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 2nqz_1_A DATA FIRST_RESID 11 DATA SEQUENCE RPRFSFSIAA REGKARTGTI EMKRGVIRTP AFMPVGTAAT VKALKPETVR DATA SEQUENCE ATGADIILGN TYHLMLRPGA ERIAKLGGLH SFMGWDRPIL TDSGGFQVMX DATA SEQUENCE XXXXXXQSEE GVTFKSXXXX XXHMLSPERS IEIQHLLGSD IVMAFDEVTP DATA SEQUENCE YPATPSRAAS SMERSMRWAK RSRDAFDSRK EQAENAALFG IQQGSVFENL DATA SEQUENCE RQQSADALAE IGFDGYAVGG LSGGEGQDEM FRVLDFSVPM LPDDKPHYLM DATA SEQUENCE GVGKPDDIVG AVERGIDMFD CVLPTRSGRN GQAFTWDGPI NIRNARFSED DATA SEQUENCE LKPLDSECHC AVCQKWSRAY IHHLIRAGEI LGAMLMTEHN IAFYQQLMQK DATA SEQUENCE IRDSISEGRF SQFAQDFRAR YFA 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 11 R HA 0.000 nan 4.340 nan 0.000 0.208 11 R C 0.000 176.312 176.300 0.020 0.000 0.893 11 R CA 0.000 56.103 56.100 0.005 0.000 0.921 11 R CB 0.000 30.300 30.300 0.001 0.000 0.687 12 P HA 0.162 nan 4.420 nan 0.000 0.276 12 P C -0.060 177.292 177.300 0.087 0.000 1.261 12 P CA -0.522 62.611 63.100 0.054 0.000 0.800 12 P CB 0.944 32.678 31.700 0.057 0.000 1.066 13 R N -0.004 120.568 120.500 0.119 0.000 2.096 13 R HA -0.121 4.269 4.340 0.084 0.000 0.240 13 R C -0.253 176.219 176.300 0.286 0.000 1.139 13 R CA 1.416 57.621 56.100 0.175 0.000 0.952 13 R CB -0.174 30.234 30.300 0.180 0.000 0.854 13 R HN 0.535 nan 8.270 nan 0.000 0.436 14 F N -0.169 119.837 119.950 0.092 0.000 2.639 14 F HA 0.248 4.824 4.527 0.083 0.000 0.326 14 F C -1.641 174.225 175.800 0.111 0.000 1.150 14 F CA -0.527 57.541 58.000 0.112 0.000 1.057 14 F CB 1.820 40.902 39.000 0.136 0.000 1.300 14 F HN 0.064 nan 8.300 nan 0.000 0.486 15 S N 5.268 120.743 115.700 -0.376 0.000 2.614 15 S HA 0.680 5.201 4.470 0.084 0.000 0.275 15 S C -1.806 172.600 174.600 -0.323 0.000 1.161 15 S CA -0.616 57.452 58.200 -0.220 0.000 0.969 15 S CB 1.567 64.724 63.200 -0.072 0.000 1.059 15 S HN 0.684 nan 8.310 nan 0.000 0.482 16 F N 3.751 123.495 119.950 -0.344 0.000 2.426 16 F HA 0.753 5.329 4.527 0.083 0.000 0.348 16 F C -0.225 175.506 175.800 -0.114 0.000 1.124 16 F CA -0.512 57.341 58.000 -0.244 0.000 1.008 16 F CB 1.821 40.740 39.000 -0.134 0.000 1.139 16 F HN 0.868 nan 8.300 nan 0.000 0.452 17 S N 6.484 121.865 115.700 -0.531 0.000 2.521 17 S HA 0.734 5.255 4.470 0.084 0.000 0.295 17 S C -0.900 173.285 174.600 -0.692 0.000 1.098 17 S CA -0.790 57.091 58.200 -0.531 0.000 0.999 17 S CB 1.362 64.408 63.200 -0.256 0.000 1.034 17 S HN 0.551 nan 8.310 nan 0.000 0.483 18 I N 3.058 123.274 120.570 -0.590 0.000 2.315 18 I HA 0.435 4.655 4.170 0.084 0.000 0.291 18 I C 1.115 177.092 176.117 -0.232 0.000 1.006 18 I CA -0.631 60.413 61.300 -0.427 0.000 1.265 18 I CB 1.523 39.312 38.000 -0.350 0.000 1.387 18 I HN 0.960 nan 8.210 nan 0.000 0.475 19 A N 5.286 128.000 122.820 -0.177 0.000 2.044 19 A HA 0.680 5.050 4.320 0.084 0.000 0.213 19 A C 0.905 178.435 177.584 -0.089 0.000 1.169 19 A CA 0.759 52.725 52.037 -0.118 0.000 0.724 19 A CB 0.192 19.132 19.000 -0.100 0.000 0.840 19 A HN 0.754 nan 8.150 nan 0.000 0.463 20 A N -0.973 121.795 122.820 -0.087 0.000 2.605 20 A HA 0.730 5.100 4.320 0.084 0.000 0.294 20 A C -0.842 176.711 177.584 -0.052 0.000 1.062 20 A CA -0.747 51.254 52.037 -0.060 0.000 0.682 20 A CB 1.007 19.975 19.000 -0.054 0.000 1.278 20 A HN 0.266 nan 8.150 nan 0.000 0.410 21 R N 0.163 120.646 120.500 -0.028 0.000 2.771 21 R HA 0.698 5.088 4.340 0.084 0.000 0.274 21 R C -1.278 175.034 176.300 0.020 0.000 0.987 21 R CA -0.661 55.435 56.100 -0.007 0.000 0.908 21 R CB 2.572 32.872 30.300 0.000 0.000 1.213 21 R HN 0.773 nan 8.270 nan 0.000 0.468 22 E N 1.137 121.368 120.200 0.050 0.000 2.343 22 E HA 0.314 4.714 4.350 0.084 0.000 0.260 22 E C 0.015 176.682 176.600 0.112 0.000 0.908 22 E CA 0.093 56.548 56.400 0.092 0.000 0.814 22 E CB 1.123 30.912 29.700 0.148 0.000 1.302 22 E HN 0.792 nan 8.360 nan 0.000 0.408 23 G N 4.571 113.419 108.800 0.079 0.000 2.591 23 G HA2 -0.402 3.608 3.960 0.084 0.000 0.298 23 G HA3 -0.402 3.608 3.960 0.084 0.000 0.298 23 G C 0.646 175.591 174.900 0.075 0.000 1.195 23 G CA 0.531 45.675 45.100 0.074 0.000 0.989 23 G HN 0.576 nan 8.290 nan 0.000 0.551 24 K N 1.431 121.883 120.400 0.086 0.000 2.418 24 K HA 0.489 4.859 4.320 0.084 0.000 0.195 24 K C 1.367 178.028 176.600 0.101 0.000 1.035 24 K CA 0.551 56.889 56.287 0.086 0.000 1.003 24 K CB 0.204 32.749 32.500 0.075 0.000 0.793 24 K HN 0.762 nan 8.250 nan 0.000 0.494 25 A N 1.859 124.749 122.820 0.116 0.000 2.371 25 A HA 0.406 4.776 4.320 0.084 0.000 0.257 25 A C -0.362 177.232 177.584 0.016 0.000 1.089 25 A CA -0.245 51.836 52.037 0.073 0.000 0.794 25 A CB 0.347 19.395 19.000 0.081 0.000 1.029 25 A HN 0.153 nan 8.150 nan 0.000 0.488 26 R N -0.067 120.424 120.500 -0.015 0.000 2.795 26 R HA 0.737 5.127 4.340 0.084 0.000 0.275 26 R C -0.601 175.666 176.300 -0.055 0.000 0.981 26 R CA -0.420 55.667 56.100 -0.022 0.000 0.917 26 R CB 2.072 32.386 30.300 0.024 0.000 1.202 26 R HN 0.679 nan 8.270 nan 0.000 0.469 27 T N -0.150 114.363 114.554 -0.069 0.000 2.893 27 T HA 0.839 5.239 4.350 0.084 0.000 0.293 27 T C -0.544 174.111 174.700 -0.075 0.000 1.027 27 T CA -0.072 61.989 62.100 -0.066 0.000 0.988 27 T CB 1.448 70.255 68.868 -0.101 0.000 1.043 27 T HN 0.754 nan 8.240 nan 0.000 0.461 28 G N 1.688 110.464 108.800 -0.041 0.000 2.500 28 G HA2 0.623 4.633 3.960 0.084 0.000 0.299 28 G HA3 0.623 4.633 3.960 0.084 0.000 0.299 28 G C -0.916 173.975 174.900 -0.015 0.000 1.242 28 G CA 0.002 45.043 45.100 -0.097 0.000 0.859 28 G HN 1.135 nan 8.290 nan 0.000 0.481 29 T N -1.686 112.846 114.554 -0.038 0.000 2.916 29 T HA 0.709 5.109 4.350 0.084 0.000 0.305 29 T C -0.935 173.824 174.700 0.097 0.000 1.119 29 T CA -0.538 61.579 62.100 0.028 0.000 1.008 29 T CB 1.839 70.690 68.868 -0.029 0.000 1.129 29 T HN 0.589 nan 8.240 nan 0.000 0.480 30 I N 1.979 122.600 120.570 0.085 0.000 2.330 30 I HA 0.343 4.564 4.170 0.084 0.000 0.289 30 I C 0.199 176.265 176.117 -0.086 0.000 1.001 30 I CA -0.684 60.593 61.300 -0.039 0.000 1.193 30 I CB 1.472 39.434 38.000 -0.062 0.000 1.345 30 I HN 0.646 nan 8.210 nan 0.000 0.461 31 E N 7.654 127.769 120.200 -0.142 0.000 2.174 31 E HA 0.570 4.970 4.350 0.084 0.000 0.282 31 E C -0.744 175.813 176.600 -0.070 0.000 0.992 31 E CA -0.372 55.979 56.400 -0.082 0.000 0.803 31 E CB 1.661 31.324 29.700 -0.062 0.000 1.090 31 E HN 0.486 nan 8.360 nan 0.000 0.396 32 M N 1.572 121.173 119.600 0.002 0.000 2.691 32 M HA 0.301 4.831 4.480 0.084 0.000 0.293 32 M C 0.760 177.086 176.300 0.044 0.000 1.259 32 M CA -0.837 54.501 55.300 0.063 0.000 0.827 32 M CB 1.739 34.408 32.600 0.115 0.000 1.753 32 M HN 0.237 nan 8.290 nan 0.000 0.465 33 K N 0.239 120.672 120.400 0.055 0.000 2.103 33 K HA -0.075 4.295 4.320 0.084 0.000 0.207 33 K C 1.505 178.102 176.600 -0.005 0.000 1.048 33 K CA 1.493 57.792 56.287 0.021 0.000 0.930 33 K CB 0.009 32.520 32.500 0.018 0.000 0.716 33 K HN 0.429 nan 8.250 nan 0.000 0.444 34 R N -0.089 120.409 120.500 -0.004 0.000 2.310 34 R HA 0.084 4.474 4.340 0.084 0.000 0.202 34 R C 0.372 176.655 176.300 -0.028 0.000 0.933 34 R CA 0.244 56.322 56.100 -0.036 0.000 1.054 34 R CB 0.742 31.015 30.300 -0.046 0.000 0.985 34 R HN 0.236 nan 8.270 nan 0.000 0.489 35 G N -0.734 108.063 108.800 -0.004 0.000 2.356 35 G HA2 0.066 4.077 3.960 0.084 0.000 0.300 35 G HA3 0.066 4.077 3.960 0.084 0.000 0.300 35 G C -1.622 173.282 174.900 0.008 0.000 1.331 35 G CA -1.004 44.091 45.100 -0.009 0.000 0.905 35 G HN -0.096 nan 8.290 nan 0.000 0.587 36 V N 0.399 120.314 119.914 0.003 0.000 2.472 36 V HA 0.630 4.800 4.120 0.084 0.000 0.290 36 V C 0.174 176.284 176.094 0.026 0.000 1.037 36 V CA -0.488 61.816 62.300 0.005 0.000 0.908 36 V CB 1.402 33.221 31.823 -0.006 0.000 0.985 36 V HN 0.590 nan 8.190 nan 0.000 0.454 37 I N 4.916 125.505 120.570 0.031 0.000 2.355 37 I HA 0.471 4.691 4.170 0.084 0.000 0.288 37 I C 0.248 176.394 176.117 0.049 0.000 0.999 37 I CA -0.426 60.903 61.300 0.048 0.000 1.163 37 I CB 1.259 39.288 38.000 0.048 0.000 1.316 37 I HN 0.482 nan 8.210 nan 0.000 0.454 38 R N 4.014 124.543 120.500 0.048 0.000 2.265 38 R HA 0.430 4.821 4.340 0.084 0.000 0.314 38 R C -0.078 176.257 176.300 0.057 0.000 1.053 38 R CA -0.355 55.769 56.100 0.040 0.000 0.931 38 R CB 1.055 31.369 30.300 0.024 0.000 1.024 38 R HN 0.652 nan 8.270 nan 0.000 0.457 39 T N 0.591 115.187 114.554 0.070 0.000 2.888 39 T HA 0.464 4.865 4.350 0.084 0.000 0.284 39 T C -2.598 172.128 174.700 0.043 0.000 1.017 39 T CA -2.841 59.312 62.100 0.087 0.000 1.022 39 T CB 2.133 71.095 68.868 0.156 0.000 1.013 39 T HN 0.191 nan 8.240 nan 0.000 0.465 40 P HA 0.430 nan 4.420 nan 0.000 0.268 40 P C -1.034 176.355 177.300 0.148 0.000 1.204 40 P CA -0.220 62.950 63.100 0.117 0.000 0.768 40 P CB 0.445 32.239 31.700 0.156 0.000 0.842 41 A N 3.507 126.444 122.820 0.196 0.000 2.350 41 A HA 0.671 5.041 4.320 0.084 0.000 0.324 41 A C -1.374 176.401 177.584 0.320 0.000 1.118 41 A CA -0.501 51.648 52.037 0.186 0.000 0.783 41 A CB 0.458 19.505 19.000 0.078 0.000 1.236 41 A HN 0.481 nan 8.150 nan 0.000 0.457 42 F N 2.365 122.405 119.950 0.150 0.000 2.444 42 F HA 0.660 5.234 4.527 0.079 0.000 0.342 42 F C -0.231 175.618 175.800 0.082 0.000 1.121 42 F CA -0.839 57.261 58.000 0.167 0.000 0.997 42 F CB 1.517 40.612 39.000 0.158 0.000 1.130 42 F HN 0.489 nan 8.300 nan 0.000 0.454 43 M N 8.539 127.667 119.600 -0.787 0.000 2.061 43 M HA 0.336 4.866 4.480 0.084 0.000 0.346 43 M C -2.418 173.410 176.300 -0.786 0.000 1.112 43 M CA -1.825 53.117 55.300 -0.597 0.000 1.021 43 M CB 1.073 33.413 32.600 -0.434 0.000 1.530 43 M HN 0.327 nan 8.290 nan 0.000 0.437 44 P HA 0.066 nan 4.420 nan 0.000 0.269 44 P C -0.771 176.376 177.300 -0.255 0.000 1.209 44 P CA -0.258 62.727 63.100 -0.192 0.000 0.776 44 P CB 0.559 32.196 31.700 -0.106 0.000 0.876 45 V N 3.005 122.817 119.914 -0.170 0.000 2.407 45 V HA 0.508 4.678 4.120 0.084 0.000 0.278 45 V C 0.959 176.973 176.094 -0.133 0.000 1.037 45 V CA -0.162 62.051 62.300 -0.146 0.000 0.900 45 V CB 1.115 32.887 31.823 -0.086 0.000 0.983 45 V HN 0.714 nan 8.190 nan 0.000 0.459 46 G N 2.743 111.454 108.800 -0.148 0.000 2.547 46 G HA2 0.404 4.414 3.960 0.084 0.000 0.327 46 G HA3 0.404 4.414 3.960 0.084 0.000 0.327 46 G C 0.615 175.474 174.900 -0.069 0.000 1.118 46 G CA -0.089 44.935 45.100 -0.126 0.000 1.022 46 G HN 0.663 nan 8.290 nan 0.000 0.464 47 T N 2.511 117.029 114.554 -0.059 0.000 2.590 47 T HA -0.015 4.386 4.350 0.084 0.000 0.257 47 T C 1.960 176.661 174.700 0.002 0.000 1.080 47 T CA 1.669 63.742 62.100 -0.044 0.000 1.180 47 T CB 0.005 68.796 68.868 -0.128 0.000 0.865 47 T HN 0.600 nan 8.240 nan 0.000 0.403 48 A N 0.161 122.971 122.820 -0.015 0.000 3.264 48 A HA 0.720 5.091 4.320 0.084 0.000 0.299 48 A C 0.984 178.602 177.584 0.055 0.000 1.272 48 A CA 0.324 52.381 52.037 0.032 0.000 1.030 48 A CB -1.058 17.948 19.000 0.010 0.000 1.102 48 A HN 1.057 nan 8.150 nan 0.000 0.615 49 A N -0.764 122.088 122.820 0.053 0.000 2.905 49 A HA -0.086 4.285 4.320 0.084 0.000 0.260 49 A C 0.611 178.187 177.584 -0.012 0.000 1.398 49 A CA 1.381 53.459 52.037 0.068 0.000 0.840 49 A CB -2.243 16.902 19.000 0.242 0.000 1.059 49 A HN 2.112 nan 8.150 nan 0.000 0.647 50 T N -1.384 113.145 114.554 -0.042 0.000 3.097 50 T HA 0.494 4.894 4.350 0.084 0.000 0.332 50 T C -0.558 174.092 174.700 -0.082 0.000 1.269 50 T CA 0.280 62.342 62.100 -0.064 0.000 1.076 50 T CB 1.420 70.254 68.868 -0.057 0.000 1.209 50 T HN 1.185 nan 8.240 nan 0.000 0.474 51 V N 6.175 126.029 119.914 -0.101 0.000 2.415 51 V HA 0.249 4.419 4.120 0.084 0.000 0.267 51 V C 0.852 176.907 176.094 -0.065 0.000 1.042 51 V CA -0.269 61.970 62.300 -0.102 0.000 1.000 51 V CB 0.005 31.749 31.823 -0.131 0.000 1.015 51 V HN 0.798 nan 8.190 nan 0.000 0.478 52 K N 4.436 124.800 120.400 -0.059 0.000 2.491 52 K HA 0.257 4.627 4.320 0.084 0.000 0.279 52 K C 1.131 177.707 176.600 -0.040 0.000 1.026 52 K CA 0.809 57.067 56.287 -0.049 0.000 1.070 52 K CB 0.193 32.664 32.500 -0.049 0.000 0.887 52 K HN 1.042 nan 8.250 nan 0.000 0.481 53 A N 2.273 125.070 122.820 -0.037 0.000 3.201 53 A HA -0.188 4.182 4.320 0.084 0.000 0.260 53 A C -0.185 177.387 177.584 -0.019 0.000 1.222 53 A CA 0.735 52.752 52.037 -0.033 0.000 1.124 53 A CB -2.037 16.940 19.000 -0.039 0.000 1.155 53 A HN 0.547 nan 8.150 nan 0.000 0.924 54 L N -0.441 120.774 121.223 -0.014 0.000 2.386 54 L HA 0.454 4.845 4.340 0.084 0.000 0.271 54 L C 0.390 177.269 176.870 0.016 0.000 0.993 54 L CA -0.901 53.943 54.840 0.008 0.000 0.819 54 L CB 