 2.241 407 Y HA -0.293 4.257 4.550 0.000 0.000 0.286 407 Y C 1.703 177.625 175.900 0.037 0.000 1.166 407 Y CA 2.079 60.191 58.100 0.021 0.000 1.203 407 Y CB -0.339 38.042 38.460 -0.131 0.000 0.977 407 Y HN 0.409 nan 8.280 nan 0.000 0.529 408 H N -0.793 118.355 119.070 0.131 0.000 2.551 408 H HA 0.332 4.888 4.556 0.000 0.000 0.271 408 H C 2.161 177.474 175.328 -0.024 0.000 0.984 408 H CA 0.499 56.573 56.048 0.042 0.000 1.164 408 H CB -0.103 29.763 29.762 0.174 0.000 1.437 408 H HN 0.495 nan 8.280 nan 0.000 0.550 409 A N 1.166 124.031 122.820 0.075 0.000 2.032 409 A HA -0.128 4.193 4.320 0.000 0.000 0.221 409 A C 2.085 179.636 177.584 -0.056 0.000 1.165 409 A CA 1.998 54.050 52.037 0.026 0.000 0.645 409 A CB -0.461 18.552 19.000 0.021 0.000 0.807 409 A HN 0.279 nan 8.150 nan 0.000 0.453 410 V N -3.145 116.668 119.914 -0.168 0.000 3.253 410 V HA 0.298 4.418 4.120 0.000 0.000 0.320 410 V C 0.410 176.334 176.094 -0.283 0.000 1.442 410 V CA 0.426 62.571 62.300 -0.258 0.000 1.097 410 V CB -0.857 30.707 31.823 -0.431 0.000 1.008 410 V HN 0.509 nan 8.190 nan 0.000 0.463 411 T N -2.793 111.671 114.554 -0.149 0.000 2.948 411 T HA 0.528 4.878 4.350 0.000 0.000 0.285 411 T C 0.483 175.191 174.700 0.014 0.000 1.019 411 T CA -0.457 61.614 62.100 -0.048 0.000 1.013 411 T CB 2.443 71.374 68.868 0.105 0.000 1.117 411 T HN 0.180 nan 8.240 nan 0.000 0.533 412 K N -0.592 119.828 120.400 0.033 0.000 2.284 412 K HA 0.165 4.485 4.320 0.000 0.000 0.198 412 K C 1.233 177.845 176.600 0.019 0.000 1.048 412 K CA -0.034 56.264 56.287 0.019 0.000 0.987 412 K CB 0.252 32.762 32.500 0.017 0.000 0.800 412 K HN 0.454 nan 8.250 nan 0.000 0.486 413 R N 1.702 122.237 120.500 0.058 0.000 2.441 413 R HA 0.092 4.432 4.340 0.000 0.000 0.284 413 R C -0.716 175.530 176.300 -0.089 0.000 1.070 413 R CA 0.082 56.203 56.100 0.036 0.000 1.047 413 R CB 0.542 30.927 30.300 0.141 0.000 1.016 413 R HN -0.214 nan 8.270 nan 0.000 0.477 414 K N 1.854 122.116 120.400 -0.229 0.000 2.482 414 K HA 0.392 4.712 4.320 0.000 0.000 0.257 414 K C -0.913 175.432 176.600 -0.426 0.000 0.969 414 K CA -0.721 55.243 56.287 -0.538 0.000 0.842 414 K CB 2.241 34.594 32.500 -0.245 0.000 1.359 414 K HN 0.902 nan 8.250 nan 0.000 0.441 415 T N -2.224 112.035 114.554 -0.490 0.000 2.841 415 T HA 0.583 4.933 4.350 0.000 0.000 0.296 415 T C -0.772 173.917 174.700 -0.019 0.000 1.166 415 T CA -0.877 61.167 62.100 -0.092 0.000 1.007 415 T CB 2.701 71.642 68.868 0.122 0.000 1.253 415 T HN 0.428 nan 8.240 nan 0.000 0.511 416 K N -0.806 