1.859 43.926 42.059 0.014 0.000 1.294 54 L HN 0.239 nan 8.230 nan 0.000 0.414 55 K N 2.796 123.217 120.400 0.035 0.000 2.355 55 K HA 0.110 4.480 4.320 0.084 0.000 0.270 55 K C -1.552 175.107 176.600 0.098 0.000 1.003 55 K CA -1.369 54.950 56.287 0.052 0.000 0.957 55 K CB 0.774 33.306 32.500 0.055 0.000 0.939 55 K HN 0.268 nan 8.250 nan 0.000 0.482 56 P HA -0.256 nan 4.420 nan 0.000 0.218 56 P C 0.793 178.267 177.300 0.290 0.000 1.148 56 P CA 1.415 64.690 63.100 0.292 0.000 0.822 56 P CB 0.050 31.972 31.700 0.370 0.000 0.784 57 E N -0.855 119.445 120.200 0.166 0.000 2.110 57 E HA -0.138 4.262 4.350 0.084 0.000 0.193 57 E C 1.353 178.035 176.600 0.136 0.000 0.988 57 E CA 1.486 57.960 56.400 0.124 0.000 0.804 57 E CB -1.510 28.235 29.700 0.076 0.000 0.745 57 E HN 0.154 nan 8.360 nan 0.000 0.458 58 T N 1.297 115.929 114.554 0.129 0.000 2.812 58 T HA -0.062 4.339 4.350 0.084 0.000 0.264 58 T C 2.130 176.915 174.700 0.141 0.000 1.042 58 T CA 1.178 63.350 62.100 0.120 0.000 1.140 58 T CB -0.184 68.743 68.868 0.098 0.000 0.870 58 T HN 0.032 nan 8.240 nan 0.000 0.445 59 V N 1.956 121.969 119.914 0.164 0.000 2.287 59 V HA -0.207 3.963 4.120 0.084 0.000 0.248 59 V C 2.658 178.915 176.094 0.271 0.000 1.053 59 V CA 1.819 64.222 62.300 0.173 0.000 1.027 59 V CB -0.593 31.287 31.823 0.096 0.000 0.646 59 V HN 0.266 nan 8.190 nan 0.000 0.447 60 R N 1.176 121.898 120.500 0.370 0.000 2.075 60 R HA -0.028 4.362 4.340 0.084 0.000 0.232 60 R C 2.121 178.519 176.300 0.165 0.000 1.126 60 R CA 1.813 58.086 56.100 0.288 0.000 0.963 60 R CB -1.064 29.317 30.300 0.135 0.000 0.858 60 R HN 0.431 nan 8.270 nan 0.000 0.435 61 A N -0.362 122.539 122.820 0.136 0.000 2.076 61 A HA -0.146 4.224 4.320 0.084 0.000 0.220 61 A C 2.026 179.674 177.584 0.108 0.000 1.160 61 A CA 1.950 54.050 52.037 0.105 0.000 0.653 61 A CB -1.099 17.960 19.000 0.098 0.000 0.801 61 A HN 0.637 nan 8.150 nan 0.000 0.455 62 T N -4.654 109.975 114.554 0.124 0.000 3.085 62 T HA 0.352 4.752 4.350 0.084 0.000 0.263 62 T C 1.411 176.176 174.700 0.109 0.000 1.127 62 T CA 1.295 63.463 62.100 0.114 0.000 1.103 62 T CB 0.042 68.977 68.868 0.113 0.000 0.921 62 T HN 1.616 nan 8.240 nan 0.000 0.510 63 G N 0.747 109.620 108.800 0.122 0.000 2.192 63 G HA2 0.084 4.094 3.960 0.084 0.000 0.193 63 G HA3 0.084 4.094 3.960 0.084 0.000 0.193 63 G C 0.269 175.258 174.900 0.147 0.000 0.999 63 G CA -0.200 44.968 45.100 0.113 0.000 0.659 63 G HN 1.075 nan 8.290 nan 0.000 0.503 64 A N 0.447 123.384 122.820 0.196 0.000 2.511 64 A HA 0.519 4.889 4.320 0.084 0.000 0.242 64 A C 1.038 178.809 177.584 0.311 0.000 1.069 64 A CA 1.016 53.191 52.037 0.230 0.000 0.763 64 A CB 0.286 19.403 19.000 0.195 0.000 1.001 64 A HN 0.172 nan 8.150 nan 0.000 0.498 65 D N 0.461 121.007 120.400 0.243 0.000 2.366 65 D HA 0.210 4.900 4.640 0.084 0.000 0.205 65 D C 0.224 176.735 176.300 0.352 0.000 1.022 65 D CA 0.906 55.047 54.000 0.234 0.000 0.868 65 D CB 0.423 41.300 40.800 0.129 0.000 0.953 65 D HN 0.579 nan 8.370 nan 0.000 0.514 66 I N 0.392 121.157 120.570 0.325 0.000 2.842 66 I HA 0.275 4.495 4.170 0.084 0.000 0.297 66 I C -1.812 174.263 176.117 -0.069 0.000 1.380 66 I CA -0.926 60.513 61.300 0.231 0.000 1.018 66 I CB 2.159 40.212 38.000 0.089 0.000 1.311 66 I HN -0.214 nan 8.210 nan 0.000 0.439 67 I N 4.234 124.636 120.570 -0.279 0.000 3.002 67 I HA 0.608 4.828 4.170 0.084 0.000 0.310 67 I C -1.841 174.081 176.117 -0.324 0.000 1.087 67 I CA -0.966 60.052 61.300 -0.469 0.000 1.017 67 I CB 2.116 39.601 38.000 -0.859 0.000 1.226 67 I HN 0.654 nan 8.210 nan 0.000 0.443 68 L N 2.596 123.647 121.223 -0.287 0.000 2.317 68 L HA 0.858 5.248 4.340 0.084 0.000 0.281 68 L C -0.064 176.714 176.870 -0.154 0.000 1.024 68 L CA -0.156 54.569 54.840 -0.192 0.000 0.810 68 L CB 1.464 43.428 42.059 -0.157 0.000 1.240 68 L HN 0.915 nan 8.230 nan 0.000 0.427 69 G N 2.455 111.196 108.800 -0.098 0.000 2.452 69 G HA2 0.354 4.364 3.960 0.084 0.000 0.324 69 G HA3 0.354 4.364 3.960 0.084 0.000 0.324 69 G C -1.258 173.654 174.900 0.021 0.000 1.214 69 G CA -0.719 44.353 45.100 -0.047 0.000 0.947 69 G HN 0.759 nan 8.290 nan 0.000 0.478 70 N N 1.466 120.214 118.700 0.080 0.000 2.437 70 N HA 0.223 5.014 4.740 0.084 0.000 0.243 70 N C 1.273 176.875 175.510 0.153 0.000 1.041 70 N CA -0.410 52.737 53.050 0.162 0.000 0.940 70 N CB 1.470 40.156 38.487 0.332 0.000 1.133 70 N HN 0.411 nan 8.380 nan 0.000 0.506 71 T N 0.757 115.385 114.554 0.124 0.000 2.699 71 T HA -0.269 4.131 4.350 0.084 0.000 0.268 71 T C 1.519 176.280 174.700 0.101 0.000 1.036 71 T CA 1.411 63.573 62.100 0.104 0.000 1.147 71 T CB -0.389 68.548 68.868 0.115 0.000 0.862 71 T HN 0.588 nan 8.240 nan 0.000 0.446 72 Y N 1.381 121.667 120.300 -0.025 0.000 2.145 72 Y HA -0.217 4.383 4.550 0.083 0.000 0.286 72 Y C 2.587 178.401 175.900 -0.143 0.000 1.145 72 Y CA 1.586 59.612 58.100 -0.124 0.000 1.148 72 Y CB -0.391 37.899 38.460 -0.283 0.000 0.981 72 Y HN 0.356 nan 8.280 nan 0.000 0.507 73 H N -0.113 118.990 119.070 0.054 0.000 2.363 73 H HA -0.060 4.547 4.556 0.085 0.000 0.301 73 H C 2.387 177.660 175.328 -0.091 0.000 1.074 73 H CA 1.763 57.772 56.048 -0.065 0.000 1.354 73 H CB -0.378 29.428 29.762 0.074 0.000 1.397 73 H HN 0.390 nan 8.280 nan 0.000 0.516 74 L N 1.032 122.304 121.223 0.082 0.000 2.131 74 L HA -0.187 4.203 4.340 0.084 0.000 0.210 74 L C 2.808 179.658 176.870 -0.032 0.000 1.092 74 L CA 1.128 55.984 54.840 0.027 0.000 0.759 74 L CB -0.429 41.649 42.059 0.032 0.000 0.903 74 L HN 0.291 nan 8.230 nan 0.000 0.435 75 M N -1.453 118.110 119.600 -0.061 0.000 2.296 75 M HA -0.129 4.402 4.480 0.084 0.000 0.265 75 M C 1.926 178.151 176.300 -0.125 0.000 1.064 75 M CA 1.772 57.034 55.300 -0.063 0.000 1.109 75 M CB -0.416 32.169 32.600 -0.023 0.000 1.396 75 M HN 0.149 nan 8.290 nan 0.000 0.430 76 L N -0.076 120.999 121.223 -0.246 0.000 2.162 76 L HA 0.160 4.550 4.340 0.084 0.000 0.205 76 L C 1.338 178.141 176.870 -0.113 0.000 1.086 76 L CA 0.551 55.209 54.840 -0.302 0.000 0.778 76 L CB -0.063 41.755 42.059 -0.401 0.000 0.928 76 L HN 0.378 nan 8.230 nan 0.000 0.446 77 R N 0.018 120.483 120.500 -0.058 0.000 2.572 77 R HA 0.184 4.574 4.340 0.084 0.000 0.273 77 R C -2.427 173.887 176.300 0.023 0.000 1.168 77 R CA -0.903 55.194 56.100 -0.005 0.000 1.021 77 R CB 1.785 32.091 30.300 0.009 0.000 1.249 77 R HN -0.289 nan 8.270 nan 0.000 0.423 78 P HA 0.197 nan 4.420 nan 0.000 0.255 78 P C -0.114 177.159 177.300 -0.045 0.000 1.248 78 P CA 0.548 63.648 63.100 0.000 0.000 0.807 78 P CB 0.731 32.434 31.700 0.005 0.000 1.150 79 G N -0.206 108.559 108.800 -0.057 0.000 2.885 79 G HA2 0.102 4.112 3.960 0.084 0.000 0.685 79 G HA3 0.102 4.112 3.960 0.084 0.000 0.685 79 G C 0.585 175.430 174.900 -0.091 0.000 1.216 79 G CA -0.407 44.660 45.100 -0.055 0.000 0.790 79 G HN 0.160 nan 8.290 nan 0.000 0.631 80 A N 1.125 123.907 122.820 -0.062 0.000 1.897 80 A HA 0.199 4.569 4.320 0.084 0.000 0.215 80 A C 2.063 179.593 177.584 -0.090 0.000 1.181 80 A CA 2.339 54.332 52.037 -0.074 0.000 0.620 80 A CB -0.320 18.657 19.000 -0.038 0.000 0.821 80 A HN 0.828 nan 8.150 nan 0.000 0.443 81 E N -0.412 119.746 120.200 -0.069 0.000 2.106 81 E HA -0.141 4.259 4.350 0.084 0.000 0.192 81 E C 2.102 178.647 176.600 -0.092 0.000 0.984 81 E CA 1.233 57.591 56.400 -0.069 0.000 0.806 81 E CB -0.249 29.421 29.700 -0.049 0.000 0.750 81 E HN 0.631 nan 8.360 nan 0.000 0.458 82 R N 0.483 120.918 120.500 -0.107 0.000 2.073 82 R HA -0.107 4.283 4.340 0.084 0.000 0.234 82 R C 2.128 178.296 176.300 -0.219 0.000 1.134 82 R CA 1.406 57.425 56.100 -0.134 0.000 0.952 82 R CB -0.339 29.885 30.300 -0.126 0.000 0.850 82 R HN 0.180 nan 8.270 nan 0.000 0.433 83 I N 0.780 121.171 120.570 -0.298 0.000 2.286 83 I HA -0.233 3.987 4.170 0.084 0.000 0.248 83 I C 2.523 178.505 176.117 -0.226 0.000 1.115 83 I CA 1.207 62.255 61.300 -0.420 0.000 1.392 83 I CB -0.330 37.409 38.000 -0.435 0.000 1.065 83 I HN 0.360 nan 8.210 nan 0.000 0.418 84 A N 1.051 123.777 122.820 -0.156 0.000 1.902 84 A HA -0.268 4.102 4.320 0.084 0.000 0.217 84 A C 2.606 180.140 177.584 -0.083 0.000 1.181 84 A CA 2.440 54.409 52.037 -0.114 0.000 0.623 84 A CB -0.905 18.029 19.000 -0.111 0.000 0.818 84 A HN 0.381 nan 8.150 nan 0.000 0.443 85 K N -0.096 120.255 120.400 -0.081 0.000 2.209 85 K HA 0.124 4.494 4.320 0.084 0.000 0.204 85 K C 1.664 178.242 176.600 -0.037 0.000 1.048 85 K CA 1.587 57.843 56.287 -0.052 0.000 0.940 85 K CB -1.025 31.446 32.500 -0.049 0.000 0.729 85 K HN 0.539 nan 8.250 nan 0.000 0.451 86 L N -1.138 120.053 121.223 -0.054 0.000 2.591 86 L HA 0.256 4.646 4.340 0.084 0.000 0.228 86 L C 1.660 178.546 176.870 0.027 0.000 1.133 86 L CA 0.539 55.378 54.840 -0.003 0.000 0.880 86 L CB 0.320 42.378 42.059 -0.003 0.000 1.033 86 L HN 0.610 nan 8.230 nan 0.000 0.450 87 G N -0.835 107.965 108.800 0.001 0.000 2.192 87 G HA2 0.009 4.019 3.960 0.084 0.000 0.193 87 G HA3 0.009 4.019 3.960 0.084 0.000 0.193 87 G C 0.526 175.447 174.900 0.034 0.000 0.999 87 G CA -0.305 44.809 45.100 0.024 0.000 0.659 87 G HN 0.770 nan 8.290 nan 0.000 0.503 88 G N -1.549 107.257 108.800 0.009 0.000 2.663 88 G HA2 0.190 4.201 3.960 0.084 0.000 0.686 88 G HA3 0.190 4.201 3.960 0.084 0.000 0.686 88 G C 0.456 175.420 174.900 0.107 0.000 1.288 88 G CA 0.005 45.124 45.100 0.032 0.000 0.836 88 G HN 1.521 nan 8.290 nan 0.000 0.584 89 L N 0.131 121.417 121.223 0.105 0.000 2.093 89 L HA 0.112 4.502 4.340 0.084 0.000 0.208 89 L C 2.524 179.495 176.870 0.169 0.000 1.085 89 L CA 3.013 57.925 54.840 0.120 0.000 0.755 89 L CB -0.905 41.158 42.059 0.006 0.000 0.904 89 L HN 0.738 nan 8.230 nan 0.000 0.435 90 H N -1.727 117.435 119.070 0.153 0.000 2.321 90 H HA -0.113 4.493 4.556 0.082 0.000 0.300 90 H C 2.544 177.964 175.328 0.153 0.000 1.087 90 H CA 1.786 57.938 56.048 0.173 0.000 1.319 90 H CB -0.455 29.384 29.762 0.128 0.000 1.379 90 H HN 0.386 nan 8.280 nan 0.000 0.501 91 S N -0.480 115.381 115.700 0.268 0.000 2.368 91 S HA -0.166 4.354 4.470 0.084 0.000 0.224 91 S C 2.009 176.732 174.600 0.206 0.000 1.029 91 S CA 0.921 59.234 58.200 0.189 0.000 0.988 91 S CB -0.458 62.828 63.200 0.145 0.000 0.838 91 S HN 0.361 nan 8.310 nan 0.000 0.462 92 F N 3.057 123.045 119.950 0.064 0.000 2.095 92 F HA -0.064 4.518 4.527 0.092 0.000 0.298 92 F C 2.102 177.929 175.800 0.046 0.000 1.104 92 F CA 2.179 60.204 58.000 0.042 0.000 1.232 92 F CB -0.455 38.561 39.000 0.027 0.000 0.987 92 F HN 0.384 nan 8.300 nan 0.000 0.475 93 M N -1.665 117.981 119.600 0.076 0.000 2.441 93 M HA 0.428 4.959 4.480 0.084 0.000 0.244 93 M C 1.295 177.622 176.300 0.046 0.000 1.122 93 M CA 0.952 56.229 55.300 -0.038 0.000 1.041 93 M CB 0.213 32.828 32.600 0.024 0.000 1.438 93 M HN 0.195 nan 8.290 nan 0.000 0.484 94 G N 1.447 110.313 108.800 0.110 0.000 2.171 94 G HA2 -0.237 3.773 3.960 0.084 0.000 0.238 94 G HA3 -0.237 3.773 3.960 0.084 0.000 0.238 94 G C -0.772 174.245 174.900 0.196 0.000 1.039 94 G CA 0.124 45.294 45.100 0.117 0.000 0.759 94 G HN 0.749 nan 8.290 nan 0.000 0.501 95 W N 1.842 123.171 121.300 0.048 0.000 2.362 95 W HA 0.514 5.213 4.660 0.066 0.000 0.316 95 W C 0.077 176.695 176.519 0.166 0.000 1.024 95 W CA -0.114 57.269 57.345 0.062 0.000 1.270 95 W CB 1.236 30.704 29.460 0.012 0.000 1.273 95 W HN 0.280 nan 8.180 nan 0.000 0.424 96 D N 3.550 123.779 120.400 -0.286 0.000 2.369 96 D HA 0.094 4.785 4.640 0.084 0.000 0.211 96 D C 0.433 176.591 176.300 -0.237 0.000 1.077 96 D CA 0.051 53.972 54.000 -0.133 0.000 0.842 96 D CB 0.341 41.058 40.800 -0.138 0.000 0.947 96 D HN 0.205 nan 8.370 nan 0.000 0.509 97 R N 0.186 120.309 120.500 -0.627 0.000 2.527 97 R HA 0.485 4.875 4.340 0.084 0.000 0.243 97 R C -2.393 174.074 176.300 0.279 0.000 1.206 97 R CA -1.919 54.009 56.100 -0.288 0.000 1.134 97 R CB 0.073 30.030 30.300 -0.571 0.000 1.347 97 R HN -0.032 nan 8.270 nan 0.000 0.580 98 P HA 0.030 nan 4.420 nan 0.000 0.267 98 P C -0.828 176.747 177.300 0.459 0.000 1.200 98 P CA 0.699 64.024 63.100 0.374 0.000 0.772 98 P CB 0.444 32.269 31.700 0.209 0.000 0.855 99 I N 2.568 123.324 120.570 0.309 0.000 2.498 99 I HA 0.363 4.583 4.170 0.084 0.000 0.290 99 I C -0.281 175.837 176.117 0.003 0.000 1.032 99 I CA -0.921 60.419 61.300 0.066 0.000 1.073 99 I CB 1.845 39.776 38.000 -0.115 0.000 1.251 99 I HN 0.172 nan 8.210 nan 0.000 0.426 100 L N 6.431 127.600 121.223 -0.091 0.000 2.295 100 L HA 0.597 4.987 4.340 0.084 0.000 0.285 100 L C -0.088 176.727 176.870 -0.091 0.000 1.035 100 L CA -0.036 54.721 54.840 -0.137 0.000 0.806 100 L CB 1.485 43.389 42.059 -0.258 0.000 1.214 100 L HN 0.706 nan 8.230 nan 0.000 0.426 101 T N -0.111 114.414 114.554 -0.048 0.000 2.797 101 T HA 0.448 4.848 4.350 0.084 0.000 0.279 101 T C -0.484 174.233 174.700 0.028 0.000 0.991 101 T CA -1.006 61.092 62.100 -0.003 0.000 0.979 101 T CB 1.250 70.134 68.868 0.026 0.000 0.943 101 T HN 0.621 nan 8.240 nan 0.000 0.444 102 D N 1.711 122.144 120.400 0.054 0.000 2.371 102 D HA 0.157 4.847 4.640 0.084 0.000 0.242 102 D C 1.245 177.613 176.300 0.113 0.000 1.218 102 D CA -0.576 53.472 54.000 0.081 0.000 0.945 102 D CB 0.594 41.439 40.800 0.075 0.000 1.137 102 D HN 0.509 nan 8.370 nan 0.000 0.464 103 S N -1.669 114.116 115.700 0.142 0.000 2.501 103 S HA 0.297 4.817 4.470 0.084 0.000 0.220 103 S C 1.732 176.529 174.600 0.328 0.000 0.997 103 S CA 0.327 58.667 58.200 0.233 0.000 0.919 103 S CB -0.236 63.139 63.200 0.293 0.000 0.778 103 S HN 1.240 nan 8.310 nan 0.000 0.523 104 G N 0.486 109.442 108.800 0.259 0.000 2.194 104 G HA2 -0.187 3.824 3.960 0.084 0.000 0.236 104 G HA3 -0.187 3.824 3.960 0.084 0.000 0.236 104 G C 0.954 175.959 174.900 0.175 0.000 0.987 104 G CA 0.067 45.322 45.100 0.258 0.000 0.635 104 G HN 0.956 nan 8.290 nan 0.000 0.520 105 G N -0.123 108.715 108.800 0.063 0.000 2.509 105 G HA2 0.175 4.185 3.960 0.084 0.000 0.218 105 G HA3 0.175 4.185 3.960 0.084 0.000 0.218 105 G C 1.345 176.216 174.900 -0.048 0.000 1.124 105 G CA 1.464 46.475 45.100 -0.149 0.000 0.776 105 G HN 0.601 nan 8.290 nan 0.000 0.547 106 F N 1.034 120.905 119.950 -0.133 0.000 2.187 106 F HA 0.076 4.653 4.527 0.084 0.000 0.295 106 F C 2.743 178.419 175.800 -0.206 0.000 1.091 106 F CA 1.215 59.132 58.000 -0.139 0.000 1.308 106 F CB 0.059 38.999 39.000 -0.100 0.000 1.030 106 F HN 0.121 nan 8.300 nan 0.000 0.487 107 Q N -0.194 119.460 119.800 -0.243 0.000 2.224 107 Q HA -0.095 4.295 4.340 0.084 0.000 0.203 107 Q C 2.278 177.862 176.000 -0.693 0.000 0.970 107 Q CA 1.341 56.771 55.803 -0.622 0.000 0.865 107 Q CB -0.620 27.523 28.738 -0.990 0.000 0.922 107 Q HN 0.318 nan 8.270 nan 0.000 0.445 108 V N 0.149 119.777 119.914 -0.477 0.000 2.343 108 V HA -0.227 3.944 4.120 0.084 0.000 0.247 108 V C 1.599 177.512 176.094 -0.302 0.000 1.051 108 V CA 1.678 63.755 62.300 -0.373 0.000 1.036 108 V CB -1.050 30.682 31.823 -0.151 0.000 0.654 108 V HN 0.544 nan 8.190 nan 0.000 0.451 118 S N -1.108 114.723 115.700 0.219 0.000 2.688 118 S HA 0.648 5.168 4.470 0.084 0.000 0.275 118 S C 0.614 175.408 174.600 0.324 0.000 1.175 118 S CA 0.194 58.516 58.200 0.202 0.000 0.818 118 S CB 1.460 64.753 63.200 0.154 0.000 1.157 118 S HN 1.102 nan 8.310 nan 0.000 0.482 119 E N 0.567 120.930 120.200 0.272 0.000 2.204 119 E HA -0.082 4.318 4.350 0.084 0.000 0.195 119 E C 1.415 178.322 176.600 0.513 0.000 0.990 119 E CA 1.542 58.172 56.400 0.383 0.000 0.821 119 E CB -0.142 29.695 29.700 0.228 0.000 0.750 119 E HN 0.544 nan 8.360 nan 0.000 0.477 120 E N -0.470 119.900 120.200 0.283 0.000 2.158 120 E HA 0.129 4.529 4.350 0.084 0.000 0.191 120 E C 1.068 177.669 176.600 0.003 0.000 0.982 120 E CA 1.044 57.522 56.400 0.131 0.000 0.823 120 E CB 0.239 29.980 29.700 0.069 0.000 0.766 120 E HN 0.291 nan 8.360 nan 0.000 0.468 121 G N -0.543 108.332 108.800 0.125 0.000 2.403 121 G HA2 0.135 4.145 3.960 0.084 0.000 0.223 121 G HA3 0.135 4.145 3.960 0.084 0.000 0.223 121 G C -1.637 173.387 174.900 0.207 0.000 1.287 121 G CA -0.184 44.926 45.100 0.016 0.000 0.982 121 G HN 0.145 nan 8.290 nan 0.000 0.471 122 V N 0.729 120.762 119.914 0.198 0.000 2.841 122 V HA 0.842 5.013 4.120 0.084 0.000 0.310 122 V C -0.129 176.132 176.094 0.280 0.000 1.090 122 V CA 0.603 63.065 62.300 0.270 0.000 0.930 122 V CB 1.973 33.999 31.823 0.338 0.000 1.014 122 V HN 1.845 nan 8.190 nan 0.000 0.425 123 T N 3.545 118.246 114.554 0.244 0.000 2.888 123 T HA 0.899 5.299 4.350 0.084 0.000 0.284 123 T C -0.746 174.137 174.700 0.305 0.000 1.017 123 T CA -0.473 61.738 62.100 0.185 0.000 1.022 123 T CB 1.597 70.492 68.868 0.045 0.000 1.013 123 T HN 1.268 nan 8.240 nan 0.000 0.465 124 F N -2.571 117.442 119.950 0.106 0.000 2.745 124 F HA 0.894 5.471 4.527 0.083 0.000 0.316 124 F C -0.742 175.133 175.800 0.125 0.000 1.155 124 F CA -1.579 56.488 58.000 0.112 0.000 0.937 124 F CB 0.524 39.607 39.000 0.138 0.000 1.361 124 F HN 0.837 nan 8.300 nan 0.000 0.472 125 K N 0.687 121.225 120.400 0.230 0.000 2.164 125 K HA 0.751 5.121 4.320 0.084 0.000 0.258 125 K C 0.065 176.818 176.600 0.254 0.000 0.951 125 K CA -0.442 55.924 56.287 0.132 0.000 0.844 125 K CB 1.203 33.764 32.500 0.103 0.000 1.099 125 K HN 1.122 nan 8.250 nan 0.000 0.435 134 M N 2.194 121.674 119.600 -0.199 0.000 2.457 134 M HA 0.553 5.083 4.480 0.084 0.000 0.300 134 M C -1.997 174.365 176.300 0.105 0.000 1.141 134 M CA -0.884 54.404 55.300 -0.019 0.000 0.901 134 M CB 1.921 34.480 32.600 -0.069 0.000 1.687 134 M HN 0.490 nan 8.290 nan 0.000 0.449 135 L N 2.989 124.283 121.223 0.119 0.000 2.422 135 L HA 0.765 5.155 4.340 0.084 0.000 0.264 135 L C -0.695 175.902 176.870 -0.454 0.000 0.984 135 L CA 0.050 54.797 54.840 -0.156 0.000 0.819 135 L CB 2.206 44.228 42.059 -0.061 0.000 1.330 135 L HN 0.932 nan 8.230 nan 0.000 0.410 136 S N 2.354 117.565 115.700 -0.815 0.000 2.656 136 S HA 0.692 5.212 4.470 0.084 0.000 0.273 136 S C -2.654 171.382 174.600 -0.941 0.000 1.168 136 S CA -1.063 56.636 58.200 -0.836 0.000 0.817 136 S CB 1.758 64.704 63.200 -0.423 0.000 1.146 136 S HN 0.308 nan 8.310 nan 0.000 0.475 137 P HA -0.084 nan 4.420 nan 0.000 0.215 137 P C 0.953 178.140 177.300 -0.188 0.000 1.157 137 P CA 1.624 64.574 63.100 -0.250 0.000 0.874 137 P CB -0.029 31.579 31.700 -0.154 0.000 0.790 138 E N -1.046 119.042 120.200 -0.186 0.000 2.051 138 E HA -0.188 4.212 4.350 0.084 0.000 0.192 138 E C 2.161 178.690 176.600 -0.119 0.000 0.991 138 E CA 1.078 57.413 56.400 -0.108 0.000 0.799 138 E CB -0.619 29.028 29.700 -0.089 0.000 0.748 138 E HN -0.006 nan 8.360 nan 0.000 0.449 139 R N 0.411 120.804 120.500 -0.179 0.000 2.075 139 R HA 0.015 4.406 4.340 0.084 0.000 0.232 139 R C 2.311 178.525 176.300 -0.144 0.000 1.126 139 R CA 1.668 57.679 56.100 -0.150 0.000 0.963 139 R CB -0.929 29.268 30.300 -0.171 0.000 0.858 139 R HN 0.154 nan 8.270 nan 0.000 0.435 140 S N -0.232 115.317 115.700 -0.251 0.000 2.356 140 S HA -0.052 4.468 4.470 0.084 0.000 0.223 140 S C 1.819 176.414 174.600 -0.008 0.000 1.032 140 S CA 1.276 59.384 58.200 -0.153 0.000 1.005 140 S CB -0.233 62.825 63.200 -0.237 0.000 0.867 140 S HN 0.303 nan 8.310 nan 0.000 0.449 141 I N 1.959 122.537 120.570 0.014 0.000 2.286 141 I HA -0.096 4.124 4.170 0.084 0.000 0.248 141 I C 2.524 178.695 176.117 0.090 0.000 1.115 141 I CA 1.374 62.733 61.300 0.098 0.000 1.392 141 I CB -1.548 36.529 38.000 0.128 0.000 1.065 141 I HN 0.542 nan 8.210 nan 0.000 0.418 142 E N 1.161 121.386 120.200 0.040 0.000 2.077 142 E HA -0.202 4.198 4.350 0.084 0.000 0.193 142 E C 2.410 179.062 176.600 0.086 0.000 0.989 142 E CA 1.133 57.571 56.400 0.063 0.000 0.800 142 E CB 0.002 29.710 29.700 0.014 0.000 0.746 142 E HN 0.433 nan 8.360 nan 0.000 0.452 143 I N 0.925 121.519 120.570 0.040 0.000 2.226 143 I HA -0.293 3.927 4.170 0.084 0.000 0.245 143 I C 2.580 178.724 176.117 0.045 0.000 1.100 143 I CA 1.205 62.522 61.300 0.029 0.000 1.374 143 I CB -0.213 37.796 38.000 0.016 0.000 1.057 143 I HN 0.182 nan 8.210 nan 0.000 0.413 144 Q N -0.498 119.348 119.800 0.077 0.000 2.124 144 Q HA -0.281 4.109 4.340 0.084 0.000 0.202 144 Q C 2.118 178.183 176.000 0.107 0.000 0.977 144 Q CA 1.755 57.614 55.803 0.092 0.000 0.850 144 Q CB -0.332 28.478 28.738 0.119 0.000 0.901 144 Q HN 0.566 nan 8.270 nan 0.000 0.429 145 H N 0.895 119.984 119.070 0.031 0.000 2.321 145 H HA -0.084 4.522 4.556 0.085 0.000 0.300 145 H C 1.798 177.129 175.328 0.005 0.000 1.087 145 H CA 1.549 57.601 56.048 0.007 0.000 1.319 145 H CB -0.231 29.516 29.762 -0.025 0.000 1.379 145 H HN 0.116 nan 8.280 nan 0.000 0.501 146 L N -0.183 120.948 121.223 -0.154 0.000 2.079 146 L HA -0.185 4.205 4.340 0.084 0.000 0.210 146 L C 2.459 179.230 176.870 -0.163 0.000 1.081 146 L CA 1.132 55.848 54.840 -0.207 0.000 0.752 146 L CB -0.376 41.635 42.059 -0.080 0.000 0.896 146 L HN 0.331 nan 8.230 nan 0.000 0.433 147 L N -0.622 120.551 121.223 -0.084 0.000 2.291 147 L HA 0.017 4.407 4.340 0.084 0.000 0.214 147 L C 1.477 178.348 176.870 0.001 0.000 1.120 147 L CA 0.731 55.545 54.840 -0.043 0.000 0.799 147 L CB -0.633 41.418 42.059 -0.013 0.000 0.925 147 L HN 0.519 nan 8.230 nan 0.000 0.446 148 G N 0.367 109.158 108.800 -0.015 0.000 2.149 148 G HA2 -0.277 3.733 3.960 0.084 0.000 0.235 148 G HA3 -0.277 3.733 3.960 0.084 0.000 0.235 148 G C 0.329 175.348 174.900 0.199 0.000 1.018 148 G CA 0.353 45.492 45.100 0.065 0.000 0.728 148 G HN 0.315 nan 8.290 nan 0.000 0.508 149 S N -0.458 115.330 115.700 0.147 0.000 2.558 149 S HA 0.246 4.766 4.470 0.084 0.000 0.288 149 S C 1.452 176.164 174.600 0.187 0.000 1.318 149 S CA 0.769 59.063 58.200 0.157 0.000 1.056 149 S CB 0.418 63.677 63.200 0.099 0.000 0.853 149 S HN 0.310 nan 8.310 nan 0.000 0.505 150 D N 3.036 123.552 120.400 0.193 0.000 2.201 150 D HA 0.121 4.811 4.640 0.084 0.000 0.209 150 D C 0.244 176.604 176.300 0.101 0.000 0.961 150 D CA 0.973 55.071 54.000 0.162 0.000 0.861 150 D CB 0.179 41.086 40.800 0.178 0.000 0.997 150 D HN 0.509 nan 8.370 nan 0.000 0.486 151 I N 2.095 122.664 120.570 -0.002 0.000 2.382 151 I HA 0.159 4.380 4.170 0.084 0.000 0.285 151 I C -0.531 175.503 176.117 -0.138 0.000 1.007 151 I CA -0.614 60.581 61.300 -0.175 0.000 1.142 151 I CB 2.399 40.115 38.000 -0.472 0.000 1.289 151 I HN -0.355 nan 8.210 nan 0.000 0.453 152 V N 6.805 126.683 119.914 -0.061 0.000 2.439 152 V HA 0.396 4.566 4.120 0.084 0.000 0.282 152 V C 0.367 176.438 176.094 -0.038 0.000 1.039 152 V CA -0.533 61.785 62.300 0.031 0.000 0.913 152 V CB 1.519 33.474 31.823 0.219 0.000 0.983 152 V HN 0.578 nan 8.190 nan 0.000 0.460 153 M N 3.663 123.270 119.600 0.011 0.000 2.264 153 M HA 0.523 5.053 4.480 0.084 0.000 0.352 153 M C 0.339 176.681 176.300 0.070 0.000 1.173 153 M CA -0.489 54.827 55.300 0.027 0.000 1.075 153 M CB 1.259 33.891 32.600 0.052 0.000 1.621 153 M HN 0.722 nan 8.290 nan 0.000 0.457 154 A N 3.140 125.976 122.820 0.027 0.000 2.520 154 A HA 0.208 4.579 4.320 0.084 0.000 0.235 154 A C -0.526 177.160 177.584 0.170 0.000 1.065 154 A CA -0.093 51.996 52.037 0.088 0.000 0.764 154 A CB -0.089 18.889 19.000 -0.037 0.000 1.002 154 A HN 0.752 nan 8.150 nan 0.000 0.502 155 F N 2.793 122.794 119.950 0.085 0.000 2.420 155 F HA 0.422 4.999 4.527 0.083 0.000 0.352 155 F C 0.236 176.206 175.800 0.285 0.000 1.108 155 F CA -0.253 57.817 58.000 0.116 0.000 1.162 155 F CB 0.643 39.652 39.000 0.014 0.000 1.118 155 F HN 0.770 nan 8.300 nan 0.000 0.510 156 D N 3.565 123.827 120.400 -0.230 0.000 2.585 156 D HA 0.260 4.951 4.640 0.084 0.000 0.254 156 D C -1.520 174.670 176.300 -0.184 0.000 1.067 156 D CA -0.813 53.152 54.000 -0.059 0.000 1.090 156 D CB 1.263 42.022 40.800 -0.068 0.000 1.408 156 D HN 0.590 nan 8.370 nan 0.000 0.554 157 E N 0.009 120.102 120.200 -0.178 0.000 2.165 157 E HA 0.479 4.879 4.350 0.084 0.000 0.266 157 E C -1.352 175.166 176.600 -0.137 0.000 0.889 157 E CA -0.867 55.412 56.400 -0.201 0.000 0.756 157 E CB 1.632 31.109 29.700 -0.370 0.000 1.131 157 E HN 0.262 nan 8.360 nan 0.000 0.411 158 V N 3.667 123.523 119.914 -0.097 0.000 2.350 158 V HA 0.403 4.573 4.120 0.084 0.000 0.276 158 V C 0.807 176.879 176.094 -0.036 0.000 1.028 158 V CA -0.330 61.944 62.300 -0.043 0.000 0.860 158 V CB 0.811 32.645 31.823 0.018 0.000 0.990 158 V HN 0.919 nan 8.190 nan 0.000 0.453 159 T N 5.882 120.428 114.554 -0.013 0.000 2.834 159 T HA 0.494 4.894 4.350 0.084 0.000 0.298 159 T C -1.849 172.870 174.700 0.032 0.000 0.966 159 T CA -1.034 61.069 62.100 0.005 0.000 1.141 159 T CB -0.124 68.764 68.868 0.033 0.000 0.905 159 T HN 0.478 nan 8.240 nan 0.000 0.535 160 P HA 0.222 nan 4.420 nan 0.000 0.271 160 P C -1.125 176.226 177.300 0.085 0.000 1.216 160 P CA -0.277 62.845 63.100 0.037 0.000 0.776 160 P CB 0.252 31.950 31.700 -0.003 0.000 0.881 161 Y N 4.351 124.650 120.300 -0.002 0.000 2.323 161 Y HA 0.430 5.030 4.550 0.084 0.000 0.331 161 Y C -1.877 174.022 175.900 -0.001 0.000 1.092 161 Y CA -2.105 55.994 58.100 -0.003 0.000 1.150 161 Y CB 0.451 38.904 38.460 -0.010 0.000 1.200 161 Y HN 0.366 nan 8.280 nan 0.000 0.472 162 P HA 0.541 nan 4.420 