119.588 120.400 -0.010 0.000 2.350 416 K HA 0.705 5.025 4.320 0.000 0.000 0.241 416 K C -1.573 174.941 176.600 -0.143 0.000 0.994 416 K CA -0.951 55.296 56.287 -0.067 0.000 0.839 416 K CB 2.308 34.773 32.500 -0.060 0.000 1.244 416 K HN 0.836 nan 8.250 nan 0.000 0.443 417 C N 3.154 122.231 119.300 -0.372 0.000 2.340 417 C HA 0.687 5.147 4.460 0.000 0.000 0.323 417 C C -1.051 173.697 174.990 -0.403 0.000 1.260 417 C CA -0.413 58.315 59.018 -0.483 0.000 1.464 417 C CB -0.045 27.109 27.740 -0.976 0.000 2.156 417 C HN 0.488 nan 8.230 nan 0.000 0.476 418 V N 5.215 125.037 119.914 -0.153 0.000 2.540 418 V HA 0.751 4.871 4.120 0.000 0.000 0.302 418 V C -0.608 175.504 176.094 0.029 0.000 1.035 418 V CA -0.611 61.668 62.300 -0.036 0.000 0.873 418 V CB 1.548 33.370 31.823 -0.002 0.000 0.992 418 V HN 0.945 nan 8.190 nan 0.000 0.428 419 M N 4.112 123.763 119.600 0.086 0.000 2.464 419 M HA 0.668 5.148 4.480 0.000 0.000 0.308 419 M C -0.871 175.483 176.300 0.089 0.000 1.127 419 M CA -0.570 54.785 55.300 0.092 0.000 0.913 419 M CB 2.787 35.465 32.600 0.130 0.000 1.689 419 M HN 0.877 nan 8.290 nan 0.000 0.445 420 K N 3.008 123.455 120.400 0.077 0.000 2.501 420 K HA 0.650 4.970 4.320 0.000 0.000 0.252 420 K C -1.912 174.704 176.600 0.026 0.000 0.934 420 K CA -0.558 55.783 56.287 0.090 0.000 0.797 420 K CB 2.395 34.991 32.500 0.160 0.000 1.270 420 K HN 0.830 nan 8.250 nan 0.000 0.431 421 M N 5.459 125.073 119.600 0.024 0.000 2.190 421 M HA 0.366 4.846 4.480 0.000 0.000 0.312 421 M C -1.604 174.699 176.300 0.005 0.000 0.990 421 M CA -0.873 54.392 55.300 -0.058 0.000 0.927 421 M CB 1.605 34.130 32.600 -0.125 0.000 1.571 421 M HN 0.392 nan 8.290 nan 0.000 0.427 422 V N 4.970 124.861 119.914 -0.038 0.000 2.364 422 V HA 0.371 4.491 4.120 0.000 0.000 0.272 422 V C -0.225 175.830 176.094 -0.065 0.000 1.036 422 V CA -0.590 61.700 62.300 -0.016 0.000 0.880 422 V CB 0.600 32.446 31.823 0.040 0.000 0.991 422 V HN 0.957 nan 8.190 nan 0.000 0.460 423 C N 3.940 123.202 119.300 -0.064 0.000 2.399 423 C HA 0.968 5.428 4.460 0.000 0.000 0.348 423 C C 0.635 175.514 174.990 -0.184 0.000 1.183 423 C CA -0.530 58.427 59.018 -0.103 0.000 2.023 423 C CB 1.200 28.927 27.740 -0.022 0.000 2.361 423 C HN 1.019 nan 8.230 nan 0.000 0.521 424 A N 2.197 124.853 122.820 -0.273 0.000 2.454 424 A HA 0.824 5.144 4.320 0.000 0.000 0.302 424 A C -0.358 177.047 177.584 -0.299 0.000 1.079 424 A CA -0.438 51.320 52.037 -0.466 0.000 0.731 424 A CB 0.493 18.838 19.000 -1.092 0.000 1.299 424 A HN 1.146 nan 8.150 