nan 0.000 0.276 162 P C -1.775 175.357 177.300 -0.280 0.000 1.244 162 P CA -0.572 61.977 63.100 -0.917 0.000 0.801 162 P CB 1.496 32.693 31.700 -0.838 0.000 1.006 163 A N 0.754 123.496 122.820 -0.129 0.000 2.371 163 A HA 0.623 4.993 4.320 0.084 0.000 0.311 163 A C 0.278 177.954 177.584 0.154 0.000 1.068 163 A CA -0.530 51.533 52.037 0.043 0.000 0.744 163 A CB 0.822 19.894 19.000 0.120 0.000 1.239 163 A HN 0.653 nan 8.150 nan 0.000 0.435 164 T N 0.517 115.116 114.554 0.076 0.000 2.856 164 T HA 0.344 4.744 4.350 0.084 0.000 0.306 164 T C -1.803 172.880 174.700 -0.028 0.000 1.062 164 T CA -0.888 61.240 62.100 0.048 0.000 1.083 164 T CB 0.376 69.232 68.868 -0.021 0.000 0.984 164 T HN 0.287 nan 8.240 nan 0.000 0.542 165 P HA -0.131 nan 4.420 nan 0.000 0.216 165 P C 1.916 179.038 177.300 -0.297 0.000 1.150 165 P CA 1.193 63.906 63.100 -0.644 0.000 0.843 165 P CB -0.071 31.250 31.700 -0.630 0.000 0.787 166 S N -1.080 114.515 115.700 -0.175 0.000 2.371 166 S HA -0.175 4.345 4.470 0.084 0.000 0.224 166 S C 2.282 176.834 174.600 -0.079 0.000 1.029 166 S CA 1.622 59.753 58.200 -0.115 0.000 0.978 166 S CB -0.689 62.460 63.200 -0.085 0.000 0.833 166 S HN 0.006 nan 8.310 nan 0.000 0.466 167 R N 0.857 121.325 120.500 -0.054 0.000 2.073 167 R HA 0.372 4.762 4.340 0.084 0.000 0.229 167 R C 2.623 178.915 176.300 -0.014 0.000 1.120 167 R CA 1.750 57.831 56.100 -0.032 0.000 0.967 167 R CB -1.759 28.530 30.300 -0.017 0.000 0.862 167 R HN 0.654 nan 8.270 nan 0.000 0.436 168 A N 0.934 123.770 122.820 0.026 0.000 1.902 168 A HA 0.196 4.566 4.320 0.084 0.000 0.217 168 A C 2.809 180.408 177.584 0.025 0.000 1.181 168 A CA 2.066 54.154 52.037 0.086 0.000 0.623 168 A CB -0.862 18.306 19.000 0.280 0.000 0.818 168 A HN 0.933 nan 8.150 nan 0.000 0.443 169 A N -0.648 122.155 122.820 -0.029 0.000 1.873 169 A HA -0.053 4.318 4.320 0.084 0.000 0.215 169 A C 2.459 180.010 177.584 -0.055 0.000 1.186 169 A CA 2.040 54.050 52.037 -0.045 0.000 0.616 169 A CB -0.920 18.034 19.000 -0.077 0.000 0.823 169 A HN 0.452 nan 8.150 nan 0.000 0.442 170 S N 0.091 115.753 115.700 -0.064 0.000 2.359 170 S HA -0.133 4.387 4.470 0.084 0.000 0.224 170 S C 2.307 176.838 174.600 -0.114 0.000 1.035 170 S CA 1.579 59.731 58.200 -0.080 0.000 1.018 170 S CB -0.346 62.811 63.200 -0.072 0.000 0.876 170 S HN 0.611 nan 8.310 nan 0.000 0.448 171 S N 1.182 116.818 115.700 -0.107 0.000 2.383 171 S HA 0.007 4.528 4.470 0.084 0.000 0.227 171 S C 1.877 176.384 174.600 -0.154 0.000 1.026 171 S CA 0.921 59.030 58.200 -0.151 0.000 0.981 171 S CB -0.295 62.838 63.200 -0.111 0.000 0.818 171 S HN 0.405 nan 8.310 nan 0.000 0.472 172 M N 1.727 121.276 119.600 -0.085 0.000 2.086 172 M HA -0.103 4.427 4.480 0.084 0.000 0.261 172 M C 1.726 177.975 176.300 -0.085 0.000 1.067 172 M CA 1.714 56.975 55.300 -0.064 0.000 1.116 172 M CB -0.805 31.788 32.600 -0.012 0.000 1.348 172 M HN 0.266 nan 8.290 nan 0.000 0.407 173 E N -0.242 119.907 120.200 -0.086 0.000 2.085 173 E HA -0.253 4.148 4.350 0.084 0.000 0.194 173 E C 2.130 178.650 176.600 -0.134 0.000 0.994 173 E CA 1.639 57.990 56.400 -0.080 0.000 0.801 173 E CB -0.290 29.370 29.700 -0.067 0.000 0.743 173 E HN 0.513 nan 8.360 nan 0.000 0.453 174 R N 0.629 120.986 120.500 -0.237 0.000 2.073 174 R HA -0.123 4.267 4.340 0.084 0.000 0.234 174 R C 2.272 178.255 176.300 -0.529 0.000 1.134 174 R CA 1.795 57.620 56.100 -0.457 0.000 0.952 174 R CB -0.153 29.757 30.300 -0.650 0.000 0.850 174 R HN -0.014 nan 8.270 nan 0.000 0.433 175 S N 0.380 115.859 115.700 -0.368 0.000 2.400 175 S HA -0.114 4.406 4.470 0.084 0.000 0.232 175 S C 1.818 176.417 174.600 -0.001 0.000 1.025 175 S CA 1.353 59.447 58.200 -0.178 0.000 0.993 175 S CB -0.061 63.069 63.200 -0.118 0.000 0.808 175 S HN 0.320 nan 8.310 nan 0.000 0.478 176 M N 0.928 120.521 119.600 -0.013 0.000 2.200 176 M HA 0.075 4.605 4.480 0.084 0.000 0.265 176 M C 2.014 178.387 176.300 0.123 0.000 1.066 176 M CA 1.141 56.483 55.300 0.070 0.000 1.127 176 M CB -1.120 31.513 32.600 0.054 0.000 1.379 176 M HN 0.244 nan 8.290 nan 0.000 0.420 177 R N -0.876 119.676 120.500 0.088 0.000 2.081 177 R HA -0.178 4.212 4.340 0.084 0.000 0.235 177 R C 2.070 178.585 176.300 0.359 0.000 1.131 177 R CA 1.400 57.604 56.100 0.173 0.000 0.960 177 R CB -0.259 30.118 30.300 0.129 0.000 0.856 177 R HN 0.367 nan 8.270 nan 0.000 0.436 178 W N 0.463 121.822 121.300 0.097 0.000 2.425 178 W HA 0.058 4.768 4.660 0.083 0.000 0.277 178 W C 2.319 178.928 176.519 0.150 0.000 1.231 178 W CA 0.456 57.881 57.345 0.134 0.000 1.248 178 W CB -0.802 28.741 29.460 0.138 0.000 1.117 178 W HN 0.178 nan 8.180 nan 0.000 0.568 179 A N 0.337 123.374 122.820 0.361 0.000 1.902 179 A HA -0.217 4.154 4.320 0.084 0.000 0.217 179 A C 2.048 179.859 177.584 0.379 0.000 1.181 179 A CA 2.235 54.474 52.037 0.337 0.000 0.623 179 A CB -0.621 18.544 19.000 0.275 0.000 0.818 179 A HN 0.109 nan 8.150 nan 0.000 0.443 180 K N 0.187 120.757 120.400 0.282 0.000 2.057 180 K HA -0.065 4.305 4.320 0.084 0.000 0.206 180 K C 2.059 178.759 176.600 0.167 0.000 1.050 180 K CA 1.654 58.056 56.287 0.191 0.000 0.935 180 K CB -0.374 32.214 32.500 0.146 0.000 0.715 180 K HN 0.437 nan 8.250 nan 0.000 0.439 181 R N -0.100 120.513 120.500 0.190 0.000 2.105 181 R HA -0.049 4.341 4.340 0.084 0.000 0.239 181 R C 2.404 178.785 176.300 0.135 0.000 1.135 181 R CA 1.636 57.820 56.100 0.140 0.000 0.967 181 R CB -0.323 30.053 30.300 0.128 0.000 0.861 181 R HN 0.158 nan 8.270 nan 0.000 0.442 182 S N 0.401 116.216 115.700 0.190 0.000 2.356 182 S HA -0.181 4.339 4.470 0.084 0.000 0.223 182 S C 1.803 176.528 174.600 0.209 0.000 1.032 182 S CA 1.470 59.791 58.200 0.201 0.000 1.005 182 S CB -0.221 63.127 63.200 0.246 0.000 0.867 182 S HN 0.226 nan 8.310 nan 0.000 0.449 183 R N 1.807 122.428 120.500 0.201 0.000 2.083 183 R HA -0.117 4.273 4.340 0.084 0.000 0.237 183 R C 1.465 177.832 176.300 0.112 0.000 1.137 183 R CA 2.011 58.162 56.100 0.086 0.000 0.951 183 R CB -0.731 29.520 30.300 -0.082 0.000 0.851 183 R HN 0.238 nan 8.270 nan 0.000 0.434 184 D N -0.211 120.246 120.400 0.094 0.000 2.149 184 D HA -0.035 4.655 4.640 0.084 0.000 0.201 184 D C 1.702 178.051 176.300 0.081 0.000 0.972 184 D CA 1.526 55.570 54.000 0.073 0.000 0.835 184 D CB -0.356 40.477 40.800 0.054 0.000 0.966 184 D HN 0.394 nan 8.370 nan 0.000 0.476 185 A N 0.478 123.356 122.820 0.096 0.000 1.877 185 A HA -0.165 4.205 4.320 0.084 0.000 0.216 185 A C 2.118 179.757 177.584 0.091 0.000 1.186 185 A CA 0.989 53.068 52.037 0.069 0.000 0.620 185 A CB -1.051 17.986 19.000 0.062 0.000 0.822 185 A HN 0.246 nan 8.150 nan 0.000 0.443 186 F N 1.309 121.259 119.950 0.001 0.000 2.095 186 F HA -0.215 4.362 4.527 0.083 0.000 0.298 186 F C 1.744 177.529 175.800 -0.026 0.000 1.104 186 F CA 2.268 60.265 58.000 -0.005 0.000 1.232 186 F CB -0.174 38.845 39.000 0.033 0.000 0.987 186 F HN 0.239 nan 8.300 nan 0.000 0.475 187 D N -0.386 120.143 120.400 0.216 0.000 2.178 187 D HA -0.140 4.551 4.640 0.084 0.000 0.202 187 D C 2.452 178.737 176.300 -0.025 0.000 0.974 187 D CA 1.521 55.579 54.000 0.097 0.000 0.841 187 D CB -0.502 40.363 40.800 0.109 0.000 0.953 187 D HN 0.421 nan 8.370 nan 0.000 0.478 188 S N -0.514 115.168 115.700 -0.031 0.000 2.561 188 S HA -0.038 4.483 4.470 0.084 0.000 0.225 188 S C 1.142 175.677 174.600 -0.110 0.000 0.977 188 S CA -0.118 58.049 58.200 -0.055 0.000 0.926 188 S CB 0.102 63.281 63.200 -0.034 0.000 0.769 188 S HN 0.018 nan 8.310 nan 0.000 0.533 189 R N 1.113 121.504 120.500 -0.182 0.000 2.280 189 R HA 0.437 4.827 4.340 0.084 0.000 0.326 189 R C 1.413 177.552 176.300 -0.269 0.000 1.080 189 R CA 0.310 56.250 56.100 -0.266 0.000 1.002 189 R CB 0.332 30.390 30.300 -0.403 0.000 1.136 189 R HN 0.332 nan 8.270 nan 0.000 0.509 190 K N 2.425 122.719 120.400 -0.177 0.000 2.032 190 K HA -0.227 4.143 4.320 0.084 0.000 0.209 190 K C 2.003 178.518 176.600 -0.141 0.000 1.048 190 K CA 2.176 58.384 56.287 -0.132 0.000 0.927 190 K CB -1.094 31.358 32.500 -0.080 0.000 0.712 190 K HN 0.756 nan 8.250 nan 0.000 0.441 191 E N 0.617 120.737 120.200 -0.133 0.000 2.077 191 E HA -0.278 4.123 4.350 0.084 0.000 0.193 191 E C 2.085 178.624 176.600 -0.102 0.000 0.989 191 E CA 1.729 58.086 56.400 -0.072 0.000 0.800 191 E CB -0.641 29.066 29.700 0.011 0.000 0.746 191 E HN 0.839 nan 8.360 nan 0.000 0.452 192 Q N -0.833 118.827 119.800 -0.233 0.000 2.046 192 Q HA 0.008 4.398 4.340 0.084 0.000 0.200 192 Q C 2.521 178.200 176.000 -0.536 0.000 0.975 192 Q CA 1.393 56.993 55.803 -0.338 0.000 0.836 192 Q CB -0.282 28.157 28.738 -0.497 0.000 0.896 192 Q HN 0.554 nan 8.270 nan 0.000 0.428 193 A N 0.659 123.128 122.820 -0.585 0.000 1.972 193 A HA -0.208 4.163 4.320 0.084 0.000 0.219 193 A C 1.654 179.205 177.584 -0.055 0.000 1.169 193 A CA 1.644 53.459 52.037 -0.370 0.000 0.635 193 A CB -0.385 18.503 19.000 -0.186 0.000 0.810 193 A HN 0.510 nan 8.150 nan 0.000 0.446 194 E N -0.763 119.400 120.200 -0.063 0.000 2.299 194 E HA -0.019 4.381 4.350 0.084 0.000 0.193 194 E C 0.896 177.522 176.600 0.043 0.000 0.998 194 E CA 0.598 57.002 56.400 0.008 0.000 0.851 194 E CB 0.064 29.760 29.700 -0.006 0.000 0.795 194 E HN 0.588 nan 8.360 nan 0.000 0.492 195 N N -0.627 118.093 118.700 0.034 0.000 2.193 195 N HA 0.147 4.937 4.740 0.084 0.000 0.210 195 N C -0.143 175.438 175.510 0.118 0.000 1.215 195 N CA 0.135 53.225 53.050 0.066 0.000 0.901 195 N CB 1.389 39.899 38.487 0.038 0.000 1.060 195 N HN -0.047 nan 8.380 nan 0.000 0.508 196 A N 0.486 123.401 122.820 0.158 0.000 2.344 196 A HA 0.886 5.256 4.320 0.084 0.000 0.307 196 A C -0.821 176.996 177.584 0.388 0.000 1.151 196 A CA -0.474 51.718 52.037 0.258 0.000 0.842 196 A CB 1.357 20.526 19.000 0.282 0.000 1.350 196 A HN 0.082 nan 8.150 nan 0.000 0.459 197 A N -0.598 122.384 122.820 0.270 0.000 2.356 197 A HA 0.737 5.107 4.320 0.084 0.000 0.323 197 A C -1.266 176.232 177.584 -0.142 0.000 1.119 197 A CA -0.444 51.611 52.037 0.030 0.000 0.790 197 A CB 1.169 20.059 19.000 -0.184 0.000 1.273 197 A HN 1.494 nan 8.150 nan 0.000 0.452 198 L N 1.312 122.294 121.223 -0.402 0.000 2.356 198 L HA 0.782 5.172 4.340 0.084 0.000 0.277 198 L C -1.844 175.063 176.870 0.062 0.000 0.996 198 L CA -0.306 54.277 54.840 -0.428 0.000 0.822 198 L CB 1.116 42.543 42.059 -1.052 0.000 1.256 198 L HN 0.520 nan 8.230 nan 0.000 0.413 199 F N 2.655 122.445 119.950 -0.268 0.000 2.469 199 F HA 0.765 5.343 4.527 0.085 0.000 0.332 199 F C 0.908 176.335 175.800 -0.622 0.000 1.103 199 F CA -1.130 56.654 58.000 -0.360 0.000 0.979 199 F CB 1.895 40.762 39.000 -0.222 0.000 1.137 199 F HN 0.560 nan 8.300 nan 0.000 0.463 200 G N 2.539 110.728 108.800 -1.018 0.000 2.462 200 G HA2 0.658 4.668 3.960 0.084 0.000 0.319 200 G HA3 0.658 4.668 3.960 0.084 0.000 0.319 200 G C -1.015 173.587 174.900 -0.497 0.000 1.171 200 G CA -0.624 43.688 45.100 -1.315 0.000 0.920 200 G HN 0.517 nan 8.290 nan 0.000 0.499 201 I N 0.640 121.018 120.570 -0.319 0.000 2.410 201 I HA 0.226 4.446 4.170 0.084 0.000 0.286 201 I C 0.156 176.221 176.117 -0.087 0.000 1.009 201 I CA -0.531 60.679 61.300 -0.150 0.000 1.111 201 I CB 1.963 39.892 38.000 -0.118 0.000 1.262 201 I HN 0.413 nan 8.210 nan 0.000 0.443 202 Q N 5.942 125.715 119.800 -0.045 0.000 2.304 202 Q HA 0.213 4.603 4.340 0.084 0.000 0.260 202 Q C -0.838 175.148 176.000 -0.022 0.000 0.965 202 Q CA -0.118 55.677 55.803 -0.014 0.000 0.898 202 Q CB 1.095 29.831 28.738 -0.003 0.000 1.196 202 Q HN 0.528 nan 8.270 nan 0.000 0.402 203 Q N 1.117 120.914 119.800 -0.006 0.000 2.962 203 Q HA 0.549 4.939 4.340 0.084 0.000 0.282 203 Q C 0.092 176.117 176.000 0.043 0.000 1.058 203 Q CA -0.007 55.799 55.803 0.005 0.000 0.854 203 Q CB 1.712 30.439 28.738 -0.017 0.000 1.441 203 Q HN 0.966 nan 8.270 nan 0.000 0.497 204 G N -0.260 108.581 108.800 0.069 0.000 2.164 204 G HA2 -0.193 3.817 3.960 0.084 0.000 0.154 204 G HA3 -0.193 3.817 3.960 0.084 0.000 0.154 204 G C 0.335 175.351 174.900 0.192 0.000 1.014 204 G CA 0.921 46.102 45.100 0.135 0.000 0.683 204 G HN 0.801 nan 8.290 nan 0.000 0.500 205 S N -2.304 113.468 115.700 0.120 0.000 3.762 205 S HA -0.352 4.168 4.470 0.084 0.000 0.627 205 S C 1.817 176.391 174.600 -0.042 0.000 2.389 205 S CA 3.302 61.540 58.200 0.064 0.000 3.978 205 S CB -1.223 62.050 63.200 0.122 0.000 0.234 205 S HN 2.015 nan 8.310 nan 0.000 0.960 206 V N -0.242 119.474 119.914 -0.329 0.000 3.514 206 V HA 0.538 4.708 4.120 0.084 0.000 0.301 206 V C 0.236 176.212 176.094 -0.196 0.000 1.346 206 V CA 0.319 62.457 62.300 -0.271 0.000 1.156 206 V CB -0.748 30.895 31.823 -0.300 0.000 1.029 206 V HN 0.461 nan 8.190 nan 0.000 0.428 207 F N 1.274 121.334 119.950 0.184 0.000 2.391 207 F HA 0.491 5.068 4.527 0.084 0.000 0.359 207 F C 1.543 177.344 175.800 0.001 0.000 1.122 207 F CA -0.879 57.169 58.000 0.080 0.000 1.120 207 F CB 1.432 40.451 39.000 0.032 0.000 1.142 207 F HN 0.107 nan 8.300 nan 0.000 0.483 208 E N 2.775 122.891 120.200 -0.139 0.000 2.085 208 E HA -0.267 4.133 4.350 0.084 0.000 0.194 208 E C 1.874 178.359 176.600 -0.191 0.000 0.994 208 E CA 1.819 57.877 56.400 -0.570 0.000 0.801 208 E CB 0.097 29.116 29.700 -1.136 0.000 0.743 208 E HN 0.735 nan 8.360 nan 0.000 0.453 209 N N 1.025 119.669 118.700 -0.093 0.000 2.166 209 N HA -0.198 4.592 4.740 0.084 0.000 0.186 209 N C 1.997 177.507 175.510 -0.001 0.000 1.019 209 N CA 1.244 54.264 53.050 -0.050 0.000 0.856 209 N CB -0.706 37.753 38.487 -0.047 0.000 0.993 209 N HN 0.306 nan 8.380 nan 0.000 0.426 210 L N -0.226 121.029 121.223 0.054 0.000 2.109 210 L HA 0.062 4.452 4.340 0.084 0.000 0.207 210 L C 2.749 179.662 176.870 0.073 0.000 1.086 210 L CA 0.646 55.526 54.840 0.068 0.000 0.760 210 L CB -0.284 41.848 42.059 0.121 0.000 0.910 210 L HN 0.066 nan 8.230 nan 0.000 0.437 211 R N 0.145 120.707 120.500 0.103 0.000 2.096 211 R HA -0.191 4.199 4.340 0.084 0.000 0.235 211 R C 2.212 178.550 176.300 0.063 0.000 1.127 211 R CA 1.359 57.527 56.100 0.112 0.000 0.968 211 R CB -0.393 30.044 30.300 0.228 0.000 0.861 211 R HN 0.333 nan 8.270 nan 0.000 0.440 212 Q N 1.121 120.942 119.800 0.034 0.000 2.079 212 Q HA -0.121 4.269 4.340 0.084 0.000 0.200 212 Q C 1.957 177.962 176.000 0.009 0.000 0.974 212 Q CA 1.623 57.432 55.803 0.010 0.000 0.840 212 Q CB -0.038 28.690 28.738 -0.016 0.000 0.898 212 Q HN 0.347 nan 8.270 nan 0.000 0.430 213 Q N -0.712 119.094 119.800 0.010 0.000 2.135 213 Q HA -0.167 4.223 4.340 0.084 0.000 0.204 213 Q C 2.190 178.203 176.000 0.023 0.000 0.981 213 Q CA 1.543 57.353 55.803 0.012 0.000 0.856 213 Q CB -0.271 28.471 28.738 0.006 0.000 0.902 213 Q HN 0.358 nan 8.270 nan 0.000 0.425 214 S N 0.049 115.766 115.700 0.029 0.000 2.355 214 S HA -0.133 4.388 4.470 0.084 0.000 0.222 214 S C 2.034 176.660 174.600 0.044 0.000 1.031 214 S CA 1.004 59.226 58.200 0.036 0.000 0.993 214 S CB -0.251 62.969 63.200 0.034 0.000 0.859 214 S HN 0.459 nan 8.310 nan 0.000 0.453 215 A N 1.615 124.449 122.820 0.023 0.000 1.917 215 A HA -0.176 4.194 4.320 0.084 0.000 0.219 215 A C 1.875 179.462 177.584 0.005 0.000 1.182 215 A CA 2.162 54.196 52.037 -0.006 0.000 0.633 215 A CB -1.042 17.932 19.000 -0.044 0.000 0.819 215 A HN 0.578 nan 8.150 nan 0.000 0.448 216 D N -0.103 120.305 120.400 0.013 0.000 2.117 216 D HA -0.040 4.650 4.640 0.084 0.000 0.197 216 D C 2.259 178.591 176.300 0.053 0.000 0.987 216 D CA 1.552 55.563 54.000 0.019 0.000 0.829 216 D CB -0.502 40.305 40.800 0.012 0.000 0.961 216 D HN 0.437 nan 8.370 nan 0.000 0.460 217 A N 0.651 123.512 122.820 0.068 0.000 1.902 217 A HA -0.111 4.259 4.320 0.084 0.000 0.217 217 A C 2.400 180.086 177.584 0.169 0.000 1.181 217 A CA 0.889 52.984 52.037 0.097 0.000 0.623 217 A CB -0.730 18.323 19.000 0.087 0.000 0.818 217 A HN 0.197 nan 8.150 nan 0.000 0.443 218 L N -0.958 120.397 121.223 0.220 0.000 2.056 218 L HA -0.158 4.232 4.340 0.084 0.000 0.207 218 L C 3.063 180.224 176.870 0.485 0.000 1.078 218 L CA 1.055 56.153 54.840 0.430 0.000 0.749 218 L CB -0.516 41.794 42.059 0.419 0.000 0.901 218 L HN 0.435 nan 8.230 nan 0.000 0.433 219 A N 0.083 123.061 122.820 0.264 0.000 1.969 219 A HA -0.165 4.205 4.320 0.084 0.000 0.218 219 A C 2.379 180.040 177.584 0.128 0.000 1.169 219 A CA 1.682 53.825 52.037 0.176 0.000 0.635 219 A CB -0.673 18.325 19.000 -0.003 0.000 0.810 219 A HN 0.442 nan 8.150 nan 0.000 0.445 220 E N 0.221 120.482 120.200 0.100 0.000 2.106 220 E HA -0.100 4.300 4.350 0.084 0.000 0.192 220 E C 1.789 178.410 176.600 0.035 0.000 0.984 220 E CA 1.398 57.833 56.400 0.059 0.000 0.806 220 E CB -0.785 28.946 29.700 0.052 0.000 0.750 220 E HN 0.719 nan 8.360 nan 0.000 0.458 221 I N -0.541 120.060 120.570 0.050 0.000 2.286 221 I HA 0.215 4.435 4.170 0.084 0.000 0.245 221 I C 1.495 177.476 176.117 -0.226 0.000 1.104 221 I CA 1.019 62.273 61.300 -0.078 0.000 1.397 221 I CB -0.195 37.765 38.000 -0.067 0.000 1.072 221 I HN 0.492 nan 8.210 nan 0.000 0.417 222 G N 0.913 109.615 108.800 -0.162 0.000 3.307 222 G HA2 -0.178 3.833 3.960 0.084 0.000 0.686 222 G HA3 -0.178 3.833 3.960 0.084 0.000 0.686 222 G C -0.803 173.760 174.900 -0.561 0.000 0.983 222 G CA -0.821 44.190 45.100 -0.148 0.000 0.804 222 G HN 0.068 nan 8.290 nan 0.000 0.531 223 F N 0.415 120.288 119.950 -0.128 0.000 2.640 223 F HA 0.550 5.127 4.527 0.084 0.000 0.324 223 F C 1.040 176.584 175.800 -0.428 0.000 1.077 223 F CA -0.969 56.792 58.000 -0.398 0.000 0.965 223 F CB 1.511 40.074 39.000 -0.730 0.000 1.351 223 F HN 0.340 nan 8.300 nan 0.000 0.487 224 D N 0.255 120.476 120.400 -0.298 0.000 2.323 224 D HA 0.224 4.914 4.640 0.084 0.000 0.209 224 D C 0.577 176.469 176.300 -0.681 0.000 0.973 224 D CA 0.823 54.520 54.000 -0.504 0.000 0.874 224 D CB 0.471 40.748 40.800 -0.872 0.000 0.930 224 D HN 0.601 nan 8.370 nan 0.000 0.521 225 G N -0.625 107.496 108.800 -1.131 0.000 2.601 225 G HA2 0.446 4.456 3.960 0.084 0.000 0.291 225 G HA3 0.446 4.456 3.960 0.084 0.000 0.291 225 G C -2.115 171.928 174.900 -1.429 0.000 1.456 225 G CA -0.785 43.294 45.100 -1.702 0.000 0.804 225 G HN -0.056 nan 8.290 nan 0.000 0.499 226 Y N 0.046 120.007 120.300 -0.565 0.000 2.329 226 Y HA 0.669 5.269 4.550 0.084 0.000 0.328 226 Y C 0.527 176.372 175.900 -0.092 0.000 0.992 226 Y CA -0.582 57.381 58.100 -0.228 0.000 1.151 226 Y CB 2.269 40.658 38.460 -0.117 0.000 1.150 226 Y HN 0.841 nan 8.280 nan 0.000 0.450 227 A N 2.390 125.231 122.820 0.036 0.000 2.303 227 A HA 0.742 5.112 4.320 0.084 0.000 0.317 227 A C -0.851 176.688 177.584 -0.075 0.000 1.149 227 A CA -0.686 51.338 52.037 -0.021 0.000 0.822 227 A CB 0.697 19.624 19.000 -0.121 0.000 1.131 227 A HN 0.529 nan 8.150 nan 0.000 0.493 228 V N 2.568 122.410 119.914 -0.120 0.000 2.348 228 V HA 0.507 4.677 4.120 0.084 0.000 0.270 228 V C 1.016 177.025 176.094 -0.141 0.000 1.037 228 V CA 0.232 62.468 62.300 -0.106 0.000 0.872 228 V CB 0.613 32.380 31.823 -0.094 0.000 1.002 228 V HN 1.082 nan 8.190 nan 0.000 0.464 229 G N 2.625 111.359 108.800 -0.110 0.000 2.488 229 G HA2 0.562 4.572 3.960 0.084 0.000 0.318 229 G HA3 0.562 4.572 3.960 0.084 0.000 0.318 229 G C 0.867 175.728 174.900 -0.064 0.000 1.188 229 G CA 0.054 45.089 45.100 -0.110 0.000 0.944 229 G HN 1.471 nan 8.290 nan 0.000 0.495 230 G N -1.513 107.264 108.800 -0.039 0.000 2.176 230 G HA2 -0.225 3.785 3.960 0.084 0.000 0.253 230 G HA3 -0.225 3.785 3.960 0.084 0.000 0.253 230 G C 0.399 175.292 174.900 -0.012 0.000 0.979 230 G CA 0.622 45.723 45.100 0.003 0.000 0.641 230 G HN 0.623 nan 8.290 nan 0.000 0.530 231 L N -0.000 121.191 121.223 -0.053 0.000 2.492 231 L HA 0.624 5.014 4.340 0.084 0.000 0.263 231 L C 1.837 178.665 176.870 -0.070 0.000 1.062 231 L CA -0.164 54.627 54.840 -0.081 0.000 0.817 231 L CB 1.214 43.221 42.059 -0.086 0.000 1.441 231 L HN 1.116 nan 8.230 nan 0.000 0.493 232 S N -1.482 114.162 115.700 -0.092 0.000 3.641 232 S HA -0.170 4.351 4.470 0.084 0.000 0.346 232 S C 0.504 175.091 174.600 -0.021 0.000 1.074 232 S CA 0.533 58.696 58.200 -0.062 0.000 1.026 232 S CB -2.316 60.862 63.200 -0.037 0.000 0.908 232 S HN 1.115 nan 8.310 nan 0.000 0.479 233 G N -0.513 108.254 108.800 -0.056 0.000 3.575 233 G HA2 0.589 4.599 3.960 0.084 0.000 0.273 233 G HA3 0.589 4.599 3.960 0.084 0.000 0.273 233 G C 1.046 175.965 174.900 0.031 0.000 1.053 233 G CA 0.436 45.562 45.100 0.042 0.000 0.803 233 G HN 1.943 nan 8.290 nan 0.000 0.528 234 G N 0.826 109.583 108.800 -0.071 0.000 2.205 234 G HA2 -0.242 3.768 3.960 0.084 0.000 0.180 234 G HA3 -0.242 3.768 3.960 0.084 0.000 0.180 234 G C 1.057 175.825 174.900 -0.219 0.000 1.004 234 G CA 0.505 45.588 45.100 -0.028 0.000 0.670 234 G HN 0.483 nan 8.290 nan 0.000 0.496 235 E N 1.606 121.407 120.200 -0.665 0.000 2.358 235 E HA 0.355 4.755 4.350 0.084 0.000 0.195 235 E C 1.282 177.685 176.600 -0.328 0.000 1.010 235 E CA 1.383 57.274 56.400 -0.848 0.000 0.856 235 E CB -0.305 28.722 29.700 -1.120 0.000 0.795 235 E HN 2.012 nan 8.360 nan 0.000 0.504 236 G N 1.542 110.201 108.800 -0.236 0.000 2.758 236 G HA2 -0.331 3.680 3.960 0.084 0.000 0.686 236 G HA3 -0.331 3.680 3.960 0.084 0.000 0.686 236 G C 0.171 174.933 174.900 -0.230 0.000 1.389 236 G CA 0.107 45.103 45.100 -0.173 0.000 0.845 236 G HN 0.244 nan 8.290 nan 0.000 0.572 237 Q N -0.506 119.133 119.800 -0.269 0.000 2.084 237 Q HA -0.142 4.248 4.340 0.084 0.000 0.202 237 Q C 2.028 177.715 176.000 -0.522 0.000 0.978 237 Q CA 2.206 57.712 55.803 -0.495 0.000 0.844 237 Q CB -0.126 28.271 28.738 -0.569 0.000 0.898 237 Q HN 0.661 nan 8.270 nan 0.000 0.426 238 D N 0.289 120.515 120.400 -0.289 0.000 2.092 238 D HA -0.191 4.499 4.640 0.084 0.000 0.193 238 D C 1.743 177.987 176.300 -0.093 0.000 0.994 238 D CA 1.500 55.410 54.000 -0.150 0.000 0.828 238 D CB -0.180 40.571 40.800 -0.082 0.000 0.963 238 D HN 0.282 nan 8.370 nan 0.000 0.450 239 E N 0.176 120.305 120.200 -0.118 0.000 2.077 239 E HA -0.130 4.270 4.350 0.084 0.000 0.193 239 E C 2.077 178.600 176.600 -0.128 0.000 0.989 239 E CA 0.750 57.087 56.400 -0.105 0.000 0.800 239 E CB -0.251 29.370 29.700 -0.131 0.000 0.746 239 E HN 0.238 nan 8.360 nan 0.000 0.452 240 M N -0.763 118.735 119.600 -0.170 0.000 2.080 240 M HA -0.159 4.371 4.480 0.084 0.000 0.260 240 M C 1.353 177.677 176.300 0.041 0.000 1.068 240 M CA 1.488 56.718 55.300 -0.116 0.000 1.109 240 M CB -0.142 32.376 32.600 -0.138 0.000 1.342 240 M HN 0.129 nan 8.290 nan 0.000 0.405 241 F N 0.403 120.295 119.950 -0.097 0.000 2.171 241 F HA -0.141 4.436 4.527 0.083 0.000 0.300 241 F C 2.662 178.378 175.800 -0.140 0.000 1.090 241 F CA 1.521 59.469 58.000 -0.087 0.000 1.293 241 F CB -1.401 37.574 39.000 -0.041 0.000 1.013 241 F HN 0.297 nan 8.300 nan 0.000 0.486 242 R N 0.407 120.933 120.500 0.042 0.000 2.081 242 R HA -0.126 4.265 4.340 0.084 0.000 0.235 242 R C 2.038 178.114 176.300 -0.373 0.000 1.131 242 R CA 1.611 57.668 56.100 -0.071 0.000 0.960 242 R CB -0.424 29.872 30.300 -0.007 0.000 0.856 242 R HN 0.139 nan 8.270 nan 0.000 0.436 243 V N 1.356 121.011 119.914 -0.432 0.000 2.379 243 V HA -0.203 3.968 4.120 0.084 0.000 0.245 243 V C 2.368 177.984 176.094 -0.797 0.000 1.044 243 V CA 1.495 63.271 62.300 -0.873 0.000 1.036 243 V CB -0.354 31.233 31.823 -0.393 0.000 0.664 243 V HN 0.334 nan 8.190 nan 0.000 0.453 244 L N -0.216 120.800 121.223 -0.346 0.000 2.083 244 L HA -0.194 4.196 4.340 0.084 0.000 0.209 244 L C 2.384 179.117 176.870 -0.227 0.000 1.083 244 L CA 1.415 56.125 54.840 -0.216 0.000 0.752 244 L CB -0.789 41.234 42.059 -0.060 0.000 0.899 244 L HN 0.341 nan 8.230 nan 0.000 0.433 245 D N 0.381 120.639 120.400 -0.237 0.000 2.133 245 D HA -0.218 4.473 4.640 0.084 0.000 0.195 245 D C 1.902 178.173 176.300 -0.049 0.000 0.997 245 D CA 1.756 55.684 54.000 -0.120 0.000 0.840 245 D CB -0.152 40.610 40.800 -0.063 0.000 0.947 245 D HN 0.489 nan 8.370 nan 0.000 0.452 246 F N -0.540 119.410 119.950 0.000 0.000 2.619 246 F HA 0.337 4.914 4.527 0.084 0.000 0.293 246 F C 2.157 177.941 175.800 -0.026 0.000 1.119 246 F CA -0.039 57.956 58.000 -0.009 0.000 1.445 246 F CB -0.554 38.447 39.000 0.001 0.000 1.119 246 F HN -0.248 nan 8.300 nan 0.000 0.573 247 S N 0.980 116.693 115.700 0.021 0.000 2.406 247 S HA -0.034 4.486 4.470 0.084 0.000 0.224 247 S C 2.158 176.730 174.600 -0.045 0.000 1.030 247 S CA 1.081 59.321 58.200 0.067 0.000 0.958 247 S CB -0.417 62.762 63.200 -0.035 0.000 0.811 247 S HN 0.252 nan 8.310 nan 0.000 0.489 248 V N 2.711 122.563 119.914 -0.103 0.000 2.358 248 V HA -0.067 4.103 4.120 0.084 0.000 0.246 248 V C -0.937 175.044 176.094 -0.188 0.000 1.047 248 V CA 1.463 63.648 62.300 -0.191 0.000 1.035 248 V CB -1.927 29.803 31.823 -0.154 0.000 0.658 248 V HN 0.319 nan 8.190 nan 0.000 0.452 249 P HA -0.107 nan 4.420 nan 0.000 0.223 249 P C 1.665 178.930 177.300 -0.058 0.000 1.144 249 P CA 1.325 64.399 63.100 -0.042 0.000 0.783 249 P CB -0.157 31.549 31.700 0.010 0.000 0.771 250 M N -1.934 117.628 119.600 -0.064 0.000 2.492 250 M HA -0.001 4.529 4.480 0.084 0.000 0.262 250 M C 0.685 176.897 176.300 -0.147 0.000 1.090 250 M CA 