nan 0.000 0.413 425 N N -0.142 118.413 118.700 -0.242 0.000 6.676 425 N HA -0.233 4.507 4.740 0.000 0.000 0.411 425 N C 0.845 176.312 175.510 -0.071 0.000 0.940 425 N CA 0.935 53.919 53.050 -0.110 0.000 1.544 425 N CB -0.107 38.334 38.487 -0.077 0.000 0.789 425 N HN 0.861 nan 8.380 nan 0.000 0.394 426 K N 1.455 121.833 120.400 -0.037 0.000 2.155 426 K HA -0.139 4.181 4.320 0.000 0.000 0.203 426 K C 1.145 177.736 176.600 -0.016 0.000 1.052 426 K CA 1.779 58.054 56.287 -0.020 0.000 0.948 426 K CB -0.049 32.445 32.500 -0.010 0.000 0.728 426 K HN 0.600 nan 8.250 nan 0.000 0.448 427 E N 1.146 121.333 120.200 -0.021 0.000 2.268 427 E HA -0.151 4.199 4.350 0.000 0.000 0.195 427 E C -0.387 176.199 176.600 -0.023 0.000 0.995 427 E CA 0.498 56.889 56.400 -0.016 0.000 0.836 427 E CB -0.395 29.296 29.700 -0.015 0.000 0.763 427 E HN 0.381 nan 8.360 nan 0.000 0.491 428 E N 1.177 121.352 120.200 -0.041 0.000 2.257 428 E HA -0.189 4.161 4.350 0.000 0.000 0.217 428 E C -0.413 176.146 176.600 -0.068 0.000 1.248 428 E CA 0.450 56.823 56.400 -0.045 0.000 0.691 428 E CB -1.437 28.265 29.700 0.004 0.000 1.185 428 E HN 0.232 nan 8.360 nan 0.000 0.377 429 K N 0.789 121.136 120.400 -0.089 0.000 2.412 429 K HA 0.170 4.490 4.320 0.000 0.000 0.281 429 K C -0.029 176.505 176.600 -0.111 0.000 1.027 429 K CA -0.239 56.000 56.287 -0.080 0.000 0.989 429 K CB 0.803 33.249 32.500 -0.089 0.000 0.935 429 K HN 0.032 nan 8.250 nan 0.000 0.475 430 V N 6.891 126.741 119.914 -0.107 0.000 2.397 430 V HA -0.022 4.098 4.120 0.000 0.000 0.262 430 V C 0.985 177.027 176.094 -0.088 0.000 1.047 430 V CA -0.058 62.147 62.300 -0.157 0.000 1.003 430 V CB 0.564 32.227 31.823 -0.266 0.000 1.037 430 V HN 0.775 nan 8.190 nan 0.000 0.480 431 V N 2.081 121.944 119.914 -0.084 0.000 3.621 431 V HA 0.637 4.757 4.120 0.000 0.000 0.285 431 V C 0.780 176.858 176.094 -0.026 0.000 1.346 431 V CA 0.644 62.932 62.300 -0.021 0.000 1.104 431 V CB 0.030 31.871 31.823 0.029 0.000 0.913 431 V HN 0.797 nan 8.190 nan 0.000 0.432 432 G N 0.191 108.933 108.800 -0.096 0.000 2.768 432 G HA2 0.668 4.628 3.960 0.000 0.000 0.297 432 G HA3 0.668 4.628 3.960 0.000 0.000 0.297 432 G C -1.545 173.131 174.900 -0.375 0.000 1.430 432 G CA -0.608 44.375 45.100 -0.194 0.000 1.030 432 G HN 0.158 nan 8.290 nan 0.000 0.553 433 I N 2.599 122.842 120.570 -0.545 0.000 2.466 433 I HA 0.443 4.613 4.170 0.000 0.000 0.289 433 I C -0.977 174.753 176.117 -0.645 0.000 1.026 433 I CA -0.931 60.090 61.300 -0.465 0.000 1.078 433 I CB 2.340 40.211 38.000 -0.216 0.000 1.249 433 I HN 0.421 nan 8.210 nan 0.000 0.429 434 H N 7.855 126.923 119.070 -0.004 0.000 2.782 434 H HA 0.700 5.256 4.556 0.000 0.000 0.347 434 H C -0.831 174.512 175.328 0.025 0.000 1.038 434 H CA -0.704 55.357 56.048 0.022 0.000 1.255 434 H CB 2.212 31.993 29.762 0.033 0.000 1.623 434 H HN 0.582 nan 8.280 nan 0.000 0.525 435 M N 0.994 120.673 119.600 0.132 0.000 2.603 435 M HA 0.488 4.968 4.480 0.000 0.000 0.275 435 M C -1.644 174.693 176.300 0.061 0.000 1.226 435 M CA -0.953 54.397 55.300 0.082 0.000 0.870 435 M CB 3.587 36.223 32.600 0.061 0.000 1.716 435 M HN 0.433 nan 8.290 nan 0.000 0.482 436 Q N 0.672 120.491 119.800 0.032 0.000 2.315 436 Q HA 0.804 5.144 4.340 0.000 0.000 0.273 436 Q C -1.274 174.724 176.000 -0.002 0.000 1.053 436 Q CA -0.227 55.584 55.803 0.012 0.000 0.817 436 Q CB 2.831 31.572 28.738 0.005 0.000 1.326 436 Q HN 1.225 nan 8.270 nan 0.000 0.423 437 G N 1.866 110.678 108.800 0.019 0.000 2.339 437 G HA2 0.138 4.098 3.960 0.000 0.000 0.302 437 G HA3 0.138 4.098 3.960 0.000 0.000 0.302 437 G C -1.605 173.344 174.900 0.082 0.000 1.425 437 G CA -1.101 44.015 45.100 0.026 0.000 0.899 437 G HN 0.610 nan 8.290 nan 0.000 0.619 438 L N 1.307 122.593 121.223 0.106 0.000 2.584 438 L HA 0.318 4.658 4.340 0.000 0.000 0.272 438 L C 1.760 178.710 176.870 0.133 0.000 1.195 438 L CA 1.947 56.866 54.840 0.131 0.000 0.920 438 L CB 0.465 42.590 42.059 0.110 0.000 1.173 438 L HN 1.987 nan 8.230 nan 0.000 0.489 439 G N 1.810 110.701 108.800 0.152 0.000 2.234 439 G HA2 -0.278 3.682 3.960 0.000 0.000 0.235 439 G HA3 -0.278 3.682 3.960 0.000 0.000 0.235 439 G C 0.839 175.812 174.900 0.121 0.000 0.997 439 G CA 0.125 45.308 45.100 0.139 0.000 0.623 439 G HN 0.679 nan 8.290 nan 0.000 0.514 440 C N 2.393 121.753 119.300 0.101 0.000 2.430 440 C HA 0.061 4.521 4.460 0.000 0.000 0.288 440 C C 2.597 177.593 174.990 0.010 0.000 1.448 440 C CA 1.354 60.413 59.018 0.068 0.000 1.784 440 C CB -0.872 26.894 27.740 0.044 0.000 1.776 440 C HN 0.757 nan 8.230 nan 0.000 0.547 441 D N 0.818 121.208 120.400 -0.015 0.000 2.149 441 D HA -0.116 4.524 4.640 0.000 0.000 0.201 441 D C 1.593 177.896 176.300 0.006 0.000 0.972 441 D CA 1.155 55.095 54.000 -0.100 0.000 0.835 441 D CB -0.538 40.212 40.800 -0.084 0.000 0.966 441 D HN 0.425 nan 8.370 nan 0.000 0.476 442 E N -0.501 119.735 120.200 0.060 0.000 2.472 442 E HA 0.121 4.471 4.350 0.000 0.000 0.196 442 E C 1.820 178.445 176.600 0.042 0.000 1.033 442 E CA -0.118 56.317 56.400 0.057 0.000 0.886 442 E CB 0.297 