0.769 56.027 55.300 -0.069 0.000 1.110 250 M CB -0.467 32.116 32.600 -0.029 0.000 1.407 250 M HN -0.103 nan 8.290 nan 0.000 0.470 251 L N 0.600 121.680 121.223 -0.238 0.000 2.418 251 L HA 0.301 4.691 4.340 0.084 0.000 0.265 251 L C -2.076 174.636 176.870 -0.264 0.000 1.143 251 L CA -2.258 52.362 54.840 -0.367 0.000 0.809 251 L CB -0.344 41.418 42.059 -0.496 0.000 1.124 251 L HN -0.236 nan 8.230 nan 0.000 0.456 252 P HA -0.054 nan 4.420 nan 0.000 0.261 252 P C -0.085 177.297 177.300 0.137 0.000 1.183 252 P CA 0.259 63.296 63.100 -0.106 0.000 0.761 252 P CB 0.529 32.142 31.700 -0.145 0.000 0.785 253 D N 2.604 123.084 120.400 0.133 0.000 2.178 253 D HA -0.185 4.505 4.640 0.084 0.000 0.201 253 D C 1.005 177.415 176.300 0.183 0.000 0.980 253 D CA 1.197 55.317 54.000 0.199 0.000 0.842 253 D CB -0.049 40.821 40.800 0.116 0.000 0.948 253 D HN 0.388 nan 8.370 nan 0.000 0.472 254 D N -0.782 119.719 120.400 0.168 0.000 2.319 254 D HA -0.014 4.677 4.640 0.084 0.000 0.230 254 D C -0.099 176.412 176.300 0.353 0.000 1.094 254 D CA 0.149 54.269 54.000 0.199 0.000 0.856 254 D CB 0.033 40.914 40.800 0.134 0.000 0.915 254 D HN 0.032 nan 8.370 nan 0.000 0.517 255 K N 0.579 121.150 120.400 0.285 0.000 2.395 255 K HA 0.474 4.844 4.320 0.084 0.000 0.247 255 K C -2.869 173.557 176.600 -0.290 0.000 0.973 255 K CA -2.276 54.115 56.287 0.174 0.000 0.828 255 K CB 1.599 34.256 32.500 0.262 0.000 1.272 255 K HN -0.125 nan 8.250 nan 0.000 0.439 256 P HA 0.077 nan 4.420 nan 0.000 0.269 256 P C -0.858 176.247 177.300 -0.327 0.000 1.209 256 P CA 0.159 62.741 63.100 -0.863 0.000 0.776 256 P CB 0.333 31.622 31.700 -0.685 0.000 0.876 257 H N 1.757 120.735 119.070 -0.154 0.000 2.511 257 H HA 0.313 4.919 4.556 0.084 0.000 0.328 257 H C -0.901 174.414 175.328 -0.021 0.000 1.044 257 H CA -0.343 55.671 56.048 -0.057 0.000 1.212 257 H CB 0.423 30.160 29.762 -0.042 0.000 1.428 257 H HN 0.378 nan 8.280 nan 0.000 0.483 258 Y N 4.103 124.398 120.300 -0.008 0.000 2.328 258 Y HA 0.343 4.943 4.550 0.084 0.000 0.336 258 Y C -1.456 174.369 175.900 -0.125 0.000 0.960 258 Y CA -1.705 56.345 58.100 -0.085 0.000 1.134 258 Y CB 0.910 39.415 38.460 0.074 0.000 1.166 258 Y HN 0.486 nan 8.280 nan 0.000 0.464 259 L N 7.745 128.887 121.223 -0.134 0.000 2.264 259 L HA 0.474 4.864 4.340 0.084 0.000 0.287 259 L C -0.711 176.003 176.870 -0.260 0.000 1.039 259 L CA -0.341 54.371 54.840 -0.214 0.000 0.829 259 L CB 0.327 42.332 42.059 -0.090 0.000 1.211 259 L HN 0.716 nan 8.230 nan 0.000 0.427 260 M N 4.912 124.191 119.600 -0.535 0.000 2.219 260 M HA 0.294 4.824 4.480 0.084 0.000 0.353 260 M C 1.307 177.468 176.300 -0.230 0.000 1.304 260 M CA 0.755 55.737 55.300 -0.529 0.000 1.115 260 M CB 0.526 32.761 32.600 -0.608 0.000 1.664 260 M HN 0.868 nan 8.290 nan 0.000 0.459 261 G N 2.405 111.134 108.800 -0.118 0.000 2.198 261 G HA2 -0.153 3.857 3.960 0.084 0.000 0.257 261 G HA3 -0.153 3.857 3.960 0.084 0.000 0.257 261 G C -0.489 174.427 174.900 0.027 0.000 1.042 261 G CA -0.233 44.802 45.100 -0.109 0.000 0.791 261 G HN 0.598 nan 8.290 nan 0.000 0.502 262 V N -0.591 119.427 119.914 0.174 0.000 2.638 262 V HA 0.972 5.142 4.120 0.084 0.000 0.306 262 V C 0.669 177.006 176.094 0.405 0.000 1.052 262 V CA 0.441 62.901 62.300 0.266 0.000 0.885 262 V CB 1.545 33.561 31.823 0.321 0.000 0.999 262 V HN 1.599 nan 8.190 nan 0.000 0.424 263 G N 2.604 111.588 108.800 0.308 0.000 2.399 263 G HA2 0.563 4.573 3.960 0.084 0.000 0.256 263 G HA3 0.563 4.573 3.960 0.084 0.000 0.256 263 G C -0.505 174.485 174.900 0.150 0.000 1.236 263 G CA -0.043 45.175 45.100 0.196 0.000 0.914 263 G HN 0.863 nan 8.290 nan 0.000 0.482 264 K N 0.381 120.850 120.400 0.114 0.000 2.319 264 K HA 0.588 4.958 4.320 0.084 0.000 0.265 264 K C -1.087 175.458 176.600 -0.093 0.000 1.000 264 K CA -0.022 56.319 56.287 0.089 0.000 0.943 264 K CB -0.511 32.099 32.500 0.182 0.000 0.950 264 K HN 0.264 nan 8.250 nan 0.000 0.485 265 P HA -0.268 nan 4.420 nan 0.000 0.216 265 P C 0.725 177.878 177.300 -0.246 0.000 1.154 265 P CA 1.705 64.525 63.100 -0.466 0.000 0.865 265 P CB 0.228 31.630 31.700 -0.497 0.000 0.789 266 D N -1.003 119.430 120.400 0.056 0.000 2.144 266 D HA -0.180 4.510 4.640 0.084 0.000 0.199 266 D C 1.298 177.758 176.300 0.267 0.000 0.984 266 D CA 1.158 55.347 54.000 0.314 0.000 0.834 266 D CB -1.137 40.012 40.800 0.581 0.000 0.955 266 D HN 0.163 nan 8.370 nan 0.000 0.465 267 D N 0.809 121.320 120.400 0.185 0.000 2.117 267 D HA -0.039 4.651 4.640 0.084 0.000 0.198 267 D C 2.417 178.836 176.300 0.198 0.000 0.982 267 D CA 0.398 54.550 54.000 0.254 0.000 0.828 267 D CB -0.190 40.700 40.800 0.150 0.000 0.967 267 D HN 0.316 nan 8.370 nan 0.000 0.464 268 I N 0.498 121.007 120.570 -0.101 0.000 2.179 268 I HA -0.235 3.985 4.170 0.084 0.000 0.242 268 I C 2.449 178.456 176.117 -0.184 0.000 1.088 268 I CA 0.633 61.655 61.300 -0.464 0.000 1.357 268 I CB -0.189 37.320 38.000 -0.818 0.000 1.051 268 I HN -0.116 nan 8.210 nan 0.000 0.409 269 V N 1.041 120.889 119.914 -0.109 0.000 2.287 269 V HA -0.257 3.913 4.120 0.084 0.000 0.248 269 V C 2.546 178.719 176.094 0.132 0.000 1.053 269 V CA 2.331 64.662 62.300 0.052 0.000 1.027 269 V CB -1.424 30.361 31.823 -0.062 0.000 0.646 269 V HN 0.597 nan 8.190 nan 0.000 0.447 270 G N -0.868 107.977 108.800 0.075 0.000 2.408 270 G HA2 -0.113 3.897 3.960 0.084 0.000 0.217 270 G HA3 -0.113 3.897 3.960 0.084 0.000 0.217 270 G C 1.729 176.429 174.900 -0.333 0.000 1.150 270 G CA 0.902 45.841 45.100 -0.268 0.000 0.776 270 G HN 0.609 nan 8.290 nan 0.000 0.542 271 A N 0.233 123.065 122.820 0.020 0.000 1.930 271 A HA 0.127 4.497 4.320 0.084 0.000 0.217 271 A C 2.550 180.273 177.584 0.232 0.000 1.175 271 A CA 1.597 53.740 52.037 0.176 0.000 0.627 271 A CB -0.487 18.812 19.000 0.498 0.000 0.815 271 A HN 0.226 nan 8.150 nan 0.000 0.443 272 V N 0.306 120.413 119.914 0.321 0.000 2.407 272 V HA -0.257 3.913 4.120 0.084 0.000 0.248 272 V C 2.261 178.508 176.094 0.256 0.000 1.055 272 V CA 2.142 64.608 62.300 0.277 0.000 1.049 272 V CB -0.856 31.087 31.823 0.199 0.000 0.662 272 V HN 0.633 nan 8.190 nan 0.000 0.455 273 E N -0.116 120.261 120.200 0.294 0.000 2.267 273 E HA -0.183 4.217 4.350 0.084 0.000 0.197 273 E C 1.982 178.633 176.600 0.083 0.000 0.998 273 E CA 0.815 57.353 56.400 0.230 0.000 0.830 273 E CB -0.087 29.627 29.700 0.024 0.000 0.751 273 E HN 0.547 nan 8.360 nan 0.000 0.491 274 R N -0.992 119.525 120.500 0.027 0.000 2.432 274 R HA 0.141 4.531 4.340 0.084 0.000 0.260 274 R C 0.722 177.050 176.300 0.048 0.000 0.935 274 R CA 0.438 56.536 56.100 -0.004 0.000 1.080 274 R CB 1.150 31.395 30.300 -0.091 0.000 1.155 274 R HN 0.189 nan 8.270 nan 0.000 0.531 275 G N 0.776 109.639 108.800 0.104 0.000 2.163 275 G HA2 -0.177 3.833 3.960 0.084 0.000 0.213 275 G HA3 -0.177 3.833 3.960 0.084 0.000 0.213 275 G C 0.026 175.054 174.900 0.214 0.000 0.991 275 G CA -0.651 44.547 45.100 0.162 0.000 0.653 275 G HN 0.081 nan 8.290 nan 0.000 0.518 276 I N 1.524 122.175 120.570 0.136 0.000 2.472 276 I HA 0.331 4.551 4.170 0.084 0.000 0.290 276 I C 0.455 176.573 176.117 0.000 0.000 1.016 276 I CA -0.239 61.086 61.300 0.042 0.000 1.348 276 I CB 1.240 39.189 38.000 -0.084 0.000 1.417 276 I HN 0.031 nan 8.210 nan 0.000 0.521 277 D N 4.785 125.132 120.400 -0.088 0.000 2.454 277 D HA 0.217 4.907 4.640 0.084 0.000 0.214 277 D C 0.254 176.493 176.300 -0.101 0.000 1.088 277 D CA 0.704 54.668 54.000 -0.059 0.000 0.855 277 D CB 1.080 41.821 40.800 -0.099 0.000 1.025 277 D HN 0.403 nan 8.370 nan 0.000 0.502 278 M N 0.078 119.500 119.600 -0.296 0.000 2.484 278 M HA 0.450 4.980 4.480 0.084 0.000 0.289 278 M C -1.594 174.437 176.300 -0.447 0.000 1.206 278 M CA -0.589 54.569 55.300 -0.236 0.000 0.892 278 M CB 3.040 35.494 32.600 -0.243 0.000 1.712 278 M HN -0.310 nan 8.290 nan 0.000 0.462 279 F N 0.242 120.270 119.950 0.131 0.000 2.601 279 F HA 0.575 5.151 4.527 0.083 0.000 0.309 279 F C -0.792 174.962 175.800 -0.076 0.000 1.089 279 F CA -0.835 57.284 58.000 0.199 0.000 0.940 279 F CB 1.891 41.087 39.000 0.326 0.000 1.273 279 F HN 0.547 nan 8.300 nan 0.000 0.450 280 D N 0.525 121.032 120.400 0.178 0.000 2.756 280 D HA 0.581 5.271 4.640 0.084 0.000 0.226 280 D C -1.651 174.690 176.300 0.068 0.000 1.186 280 D CA -0.431 53.464 54.000 -0.176 0.000 0.845 280 D CB 2.225 42.973 40.800 -0.087 0.000 1.610 280 D HN 0.717 nan 8.370 nan 0.000 0.465 281 C N 1.434 120.782 119.300 0.080 0.000 3.283 281 C HA 0.335 4.845 4.460 0.084 0.000 0.359 281 C C 0.956 176.024 174.990 0.131 0.000 1.160 281 C CA -0.285 58.841 59.018 0.180 0.000 1.232 281 C CB 0.978 28.905 27.740 0.311 0.000 1.571 281 C HN 0.627 nan 8.230 nan 0.000 0.522 282 V N 3.326 123.278 119.914 0.065 0.000 3.461 282 V HA 0.098 4.268 4.120 0.084 0.000 0.267 282 V C 1.617 177.728 176.094 0.028 0.000 1.186 282 V CA 1.420 63.741 62.300 0.034 0.000 1.154 282 V CB -0.729 31.109 31.823 0.025 0.000 0.802 282 V HN 0.854 nan 8.190 nan 0.000 0.474 283 L N 2.193 123.443 121.223 0.045 0.000 1.990 283 L HA -0.004 4.387 4.340 0.084 0.000 0.213 283 L C 0.215 177.094 176.870 0.014 0.000 1.072 283 L CA 2.838 57.714 54.840 0.061 0.000 0.755 283 L CB -1.749 40.382 42.059 0.119 0.000 0.889 283 L HN 0.307 nan 8.230 nan 0.000 0.432 284 P HA -0.133 nan 4.420 nan 0.000 0.217 284 P C 1.544 178.813 177.300 -0.051 0.000 1.150 284 P CA 2.413 65.371 63.100 -0.237 0.000 0.832 284 P CB -0.442 30.801 31.700 -0.763 0.000 0.787 285 T N -2.221 112.299 114.554 -0.058 0.000 2.698 285 T HA -0.082 4.318 4.350 0.084 0.000 0.260 285 T C 2.302 176.994 174.700 -0.013 0.000 1.044 285 T CA 1.753 63.836 62.100 -0.028 0.000 1.149 285 T CB -1.466 67.382 68.868 -0.033 0.000 0.864 285 T HN 0.051 nan 8.240 nan 0.000 0.419 286 R N 2.025 122.522 120.500 -0.004 0.000 2.080 286 R HA -0.045 4.346 4.340 0.084 0.000 0.236 286 R C 2.901 179.202 176.300 0.002 0.000 1.137 286 R CA 2.576 58.676 56.100 -0.000 0.000 0.943 286 R CB -1.861 28.447 30.300 0.014 0.000 0.846 286 R HN 0.817 nan 8.270 nan 0.000 0.431 287 S N -0.696 115.021 115.700 0.027 0.000 2.428 287 S HA 0.069 4.589 4.470 0.084 0.000 0.230 287 S C 2.425 177.006 174.600 -0.032 0.000 1.014 287 S CA 1.054 59.258 58.200 0.006 0.000 0.957 287 S CB -0.565 62.659 63.200 0.041 0.000 0.784 287 S HN 0.760 nan 8.310 nan 0.000 0.499 288 G N 2.214 111.011 108.800 -0.005 0.000 2.446 288 G HA2 -0.182 3.828 3.960 0.084 0.000 0.217 288 G HA3 -0.182 3.828 3.960 0.084 0.000 0.217 288 G C 1.708 176.577 174.900 -0.051 0.000 1.168 288 G CA 0.565 45.651 45.100 -0.023 0.000 0.771 288 G HN 0.550 nan 8.290 nan 0.000 0.551 289 R N 0.145 120.618 120.500 -0.044 0.000 2.152 289 R HA -0.071 4.319 4.340 0.084 0.000 0.232 289 R C 2.580 178.839 176.300 -0.068 0.000 1.117 289 R CA 1.310 57.376 56.100 -0.058 0.000 0.981 289 R CB -0.577 29.694 30.300 -0.049 0.000 0.870 289 R HN 0.516 nan 8.270 nan 0.000 0.451 290 N N 0.003 118.667 118.700 -0.061 0.000 2.412 290 N HA 0.072 4.862 4.740 0.084 0.000 0.184 290 N C 1.280 176.741 175.510 -0.082 0.000 1.101 290 N CA 0.772 53.784 53.050 -0.064 0.000 0.881 290 N CB 0.302 38.761 38.487 -0.047 0.000 0.969 290 N HN 0.336 nan 8.380 nan 0.000 0.459 291 G N -1.273 107.468 108.800 -0.098 0.000 2.192 291 G HA2 -0.166 3.844 3.960 0.084 0.000 0.193 291 G HA3 -0.166 3.844 3.960 0.084 0.000 0.193 291 G C -0.122 174.690 174.900 -0.148 0.000 0.999 291 G CA 0.210 45.240 45.100 -0.117 0.000 0.659 291 G HN 0.856 nan 8.290 nan 0.000 0.503 292 Q N 0.599 120.297 119.800 -0.170 0.000 2.303 292 Q HA 0.721 5.111 4.340 0.084 0.000 0.257 292 Q C -0.057 175.736 176.000 -0.345 0.000 0.941 292 Q CA 0.026 55.664 55.803 -0.276 0.000 0.931 292 Q CB 1.170 29.723 28.738 -0.308 0.000 1.215 292 Q HN 0.838 nan 8.270 nan 0.000 0.437 293 A N 4.453 127.040 122.820 -0.388 0.000 2.304 293 A HA 0.580 4.950 4.320 0.084 0.000 0.323 293 A C -1.208 176.078 177.584 -0.496 0.000 1.195 293 A CA -0.606 51.245 52.037 -0.310 0.000 0.826 293 A CB 0.436 19.277 19.000 -0.265 0.000 1.184 293 A HN 0.755 nan 8.150 nan 0.000 0.496 294 F N 1.752 121.565 119.950 -0.228 0.000 2.443 294 F HA 0.489 5.065 4.527 0.080 0.000 0.353 294 F C 1.388 176.695 175.800 -0.822 0.000 1.101 294 F CA 0.806 58.438 58.000 -0.613 0.000 1.226 294 F CB 1.633 40.095 39.000 -0.896 0.000 1.140 294 F HN 0.645 nan 8.300 nan 0.000 0.557 295 T N -1.519 112.673 114.554 -0.603 0.000 2.896 295 T HA 0.260 4.660 4.350 0.084 0.000 0.297 295 T C 0.123 174.763 174.700 -0.100 0.000 1.108 295 T CA -0.923 60.975 62.100 -0.336 0.000 1.004 295 T CB 0.810 69.611 68.868 -0.111 0.000 1.159 295 T HN 0.594 nan 8.240 nan 0.000 0.499 296 W N 0.343 121.890 121.300 0.412 0.000 2.525 296 W HA 0.123 4.832 4.660 0.082 0.000 0.259 296 W C 1.127 177.758 176.519 0.186 0.000 1.253 296 W CA 0.108 57.724 57.345 0.452 0.000 1.262 296 W CB 0.114 29.793 29.460 0.365 0.000 1.122 296 W HN 0.669 nan 8.180 nan 0.000 0.607 297 D N -0.159 120.354 120.400 0.188 0.000 2.336 297 D HA 0.263 4.954 4.640 0.084 0.000 0.228 297 D C 1.081 177.193 176.300 -0.313 0.000 1.120 297 D CA 0.913 54.893 54.000 -0.033 0.000 0.839 297 D CB 0.024 40.831 40.800 0.010 0.000 0.932 297 D HN 0.119 nan 8.370 nan 0.000 0.509 298 G N 2.322 110.759 108.800 -0.604 0.000 2.612 298 G HA2 -0.145 3.865 3.960 0.084 0.000 0.686 298 G HA3 -0.145 3.865 3.960 0.084 0.000 0.686 298 G C -3.039 171.521 174.900 -0.568 0.000 1.274 298 G CA -1.181 43.267 45.100 -1.088 0.000 0.849 298 G HN -0.126 nan 8.290 nan 0.000 0.595 299 P HA 0.514 nan 4.420 nan 0.000 0.271 299 P C 0.203 177.316 177.300 -0.311 0.000 1.218 299 P CA -0.070 62.764 63.100 -0.443 0.000 0.780 299 P CB 0.775 32.188 31.700 -0.480 0.000 0.901 300 I N -3.075 117.308 120.570 -0.312 0.000 2.646 300 I HA 0.601 4.822 4.170 0.084 0.000 0.299 300 I C 0.105 176.105 176.117 -0.196 0.000 1.036 300 I CA -1.256 59.931 61.300 -0.189 0.000 1.074 300 I CB 1.691 39.545 38.000 -0.243 0.000 1.258 300 I HN 0.203 nan 8.210 nan 0.000 0.430 301 N N 3.800 122.480 118.700 -0.033 0.000 2.645 301 N HA 0.321 5.111 4.740 0.084 0.000 0.233 301 N C 0.493 176.047 175.510 0.072 0.000 1.058 301 N CA -0.568 52.479 53.050 -0.006 0.000 0.942 301 N CB 0.794 39.306 38.487 0.042 0.000 1.210 301 N HN 0.750 nan 8.380 nan 0.000 0.512 302 I N 0.592 121.087 120.570 -0.125 0.000 2.530 302 I HA -0.136 4.084 4.170 0.084 0.000 0.257 302 I C 2.223 178.462 176.117 0.203 0.000 1.179 302 I CA 1.149 62.357 61.300 -0.153 0.000 1.440 302 I CB 0.102 37.960 38.000 -0.236 0.000 1.087 302 I HN 0.596 nan 8.210 nan 0.000 0.440 303 R N 0.232 120.797 120.500 0.108 0.000 2.235 303 R HA -0.049 4.341 4.340 0.084 0.000 0.213 303 R C 1.013 177.464 176.300 0.251 0.000 1.059 303 R CA 0.026 56.155 56.100 0.048 0.000 0.997 303 R CB -0.610 29.659 30.300 -0.052 0.000 0.884 303 R HN 0.398 nan 8.270 nan 0.000 0.462 304 N N 1.069 119.972 118.700 0.339 0.000 2.407 304 N HA -0.076 4.714 4.740 0.084 0.000 0.250 304 N C 0.833 176.473 175.510 0.218 0.000 1.236 304 N CA 0.408 53.588 53.050 0.218 0.000 0.879 304 N CB 1.077 39.635 38.487 0.118 0.000 1.088 304 N HN 0.094 nan 8.380 nan 0.000 0.450 305 A N 4.787 127.669 122.820 0.104 0.000 2.032 305 A HA -0.227 4.144 4.320 0.084 0.000 0.221 305 A C 2.023 179.500 177.584 -0.180 0.000 1.165 305 A CA 1.740 53.792 52.037 0.025 0.000 0.645 305 A CB -0.427 18.574 19.000 0.002 0.000 0.807 305 A HN 0.916 nan 8.150 nan 0.000 0.453 306 R N -1.934 118.367 120.500 -0.332 0.000 2.237 306 R HA -0.028 4.362 4.340 0.084 0.000 0.219 306 R C 0.713 176.652 176.300 -0.603 0.000 1.080 306 R CA 1.481 57.282 56.100 -0.498 0.000 0.995 306 R CB -0.501 29.423 30.300 -0.626 0.000 0.875 306 R HN 0.407 nan 8.270 nan 0.000 0.462 307 F N 1.640 121.480 119.950 -0.184 0.000 2.727 307 F HA 0.175 4.755 4.527 0.087 0.000 0.302 307 F C 2.227 177.755 175.800 -0.453 0.000 1.097 307 F CA 0.217 58.078 58.000 -0.232 0.000 1.330 307 F CB 0.379 39.315 39.000 -0.106 0.000 1.084 307 F HN 0.119 nan 8.300 nan 0.000 0.578 308 S N -0.026 115.350 115.700 -0.539 0.000 2.399 308 S HA -0.159 4.361 4.470 0.084 0.000 0.231 308 S C 1.152 175.658 174.600 -0.157 0.000 1.022 308 S CA 1.323 59.190 58.200 -0.555 0.000 0.983 308 S CB -0.332 62.686 63.200 -0.303 0.000 0.803 308 S HN 0.542 nan 8.310 nan 0.000 0.480 309 E N 0.674 120.818 120.200 -0.093 0.000 2.887 309 E HA 0.206 4.606 4.350 0.084 0.000 0.206 309 E C -1.150 175.454 176.600 0.007 0.000 0.983 309 E CA -0.260 56.127 56.400 -0.022 0.000 1.141 309 E CB 0.414 30.100 29.700 -0.024 0.000 1.061 309 E HN 0.322 nan 8.360 nan 0.000 0.468 310 D N 1.318 121.738 120.400 0.033 0.000 2.339 310 D HA 0.095 4.786 4.640 0.084 0.000 0.241 310 D C 0.757 177.108 176.300 0.084 0.000 1.183 310 D CA -0.124 53.921 54.000 0.075 0.000 0.859 310 D CB 0.957 41.857 40.800 0.166 0.000 1.067 310 D HN 0.174 nan 8.370 nan 0.000 0.484 311 L N 2.969 124.230 121.223 0.064 0.000 2.599 311 L HA 0.051 4.441 4.340 0.084 0.000 0.230 311 L C 1.266 178.174 176.870 0.065 0.000 1.141 311 L CA 0.321 55.199 54.840 0.063 0.000 0.877 311 L CB -0.093 41.991 42.059 0.042 0.000 1.009 311 L HN 0.144 nan 8.230 nan 0.000 0.447 312 K N 1.170 121.611 120.400 0.068 0.000 2.219 312 K HA 0.164 4.534 4.320 0.084 0.000 0.258 312 K C -2.107 174.527 176.600 0.057 0.000 1.008 312 K CA -1.669 54.655 56.287 0.061 0.000 0.928 312 K CB 0.115 32.656 32.500 0.067 0.000 0.983 312 K HN -0.161 nan 8.250 nan 0.000 0.484 313 P HA -0.019 nan 4.420 nan 0.000 0.274 313 P C 0.712 177.995 177.300 -0.028 0.000 1.260 313 P CA -0.070 63.052 63.100 0.037 0.000 0.793 313 P CB 0.517 32.254 31.700 0.061 0.000 1.048 314 L N -1.167 119.980 121.223 -0.126 0.000 2.013 314 L HA -0.108 4.282 4.340 0.084 0.000 0.212 314 L C 1.447 178.207 176.870 -0.182 0.000 1.073 314 L CA 1.731 56.397 54.840 -0.290 0.000 0.753 314 L CB -0.431 41.245 42.059 -0.638 0.000 0.890 314 L HN 0.494 nan 8.230 nan 0.000 0.432 315 D N -1.536 118.834 120.400 -0.051 0.000 2.780 315 D HA 0.094 4.784 4.640 0.084 0.000 0.242 315 D C 0.655 177.070 176.300 0.192 0.000 1.135 315 D CA 0.220 54.302 54.000 0.137 0.000 0.859 315 D CB 2.012 42.998 40.800 0.310 0.000 1.530 315 D HN -0.026 nan 8.370 nan 0.000 0.493 316 S N 2.502 118.323 115.700 0.202 0.000 2.447 316 S HA -0.094 4.427 4.470 0.084 0.000 0.233 316 S C 1.060 175.778 174.600 0.196 0.000 1.006 316 S CA 0.893 59.196 58.200 0.170 0.000 0.957 316 S CB 0.034 63.323 63.200 0.148 0.000 0.773 316 S HN 0.600 nan 8.310 nan 0.000 0.507 317 E N -0.324 120.051 120.200 0.292 0.000 2.413 317 E HA 0.204 4.604 4.350 0.084 0.000 0.203 317 E C 0.477 177.257 176.600 0.300 0.000 0.957 317 E CA -0.248 56.309 56.400 0.262 0.000 0.950 317 E CB 0.484 30.330 29.700 0.243 0.000 0.957 317 E HN 0.504 nan 8.360 nan 0.000 0.497 318 C N 1.823 121.366 119.300 0.405 0.000 2.465 318 C HA -0.033 4.477 4.460 0.084 0.000 0.402 318 C C 1.706 176.854 174.990 0.264 0.000 1.448 318 C CA 0.932 60.187 59.018 0.396 0.000 1.589 318 C CB -0.685 27.356 27.740 0.502 0.000 2.535 318 C HN 0.672 nan 8.230 nan 0.000 0.600 319 H N 3.800 123.001 119.070 0.217 0.000 2.539 319 H HA 0.263 4.869 4.556 0.084 0.000 0.267 319 H C 1.216 176.636 175.328 0.153 0.000 0.982 319 H CA 0.719 56.859 56.048 0.154 0.000 1.146 319 H CB -0.908 28.924 29.762 0.117 0.000 1.382 319 H HN 1.135 nan 8.280 nan 0.000 0.577 320 C N -0.588 118.831 119.300 0.200 0.000 2.656 320 C HA 0.705 5.215 4.460 0.084 0.000 0.391 320 C C 2.422 177.526 174.990 0.190 0.000 1.300 320 C CA 0.047 59.183 59.018 0.197 0.000 2.302 320 C CB 0.097 27.980 27.740 0.239 0.000 2.655 320 C HN 0.738 nan 8.230 nan 0.000 0.656 321 A N 2.195 125.124 122.820 0.182 0.000 2.024 321 A HA -0.018 4.352 4.320 0.084 0.000 0.220 321 A C 2.042 179.772 177.584 0.245 0.000 1.164 321 A CA 2.108 54.249 52.037 0.172 0.000 0.643 321 A CB -0.812 18.299 19.000 0.185 0.000 0.806 321 A HN 1.044 nan 8.150 nan 0.000 0.451 322 V N -1.225 118.898 119.914 0.347 0.000 2.358 322 V HA -0.273 3.897 4.120 0.084 0.000 0.246 322 V C 2.427 178.732 176.094 0.352 0.000 1.047 322 V CA 1.974 64.572 62.300 0.496 0.000 1.035 322 V CB -0.939 31.111 31.823 0.379 0.000 0.658 322 V HN 0.691 nan 8.190 nan 0.000 0.452 323 C N -0.162 119.284 119.300 0.245 0.000 2.481 323 C HA 0.031 4.541 4.460 0.084 0.000 0.275 323 C C 3.179 178.230 174.990 0.102 0.000 1.419 323 C CA 0.771 59.888 59.018 0.165 0.000 1.773 323 C CB -1.280 26.570 27.740 0.184 0.000 1.862 323 C HN 0.719 nan 8.230 nan 0.000 0.530 324 Q N 0.647 120.491 119.800 0.073 0.000 2.245 324 Q HA 0.018 4.408 4.340 0.084 0.000 0.201 324 Q C 2.002 177.935 176.000 -0.113 0.000 0.955 324 Q CA 1.988 57.787 55.803 -0.007 0.000 0.870 324 Q CB -0.516 28.216 28.738 -0.009 0.000 0.945 324 Q HN 0.793 nan 8.270 nan 0.000 0.461 325 K N -2.043 118.238 120.400 -0.199 0.000 2.462 325 K HA 0.345 4.716 4.320 0.084 0.000 0.201 325 K C 0.350 176.600 176.600 -0.583 0.000 1.268 325 K CA 0.266 56.212 56.287 -0.568 0.000 0.933 325 K CB 0.475 32.236 32.500 -1.231 0.000 1.162 325 K HN 0.574 nan 8.250 nan 0.000 0.527 326 W N 1.180 122.508 121.300 0.047 0.000 2.781 326 W HA 0.532 5.215 4.660 0.038 0.000 0.345 326 W C 0.089 176.652 176.519 0.074 0.000 1.085 326 W CA -1.012 56.374 57.345 0.068 0.000 1.198 326 W CB 1.712 31.279 29.460 0.177 0.000 1.423 326 W HN 0.268 nan 8.180 nan 0.000 0.532 327 S N 0.822 116.716 115.700 0.324 0.000 2.632 327 S HA 0.370 4.890 4.470 0.084 0.000 0.271 327 S C 1.063 175.784 174.600 0.203 0.000 1.260 327 S CA -0.507 57.817 58.200 0.208 0.000 1.010 327 S CB 2.023 65.325 63.200 0.170 0.000 0.965 327 S HN 0.494 nan 8.310 nan 0.000 0.534 328 R N 0.962 121.525 120.500 0.105 0.000 2.113 328 R HA -0.204 4.186 4.340 0.084 0.000 0.244 328 R C 2.556 178.938 176.300 0.135 0.000 1.142 328 R CA 1.838 57.966 56.100 0.047 0.000 0.953 328 R CB -1.147 29.162 30.300 0.015 0.000 0.860 328 R HN 0.859 nan 8.270 nan 0.000 0.438 329 A N 0.068 122.987 122.820 0.165 0.000 1.908 329 A HA -0.231 4.139 4.320 0.084 0.000 0.218 329 A C 1.993 179.748 177.584 0.285 0.000 1.181 329 A CA 1.395 53.539 52.037 0.178 0.000 0.627 329 A CB -0.726 18.353 19.000 0.132 0.000 0.818 329 A HN 0.476 nan 8.150 nan 0.000 0.445 330 Y N 0.498 120.894 120.300 0.159 0.000 2.163 330 Y HA -0.132 4.463 4.550 0.075 0.000 0.288 330 Y C 1.972 177.960 175.900 0.146 0.000 1.136 330 Y CA 1.574 59.782 58.100 0.179 0.000 1.147 330 Y CB -0.300 38.275 38.460 0.192 0.000 0.987 330 Y HN 0.272 nan 8.280 nan 0.000 0.509 331 I N -0.733 119.861 120.570 0.039 0.000 2.394 331 I HA -0.282 3.938 4.170 0.084 0.000 0.251 331 I C 2.383 178.443 176.117 -0.095 0.000 1.136 331 I CA 1.569 62.783 61.300 -0.143 0.000 1.425 331 I CB -0.623 37.327 38.000 -0.083 0.000 1.079 331 I HN 0.281 nan 8.210 nan 0.000 0.425 332 H N 0.663 119.695 119.070 -0.062 0.000 2.289 332 H HA -0.331 4.274 4.556 0.082 0.000 0.296 332 H C 2.402 177.711 175.328 -0.032 0.000 1.091 332 H CA 2.595 58.633 56.048 -0.016 0.000 1.274 332 H CB -0.217 29.597 29.762 0.087 0.000 1.364 332 H HN 0.409 nan 8.280 nan 0.000 0.490 333 H N -0.088 118.990 119.070 0.014 0.000 2.290 333 H HA -0.110 4.495 4.556 0.082 0.000 0.298 333 H C 2.314 177.521 175.328 -0.202 0.000 1.087 333 H CA 2.199 58.203 56.048 -0.074 0.000 1.291 333 H CB -0.532 29.239 29.762 0.015 0.000 1.369 333 H HN 0.419 nan 8.280 nan 0.000 0.492 334 L N -0.171 120.714 121.223 -0.563 0.000 2.042 334 L HA -0.181 4.209 4.340 0.084 0.000 0.210 334 L C 2.440 179.053 176.870 -0.428 0.000 1.076 334 L CA 1.010 55.483 54.840 -0.612 0.000 0.749 334 L CB -0.387 41.325 42.059 -0.578 0.000 0.893 334 L HN 0.385 nan 8.230 nan 0.000 0.432 335 I N -0.254 120.116 120.570 -0.333 0.000 2.286 335 I HA -0.215 4.005 4.170 0.084 0.000 0.245 335 I C 2.649 178.613 176.117 -0.254 0.000 1.104 335 I CA 1.380 62.527 61.300 -0.254 0.000 1.397 335 I CB -0.893 36.983 38.000 -0.206 0.000 1.072 335 I HN 0.278 nan 8.210 nan 0.000 0.417 336 R N 0.788 121.105 120.500 -0.306 0.000 2.120 336 R HA -0.081 4.309 4.340 0.084 0.000 0.234 336 R C 2.134 178.303 176.300 -0.218 0.000 1.123 336 R CA 1.397 57.341 56.100 -0.260 0.000 0.975 336 R CB -0.259 29.855 30.300 -0.310 0.000 0.866 336 R HN 0.327 nan 8.270 nan 0.000 0.446 337 A N -0.143 122.501 122.820 -0.293 0.000 2.208 337 A HA 0.200 4.570 4.320 0.084 0.000 0.209 337 A C 1.432 178.901 177.584 -0.192 0.000 1.161 337 A CA 0.746 52.633 52.037 -0.249 0.000 0.782 337 A CB -0.057 18.702 19.000 -0.401 0.000 0.816 337 A HN 0.432 nan 8.150 nan 0.000 0.477 338 G N -0.579 108.105 108.800 -0.194 0.000 2.143 338 G HA2 -0.206 3.805 3.960 0.084 0.000 0.248 338 G HA3 -0.206 3.805 3.960 0.084 0.000 0.248 338 G C -0.180 174.631 174.900 -0.148 0.000 0.991 338 G CA 0.253 45.266 45.100 -0.145 0.000 0.689 338 G HN 0.482 nan 8.290 nan 0.000 0.522 339 E N -0.469 119.613 120.200 -0.198 0.000 2.338 339 E HA 0.347 4.747 4.350 0.084 0.000 0.272 339 E C 1.766 178.273 176.600 -0.156 0.000 1.029 339 E CA -0.518 55.777 56.400 -0.175 0.000 0.872 339 E CB 0.784 30.347 29.700 -0.228 0.000 1.015 339 E HN 0.290 nan 8.360 nan 0.000 0.417 340 I N 2.215 122.716 120.570 -0.116 0.000 2.264 