30.038 29.700 0.069 0.000 0.944 442 E HN 0.362 nan 8.360 nan 0.000 0.492 443 M N 0.190 119.832 119.600 0.070 0.000 2.435 443 M HA -0.022 4.458 4.480 0.000 0.000 0.265 443 M C 1.899 178.277 176.300 0.130 0.000 1.104 443 M CA 0.336 55.699 55.300 0.105 0.000 1.140 443 M CB 0.210 32.932 32.600 0.204 0.000 1.372 443 M HN 0.079 nan 8.290 nan 0.000 0.456 444 L N 0.941 122.236 121.223 0.119 0.000 1.989 444 L HA -0.249 4.091 4.340 0.000 0.000 0.211 444 L C 2.305 179.222 176.870 0.078 0.000 1.071 444 L CA 2.101 57.020 54.840 0.132 0.000 0.749 444 L CB -0.881 41.215 42.059 0.062 0.000 0.890 444 L HN 0.347 nan 8.230 nan 0.000 0.431 445 Q N -0.589 119.218 119.800 0.012 0.000 2.065 445 Q HA -0.232 4.108 4.340 0.000 0.000 0.213 445 Q C 2.041 178.014 176.000 -0.044 0.000 1.012 445 Q CA 2.678 58.472 55.803 -0.015 0.000 0.876 445 Q CB -1.025 27.700 28.738 -0.022 0.000 0.954 445 Q HN 0.579 nan 8.270 nan 0.000 0.413 446 G N -1.555 107.166 108.800 -0.132 0.000 2.403 446 G HA2 -0.184 3.776 3.960 0.000 0.000 0.216 446 G HA3 -0.184 3.776 3.960 0.000 0.000 0.216 446 G C 1.056 175.855 174.900 -0.169 0.000 1.154 446 G CA 0.588 45.569 45.100 -0.198 0.000 0.784 446 G HN 0.430 nan 8.290 nan 0.000 0.538 447 F N 1.669 121.593 119.950 -0.043 0.000 2.269 447 F HA 0.032 4.559 4.527 0.000 0.000 0.301 447 F C 2.940 178.757 175.800 0.028 0.000 1.082 447 F CA 0.612 58.603 58.000 -0.016 0.000 1.360 447 F CB 0.001 39.045 39.000 0.073 0.000 1.041 447 F HN 0.232 nan 8.300 nan 0.000 0.512 448 A N -0.158 122.751 122.820 0.148 0.000 2.014 448 A HA -0.041 4.279 4.320 0.000 0.000 0.218 448 A C 2.277 179.893 177.584 0.053 0.000 1.163 448 A CA 1.260 53.350 52.037 0.088 0.000 0.652 448 A CB -0.954 18.072 19.000 0.043 0.000 0.808 448 A HN 0.181 nan 8.150 nan 0.000 0.449 449 V N -0.099 119.828 119.914 0.022 0.000 2.307 449 V HA -0.225 3.895 4.120 0.000 0.000 0.245 449 V C 3.066 179.173 176.094 0.022 0.000 1.045 449 V CA 1.865 64.165 62.300 -0.000 0.000 1.024 449 V CB -1.225 30.576 31.823 -0.037 0.000 0.651 449 V HN 0.581 nan 8.190 nan 0.000 0.449 450 A N -0.297 122.544 122.820 0.034 0.000 1.940 450 A HA -0.174 4.146 4.320 0.000 0.000 0.219 450 A C 2.372 180.043 177.584 0.145 0.000 1.176 450 A CA 2.195 54.274 52.037 0.070 0.000 0.631 450 A CB -0.662 18.358 19.000 0.034 0.000 0.814 450 A HN 0.349 nan 8.150 nan 0.000 0.446 451 V N -0.222 119.789 119.914 0.163 0.000 2.453 451 V HA -0.176 3.944 4.120 0.000 0.000 0.247 451 V C 2.508 178.650 176.094 0.079 0.000 1.048 451 V CA 2.255 64.638 62.300 0.139 0.000 1.049 