340 I HA -0.298 3.923 4.170 0.084 0.000 0.248 340 I C 2.208 178.252 176.117 -0.121 0.000 1.111 340 I CA 0.676 61.915 61.300 -0.101 0.000 1.382 340 I CB -0.136 37.821 38.000 -0.072 0.000 1.060 340 I HN 0.411 nan 8.210 nan 0.000 0.418 341 L N 1.039 122.178 121.223 -0.140 0.000 2.191 341 L HA -0.095 4.295 4.340 0.084 0.000 0.212 341 L C 2.272 179.003 176.870 -0.231 0.000 1.103 341 L CA 1.915 56.649 54.840 -0.177 0.000 0.769 341 L CB -1.064 40.886 42.059 -0.182 0.000 0.908 341 L HN 0.189 nan 8.230 nan 0.000 0.438 342 G N -1.082 107.570 108.800 -0.247 0.000 2.421 342 G HA2 -0.270 3.741 3.960 0.084 0.000 0.216 342 G HA3 -0.270 3.741 3.960 0.084 0.000 0.216 342 G C 1.621 176.416 174.900 -0.175 0.000 1.171 342 G CA 0.762 45.711 45.100 -0.251 0.000 0.775 342 G HN 0.597 nan 8.290 nan 0.000 0.543 343 A N 0.608 123.343 122.820 -0.142 0.000 1.902 343 A HA -0.002 4.368 4.320 0.084 0.000 0.217 343 A C 2.482 180.018 177.584 -0.082 0.000 1.181 343 A CA 1.919 53.896 52.037 -0.101 0.000 0.623 343 A CB -0.379 18.569 19.000 -0.086 0.000 0.818 343 A HN 0.395 nan 8.150 nan 0.000 0.443 344 M N -0.614 118.930 119.600 -0.093 0.000 2.065 344 M HA -0.134 4.397 4.480 0.084 0.000 0.259 344 M C 2.142 178.405 176.300 -0.062 0.000 1.069 344 M CA 1.580 56.837 55.300 -0.072 0.000 1.110 344 M CB -0.532 32.019 32.600 -0.083 0.000 1.328 344 M HN 0.363 nan 8.290 nan 0.000 0.405 345 L N -0.733 120.420 121.223 -0.116 0.000 2.056 345 L HA -0.182 4.208 4.340 0.084 0.000 0.207 345 L C 2.713 179.586 176.870 0.006 0.000 1.078 345 L CA 0.771 55.561 54.840 -0.084 0.000 0.749 345 L CB -0.596 41.335 42.059 -0.214 0.000 0.901 345 L HN 0.383 nan 8.230 nan 0.000 0.433 346 M N -0.559 119.021 119.600 -0.033 0.000 2.108 346 M HA -0.172 4.359 4.480 0.084 0.000 0.261 346 M C 2.320 178.659 176.300 0.064 0.000 1.066 346 M CA 1.897 57.202 55.300 0.008 0.000 1.107 346 M CB -1.367 31.203 32.600 -0.049 0.000 1.356 346 M HN 0.253 nan 8.290 nan 0.000 0.406 347 T N -0.194 114.374 114.554 0.024 0.000 2.777 347 T HA -0.154 4.246 4.350 0.084 0.000 0.266 347 T C 1.751 176.483 174.700 0.053 0.000 1.040 347 T CA 1.503 63.619 62.100 0.026 0.000 1.141 347 T CB -0.169 68.697 68.868 -0.003 0.000 0.868 347 T HN 0.481 nan 8.240 nan 0.000 0.444 348 E N 0.348 120.591 120.200 0.072 0.000 2.058 348 E HA -0.272 4.128 4.350 0.084 0.000 0.194 348 E C 2.083 178.763 176.600 0.133 0.000 0.997 348 E CA 1.494 57.954 56.400 0.100 0.000 0.801 348 E CB -0.157 29.612 29.700 0.114 0.000 0.746 348 E HN 0.675 nan 8.360 nan 0.000 0.450 349 H N 0.524 119.650 119.070 0.095 0.000 2.290 349 H HA -0.102 4.502 4.556 0.079 0.000 0.298 349 H C 1.902 177.327 175.328 0.160 0.000 1.087 349 H CA 2.402 58.526 56.048 0.127 0.000 1.291 349 H CB -0.145 29.675 29.762 0.097 0.000 1.369 349 H HN 0.143 nan 8.280 nan 0.000 0.492 350 N N 0.290 118.994 118.700 0.006 0.000 2.120 350 N HA -0.122 4.668 4.740 0.084 0.000 0.188 350 N C 1.913 177.421 175.510 -0.003 0.000 1.024 350 N CA 1.288 54.355 53.050 0.028 0.000 0.852 350 N CB -0.150 38.434 38.487 0.161 0.000 1.003 350 N HN 0.401 nan 8.380 nan 0.000 0.424 351 I N 0.914 121.475 120.570 -0.016 0.000 2.315 351 I HA -0.117 4.104 4.170 0.084 0.000 0.248 351 I C 2.179 178.326 176.117 0.051 0.000 1.117 351 I CA 0.607 61.906 61.300 -0.001 0.000 1.404 351 I CB -1.284 36.734 38.000 0.030 0.000 1.071 351 I HN 0.013 nan 8.210 nan 0.000 0.419 352 A N 0.702 123.544 122.820 0.036 0.000 1.902 352 A HA -0.268 4.102 4.320 0.084 0.000 0.217 352 A C 2.305 179.900 177.584 0.019 0.000 1.181 352 A CA 1.392 53.457 52.037 0.047 0.000 0.623 352 A CB -1.080 17.961 19.000 0.070 0.000 0.818 352 A HN 0.388 nan 8.150 nan 0.000 0.443 353 F N -0.828 118.997 119.950 -0.209 0.000 2.095 353 F HA -0.233 4.342 4.527 0.079 0.000 0.298 353 F C 2.159 177.852 175.800 -0.179 0.000 1.104 353 F CA 1.989 59.843 58.000 -0.243 0.000 1.232 353 F CB -0.438 38.322 39.000 -0.400 0.000 0.987 353 F HN 0.333 nan 8.300 nan 0.000 0.475 354 Y N 0.295 120.466 120.300 -0.215 0.000 2.165 354 Y HA -0.295 4.305 4.550 0.084 0.000 0.286 354 Y C 2.656 178.378 175.900 -0.296 0.000 1.155 354 Y CA 1.373 59.225 58.100 -0.413 0.000 1.164 354 Y CB -0.339 37.702 38.460 -0.698 0.000 0.978 354 Y HN 0.102 nan 8.280 nan 0.000 0.513 355 Q N 0.152 119.956 119.800 0.007 0.000 2.119 355 Q HA -0.218 4.172 4.340 0.084 0.000 0.201 355 Q C 2.058 178.036 176.000 -0.037 0.000 0.972 355 Q CA 1.430 57.251 55.803 0.030 0.000 0.847 355 Q CB -0.416 28.372 28.738 0.083 0.000 0.903 355 Q HN 0.643 nan 8.270 nan 0.000 0.433 356 Q N 0.165 119.922 119.800 -0.072 0.000 2.124 356 Q HA -0.136 4.254 4.340 0.084 0.000 0.202 356 Q C 2.133 178.097 176.000 -0.060 0.000 0.977 356 Q CA 0.905 56.687 55.803 -0.035 0.000 0.850 356 Q CB -0.173 28.597 28.738 0.053 0.000 0.901 356 Q HN 0.206 nan 8.270 nan 0.000 0.429 357 L N 0.166 121.264 121.223 -0.209 0.000 2.012 357 L HA -0.211 4.179 4.340 0.084 0.000 0.210 357 L C 1.995 178.748 176.870 -0.194 0.000 1.073 357 L CA 1.761 56.494 54.840 -0.179 0.000 0.748 357 L CB -0.333 41.427 42.059 -0.498 0.000 0.891 357 L HN 0.219 nan 8.230 nan 0.000 0.431 358 M N -1.009 118.486 119.600 -0.175 0.000 2.159 358 M HA -0.168 4.363 4.480 0.084 0.000 0.263 358 M C 2.328 178.550 176.300 -0.130 0.000 1.063 358 M CA 1.540 56.770 55.300 -0.117 0.000 1.110 358 M CB -1.477 31.121 32.600 -0.004 0.000 1.374 358 M HN 0.414 nan 8.290 nan 0.000 0.411 359 Q N 0.984 120.716 119.800 -0.112 0.000 2.079 359 Q HA -0.091 4.300 4.340 0.084 0.000 0.200 359 Q C 1.859 177.737 176.000 -0.204 0.000 0.974 359 Q CA 1.745 57.478 55.803 -0.117 0.000 0.840 359 Q CB -0.076 28.619 28.738 -0.072 0.000 0.898 359 Q HN 0.469 nan 8.270 nan 0.000 0.430 360 K N -0.351 119.882 120.400 -0.277 0.000 2.097 360 K HA -0.057 4.313 4.320 0.084 0.000 0.205 360 K C 2.032 178.209 176.600 -0.705 0.000 1.050 360 K CA 1.302 57.289 56.287 -0.499 0.000 0.938 360 K CB -0.119 32.013 32.500 -0.613 0.000 0.718 360 K HN 0.265 nan 8.250 nan 0.000 0.442 361 I N 0.806 121.035 120.570 -0.569 0.000 2.179 361 I HA -0.283 3.937 4.170 0.084 0.000 0.242 361 I C 2.417 178.288 176.117 -0.410 0.000 1.088 361 I CA 1.267 62.277 61.300 -0.483 0.000 1.357 361 I CB -0.232 37.576 38.000 -0.320 0.000 1.051 361 I HN 0.132 nan 8.210 nan 0.000 0.409 362 R N 0.622 120.953 120.500 -0.282 0.000 2.083 362 R HA -0.185 4.205 4.340 0.084 0.000 0.237 362 R C 1.960 178.149 176.300 -0.186 0.000 1.137 362 R CA 1.748 57.725 56.100 -0.205 0.000 0.951 362 R CB -0.435 29.788 30.300 -0.129 0.000 0.851 362 R HN 0.393 nan 8.270 nan 0.000 0.434 363 D N 0.072 120.358 120.400 -0.190 0.000 2.117 363 D HA -0.112 4.578 4.640 0.084 0.000 0.198 363 D C 2.078 178.299 176.300 -0.132 0.000 0.982 363 D CA 1.798 55.710 54.000 -0.146 0.000 0.828 363 D CB -0.145 40.568 40.800 -0.145 0.000 0.967 363 D HN 0.230 nan 8.370 nan 0.000 0.464 364 S N 0.391 115.985 115.700 -0.177 0.000 2.383 364 S HA -0.089 4.431 4.470 0.084 0.000 0.227 364 S C 2.291 176.894 174.600 0.005 0.000 1.026 364 S CA 0.477 58.644 58.200 -0.056 0.000 0.981 364 S CB -0.594 62.608 63.200 0.004 0.000 0.818 364 S HN 0.226 nan 8.310 nan 0.000 0.472 365 I N 1.818 122.325 120.570 -0.105 0.000 2.202 365 I HA -0.131 4.089 4.170 0.084 0.000 0.242 365 I C 2.996 179.083 176.117 -0.051 0.000 1.091 365 I CA 1.355 62.602 61.300 -0.087 0.000 1.368 365 I CB -0.591 37.266 38.000 -0.239 0.000 1.058 365 I HN 0.392 nan 8.210 nan 0.000 0.410 366 S N 0.405 116.060 115.700 -0.075 0.000 2.399 366 S HA -0.194 4.326 4.470 0.084 0.000 0.231 366 S C 1.701 176.283 174.600 -0.031 0.000 1.022 366 S CA 1.476 59.643 58.200 -0.055 0.000 0.983 366 S CB -0.262 62.900 63.200 -0.064 0.000 0.803 366 S HN 0.454 nan 8.310 nan 0.000 0.480 367 E N -0.345 119.841 120.200 -0.023 0.000 2.489 367 E HA 0.221 4.621 4.350 0.084 0.000 0.193 367 E C 1.018 177.628 176.600 0.017 0.000 1.057 367 E CA 0.247 56.644 56.400 -0.006 0.000 0.866 367 E CB -0.011 29.683 29.700 -0.010 0.000 0.916 367 E HN 0.589 nan 8.360 nan 0.000 0.500 368 G N 2.913 111.731 108.800 0.031 0.000 2.221 368 G HA2 -0.343 3.667 3.960 0.084 0.000 0.265 368 G HA3 -0.343 3.667 3.960 0.084 0.000 0.265 368 G C 0.561 175.507 174.900 0.076 0.000 1.041 368 G CA 0.726 45.858 45.100 0.053 0.000 0.807 368 G HN 0.437 nan 8.290 nan 0.000 0.502 369 R N -1.574 118.988 120.500 0.104 0.000 2.642 369 R HA 0.459 4.849 4.340 0.084 0.000 0.435 369 R C 1.288 177.711 176.300 0.205 0.000 1.046 369 R CA -0.229 55.941 56.100 0.118 0.000 1.103 369 R CB -0.146 30.206 30.300 0.085 0.000 1.425 369 R HN 0.225 nan 8.270 nan 0.000 0.586 370 F N 2.275 122.263 119.950 0.063 0.000 2.163 370 F HA 0.062 4.639 4.527 0.084 0.000 0.297 370 F C 2.453 178.340 175.800 0.145 0.000 1.094 370 F CA 1.583 59.650 58.000 0.111 0.000 1.290 370 F CB -0.375 38.662 39.000 0.061 0.000 1.017 370 F HN 0.295 nan 8.300 nan 0.000 0.483 371 S N 0.048 115.710 115.700 -0.064 0.000 2.365 371 S HA -0.348 4.173 4.470 0.084 0.000 0.225 371 S C 2.024 176.557 174.600 -0.113 0.000 1.039 371 S CA 2.008 60.108 58.200 -0.166 0.000 1.033 371 S CB -0.917 62.251 63.200 -0.053 0.000 0.887 371 S HN 0.493 nan 8.310 nan 0.000 0.447 372 Q N -0.319 119.477 119.800 -0.007 0.000 2.079 372 Q HA -0.008 4.382 4.340 0.084 0.000 0.200 372 Q C 1.668 177.686 176.000 0.029 0.000 0.974 372 Q CA 1.610 57.422 55.803 0.014 0.000 0.840 372 Q CB -0.551 28.214 28.738 0.044 0.000 0.898 372 Q HN 0.691 nan 8.270 nan 0.000 0.430 373 F N 0.345 120.278 119.950 -0.028 0.000 2.095 373 F HA -0.144 4.433 4.527 0.083 0.000 0.298 373 F C 1.901 177.712 175.800 0.018 0.000 1.104 373 F CA 1.746 59.755 58.000 0.016 0.000 1.232 373 F CB -0.798 38.261 39.000 0.099 0.000 0.987 373 F HN 0.132 nan 8.300 nan 0.000 0.475 374 A N 0.242 122.903 122.820 -0.264 0.000 1.883 374 A HA -0.231 4.139 4.320 0.084 0.000 0.217 374 A C 2.271 179.770 177.584 -0.141 0.000 1.186 374 A CA 2.862 54.727 52.037 -0.287 0.000 0.624 374 A CB -1.689 17.076 19.000 -0.392 0.000 0.822 374 A HN 0.576 nan 8.150 nan 0.000 0.444 375 Q N -0.201 119.523 119.800 -0.127 0.000 2.030 375 Q HA -0.276 4.114 4.340 0.084 0.000 0.204 375 Q C 1.781 177.741 176.000 -0.067 0.000 0.986 375 Q CA 2.083 57.848 55.803 -0.064 0.000 0.843 375 Q CB -1.084 27.623 28.738 -0.051 0.000 0.904 375 Q HN 0.747 nan 8.270 nan 0.000 0.420 376 D N -0.624 119.715 120.400 -0.103 0.000 2.117 376 D HA -0.087 4.604 4.640 0.084 0.000 0.197 376 D C 1.639 177.861 176.300 -0.131 0.000 0.987 376 D CA 1.357 55.299 54.000 -0.097 0.000 0.829 376 D CB -0.544 40.209 40.800 -0.080 0.000 0.961 376 D HN 0.581 nan 8.370 nan 0.000 0.460 377 F N 2.116 121.814 119.950 -0.420 0.000 2.095 377 F HA -0.175 4.401 4.527 0.083 0.000 0.298 377 F C 2.273 178.039 175.800 -0.058 0.000 1.104 377 F CA 1.544 59.338 58.000 -0.343 0.000 1.232 377 F CB -0.056 38.518 39.000 -0.710 0.000 0.987 377 F HN -0.215 nan 8.300 nan 0.000 0.475 378 R N 0.289 120.661 120.500 -0.214 0.000 2.075 378 R HA -0.069 4.321 4.340 0.084 0.000 0.232 378 R C 2.489 178.817 176.300 0.048 0.000 1.126 378 R CA 1.123 57.191 56.100 -0.052 0.000 0.963 378 R CB -0.890 29.538 30.300 0.212 0.000 0.858 378 R HN 0.437 nan 8.270 nan 0.000 0.435 379 A N 1.116 123.937 122.820 0.002 0.000 1.933 379 A HA -0.183 4.187 4.320 0.084 0.000 0.218 379 A C 2.130 179.720 177.584 0.010 0.000 1.175 379 A CA 1.332 53.386 52.037 0.028 0.000 0.628 379 A CB -0.361 18.642 19.000 0.006 0.000 0.814 379 A HN 0.222 nan 8.150 nan 0.000 0.444 380 R N -2.620 117.853 120.500 -0.046 0.000 2.090 380 R HA -0.037 4.353 4.340 0.084 0.000 0.219 380 R C 2.017 178.276 176.300 -0.070 0.000 1.100 380 R CA 1.058 57.143 56.100 -0.025 0.000 0.991 380 R CB -0.382 29.926 30.300 0.014 0.000 0.893 380 R HN 0.525 nan 8.270 nan 0.000 0.443 381 Y N -0.109 119.945 120.300 -0.409 0.000 2.274 381 Y HA -0.126 4.473 4.550 0.082 0.000 0.290 381 Y C 0.544 176.070 175.900 -0.623 0.000 1.145 381 Y CA 1.540 59.270 58.100 -0.617 0.000 1.203 381 Y CB 0.189 37.919 38.460 -1.217 0.000 0.984 381 Y HN 0.018 nan 8.280 nan 0.000 0.533 382 F N -0.340 119.584 119.950 -0.044 0.000 2.647 382 F HA 0.456 5.034 4.527 0.085 0.000 0.300 382 F C 1.220 176.989 175.800 -0.052 0.000 1.106 382 F CA -0.296 57.674 58.000 -0.051 0.000 1.313 382 F CB -0.922 38.079 39.000 0.003 0.000 1.007 382 F HN -0.020 nan 8.300 nan 0.000 0.536 383 A N 0.000 122.855 122.820 0.059 0.000 2.254 383 A HA 0.000 4.370 4.320 0.084 0.000 0.244 383 A CA 0.000 52.060 52.037 0.039 0.000 0.836 383 A CB 0.000 19.007 19.000 0.011 0.000 0.831 383 A HN 0.000 nan 8.150 nan 0.000 0.486