451 V CB -0.504 31.388 31.823 0.116 0.000 0.672 451 V HN 0.603 nan 8.190 nan 0.000 0.457 452 K N 0.376 120.809 120.400 0.055 0.000 2.097 452 K HA -0.103 4.217 4.320 0.000 0.000 0.206 452 K C 1.921 178.540 176.600 0.032 0.000 1.049 452 K CA 1.790 58.096 56.287 0.031 0.000 0.933 452 K CB -0.346 32.162 32.500 0.013 0.000 0.717 452 K HN 0.386 nan 8.250 nan 0.000 0.442 453 M N -1.061 118.562 119.600 0.037 0.000 2.630 453 M HA 0.093 4.573 4.480 0.000 0.000 0.254 453 M C 0.595 176.921 176.300 0.042 0.000 1.092 453 M CA 0.953 56.272 55.300 0.032 0.000 1.087 453 M CB 0.349 32.964 32.600 0.026 0.000 1.453 453 M HN 0.414 nan 8.290 nan 0.000 0.509 454 G N 1.028 109.861 108.800 0.056 0.000 2.203 454 G HA2 -0.104 3.856 3.960 0.000 0.000 0.231 454 G HA3 -0.104 3.856 3.960 0.000 0.000 0.231 454 G C -0.017 174.926 174.900 0.071 0.000 1.058 454 G CA -0.107 45.026 45.100 0.056 0.000 0.781 454 G HN 0.673 nan 8.290 nan 0.000 0.496 455 A N -0.002 122.888 122.820 0.116 0.000 2.386 455 A HA 0.850 5.170 4.320 0.000 0.000 0.248 455 A C 1.099 178.755 177.584 0.120 0.000 1.082 455 A CA 1.023 53.151 52.037 0.151 0.000 0.789 455 A CB 0.430 19.610 19.000 0.300 0.000 1.025 455 A HN 1.893 nan 8.150 nan 0.000 0.490 456 T N -1.164 113.449 114.554 0.097 0.000 2.884 456 T HA 0.376 4.726 4.350 0.000 0.000 0.277 456 T C 0.958 175.679 174.700 0.035 0.000 0.976 456 T CA 0.079 62.198 62.100 0.033 0.000 0.956 456 T CB 0.815 69.696 68.868 0.021 0.000 1.113 456 T HN 0.607 nan 8.240 nan 0.000 0.554 457 K N 0.044 120.403 120.400 -0.068 0.000 2.211 457 K HA 0.151 4.471 4.320 0.000 0.000 0.203 457 K C 2.242 178.839 176.600 -0.004 0.000 1.050 457 K CA 1.323 57.528 56.287 -0.136 0.000 0.945 457 K CB -0.926 31.444 32.500 -0.217 0.000 0.732 457 K HN 0.663 nan 8.250 nan 0.000 0.451 458 A N 0.996 123.828 122.820 0.020 0.000 1.969 458 A HA -0.155 4.165 4.320 0.000 0.000 0.218 458 A C 1.606 179.237 177.584 0.080 0.000 1.169 458 A CA 1.771 53.828 52.037 0.034 0.000 0.635 458 A CB -0.486 18.526 19.000 0.020 0.000 0.810 458 A HN 0.406 nan 8.150 nan 0.000 0.445 459 D N -0.662 119.814 120.400 0.128 0.000 2.097 459 D HA -0.128 4.512 4.640 0.000 0.000 0.195 459 D C 1.614 178.021 176.300 0.178 0.000 0.989 459 D CA 1.194 55.278 54.000 0.140 0.000 0.827 459 D CB -0.387 40.513 40.800 0.167 0.000 0.966 459 D HN 0.423 nan 8.370 nan 0.000 0.456 460 F N 1.822 121.770 119.950 -0.003 0.000 2.102 460 F HA -0.142 4.385 4.527 0.000 0.000 0.298 460 F C 2.209 178.001 175.800 -0.012 0.000 1.105 460 F CA 1.003 59.009 58.000 0.009 0.000 1.239 460 F CB -0.528 38.453 39.000 -0.031 0.000 0.991 460 F HN -0.122 nan 8.300 nan 0.000 0.474 461 D N -0.503 120.000 120.400 0.172 0.000 2.218 461 D HA -0.131 4.509 4.640 0.000 0.000 0.204 461 D C 1.505 177.827 176.300 0.037 0.000 0.976 461 D CA 0.885 54.922 54.000 0.062 0.000 0.853 461 D CB -0.449 40.351 40.800 -0.000 0.000 0.939 461 D HN 0.252 nan 8.370 nan 0.000 0.481 462 N N 0.017 118.741 118.700 0.041 0.000 2.383 462 N HA -0.009 4.731 4.740 0.000 0.000 0.192 462 N C -0.292 175.222 175.510 0.007 0.000 1.141 462 N CA 0.277 53.338 53.050 0.018 0.000 0.851 462 N CB 0.493 38.989 38.487 0.015 0.000 0.976 462 N HN 0.028 nan 8.380 nan 0.000 0.465 463 T N 0.962 115.521 114.554 0.007 0.000 2.743 463 T HA 0.259 4.609 4.350 0.000 0.000 0.293 463 T C 0.551 175.250 174.700 -0.001 0.000 0.945 463 T CA -0.402 61.691 62.100 -0.012 0.000 1.030 463 T CB 2.083 70.923 68.868 -0.046 0.000 0.912 463 T HN -0.248 nan 8.240 nan 0.000 0.483 464 V N 3.468 123.377 119.914 -0.007 0.000 2.655 464 V HA 0.346 4.466 4.120 0.000 0.000 0.300 464 V C 0.966 177.064 176.094 0.006 0.000 1.044 464 V CA -0.555 61.743 62.300 -0.002 0.000 1.095 464 V CB 0.393 32.213 31.823 -0.006 0.000 0.952 464 V HN 1.091 nan 8.190 nan 0.000 0.485 465 A N 6.342 129.170 122.820 0.014 0.000 2.386 465 A HA 0.592 4.912 4.320 0.000 0.000 0.248 465 A C -0.220 177.393 177.584 0.048 0.000 1.082 465 A CA -0.282 51.776 52.037 0.034 0.000 0.789 465 A CB 0.080 19.092 19.000 0.021 0.000 1.025 465 A HN 0.753 nan 8.150 nan 0.000 0.490 466 I N 1.476 122.088 120.570 0.069 0.000 2.330 466 I HA 0.279 4.449 4.170 0.000 0.000 0.289 466 I C -0.340 175.858 176.117 0.136 0.000 1.001 466 I CA -0.142 61.203 61.300 0.076 0.000 1.193 466 I CB 1.094 39.119 38.000 0.042 0.000 1.345 466 I HN 0.762 nan 8.210 nan 0.000 0.461 467 H N 7.444 126.519 119.070 0.009 0.000 2.538 467 H HA 0.622 5.179 4.556 0.000 0.000 0.353 467 H C -2.515 172.821 175.328 0.014 0.000 1.109 467 H CA -1.966 54.087 56.048 0.009 0.000 1.192 467 H CB 1.687 31.450 29.762 0.002 0.000 1.555 467 H HN 0.309 nan 8.280 nan 0.000 0.518 468 P HA 0.338 nan 4.420 nan 0.000 0.301 468 P C -1.125 176.120 177.300 -0.092 0.000 1.338 468 P CA -0.631 62.173 63.100 -0.494 0.000 0.834 468 P CB 1.511 32.897 31.700 -0.524 0.000 0.967 469 T N -2.155 112.421 114.554 0.036 0.000 2.778 469 T HA 0.403 4.753 4.350 0.000 0.000 0.293 469 T C 0.735 175.515 174.700 0.134 0.000 1.144 469 T CA -0.458 61.692 62.100 0.084 0.000 1.010 469 T CB 1.178 70.098 68.868 0.087 0.000 1.325 469 T HN -0.026 nan 8.240 nan 0.000 0.515 470 S N 0.252 116.068 115.700 0.192 0.000 2.421 470 S HA 0.008 4.478 4.470 0.000 0.000 0.224 470 S C 2.286 177.045 174.600 0.264 0.000 1.035 470 S CA 1.110 59.492 58.200 0.304 0.000 0.953 470 S CB -0.528 62.883 63.200 0.352 0.000 0.810 470 S HN 0.909 nan 8.310 nan 0.000 0.497 471 S N 2.493 118.332 115.700 0.232 0.000 2.419 471 S HA -0.184 4.286 4.470 0.000 0.000 0.233 471 S C 1.709 176.467 174.600 0.264 0.000 1.016 471 S CA 1.302 59.675 58.200 0.288 0.000 0.974 471 S CB -0.653 62.709 63.200 0.269 0.000 0.786 471 S HN 0.774 nan 8.310 nan 0.000 0.492 472 E N 1.137 121.439 120.200 0.171 0.000 2.265 472 E HA -0.186 4.164 4.350 0.000 0.000 0.196 472 E C 1.492 178.136 176.600 0.072 0.000 0.996 472 E CA 1.120 57.594 56.400 0.123 0.000 0.832 472 E CB -0.321 29.439 29.700 0.101 0.000 0.756 472 E HN 0.463 nan 8.360 nan 0.000 0.491 473 E N 1.125 121.348 120.200 0.039 0.000 2.153 473 E HA -0.099 4.251 4.350 0.000 0.000 0.194 473 E C 2.162 178.779 176.600 0.028 0.000 0.988 473 E CA 0.629 57.019 56.400 -0.017 0.000 0.811 473 E CB -0.185 29.473 29.700 -0.070 0.000 0.746 473 E HN 0.441 nan 8.360 nan 0.000 0.466 474 L N 0.793 122.044 121.223 0.046 0.000 2.291 474 L HA -0.072 4.268 4.340 0.000 0.000 0.214 474 L C 2.100 179.012 176.870 0.070 0.000 1.120 474 L CA 0.688 55.502 54.840 -0.043 0.000 0.799 474 L CB -0.010 41.821 42.059 -0.381 0.000 0.925 474 L HN 0.051 nan 8.230 nan 0.000 0.446 475 V N -4.770 115.218 119.914 0.123 0.000 3.647 475 V HA 0.096 4.216 4.120 0.000 0.000 0.279 475 V C 1.221 177.347 176.094 0.052 0.000 1.314 475 V CA 0.750 63.141 62.300 0.151 0.000 1.125 475 V CB -0.241 31.677 31.823 0.159 0.000 0.907 475 V HN 0.435 nan 8.190 nan 0.000 0.434 476 T N -1.691 112.865 114.554 0.003 0.000 3.380 476 T HA 0.490 4.840 4.350 0.000 0.000 0.289 476 T C -0.024 174.641 174.700 -0.057 0.000 1.012 476 T CA -0.286 61.794 62.100 -0.033 0.000 0.944 476 T CB -0.386 68.458 68.868 -0.039 0.000 1.172 476 T HN 0.306 nan 8.240 nan 0.000 0.502 477 L N 1.684 122.852 121.223 -0.092 0.000 2.380 477 L HA 0.587 4.927 4.340 0.000 0.000 0.273 477 L C 0.755 177.521 176.870 -0.172 0.000 1.138 477 L CA -0.430 54.342 54.840 -0.114 0.000 0.832 477 L CB 0.754 42.710 42.059 -0.172 0.000 1.124 477 L HN 0.218 nan 8.230 nan 0.000 0.454 478 R N 0.000 120.480 120.500 -0.034 0.000 2.786 478 R HA 0.000 4.340 4.340 0.000 0.000 0.208 478 R CA 0.000 56.118 56.100 0.030 0.000 0.921 478 R CB 0.000 30.308 30.300 0.013 0.000 0.687 478 R HN 0.000 nan 8.270 nan 0.000 0.535