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 1sez_1_B DATA FIRST_RESID 13 DATA SEQUENCE AKRVAVIGAG VSGLAAAYKL KIHGLNVTVF EAEGKAGGKL RSVSQDGLIW DATA SEQUENCE DEGANTXTES EGDVTFLIDS LGLREKQQFP LSQNKRYIAR NGTPVLLPSN DATA SEQUENCE PIDLIKSNFL STGSKLQXLL EPILWXXXXX XXXXXSHESV SGFFQRHFGK DATA SEQUENCE EVVDYLIDPF VAGTCGGDPD SLSXHHSFPE LWNLEKRFGS VILGAIRSKL DATA SEQUENCE SXXXXXXXXX XKTSANKKRQ RGSFSFLGGX QTLTDAICKD LREDELRLNS DATA SEQUENCE RVLELSCSCT EDSAIDSWSI ISASPHKRQS EEESFDAVIX TAPLCDVKSX DATA SEQUENCE KIAKRGNPFL LNFIPEVDYV PLSVVITTFK RENVKYPLEG FGVLVPSKEQ DATA SEQUENCE QHGLKTLGTL FSSXXFPDRA PNNVYLYTTF VGGSRNRELA KASRTELKEI DATA SEQUENCE VTSDLKQLLG AEGEPTYVNH LYWSKAFPLY GHNYDSVLDA IDKXEKNLPG DATA SEQUENCE LFYAGNHRGG LSVGKALSSG CNAADLVISY LESVS 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 13 A HA 0.000 nan 4.320 nan 0.000 0.244 13 A C 0.000 177.608 177.584 0.041 0.000 1.274 13 A CA 0.000 52.051 52.037 0.023 0.000 0.836 13 A CB 0.000 19.006 19.000 0.009 0.000 0.831 14 K N 1.940 122.378 120.400 0.063 0.000 2.292 14 K HA 0.355 4.675 4.320 0.001 0.000 0.290 14 K C -0.100 176.579 176.600 0.132 0.000 1.083 14 K CA -0.040 56.306 56.287 0.099 0.000 0.918 14 K CB 0.139 32.702 32.500 0.105 0.000 1.089 14 K HN 0.406 nan 8.250 nan 0.000 0.473 15 R N 3.442 124.040 120.500 0.164 0.000 2.216 15 R HA 0.268 4.608 4.340 0.001 0.000 0.332 15 R C -0.834 175.734 176.300 0.446 0.000 1.056 15 R CA -0.642 55.623 56.100 0.275 0.000 0.901 15 R CB 0.914 31.265 30.300 0.085 0.000 1.039 15 R HN 0.263 nan 8.270 nan 0.000 0.456 16 V N 2.742 122.889 119.914 0.388 0.000 2.376 16 V HA 0.398 4.519 4.120 0.001 0.000 0.287 16 V C 0.106 176.231 176.094 0.051 0.000 1.015 16 V CA -0.951 61.472 62.300 0.205 0.000 0.834 16 V CB 1.458 33.342 31.823 0.100 0.000 1.001 16 V HN 0.818 nan 8.190 nan 0.000 0.428 17 A N 4.910 127.570 122.820 -0.267 0.000 2.301 17 A HA 0.856 5.177 4.320 0.001 0.000 0.312 17 A C -0.533 176.884 177.584 -0.278 0.000 1.182 17 A CA -0.484 51.241 52.037 -0.520 0.000 0.826 17 A CB 1.237 19.462 19.000 -1.292 0.000 1.134 17 A HN 0.711 nan 8.150 nan 0.000 0.501 18 V N 3.983 123.815 119.914 -0.136 0.000 2.444 18 V HA 0.316 4.436 4.120 0.001 0.000 0.294 18 V C -0.262 175.795 176.094 -0.061 0.000 1.022 18 V CA -0.190 62.041 62.300 -0.115 0.000 0.850 18 V CB 1.349 33.126 31.823 -0.077 0.000 0.992 18 V HN 0.753 nan 8.190 nan 0.000 0.426 19 I N 4.837 125.327 120.570 -0.134 0.000 2.291 19 I HA 0.661 4.831 4.170 0.001 0.000 0.292 19 I C 0.797 176.858 176.117 -0.093 0.000 1.064 19 I CA 0.225 61.461 61.300 -0.106 0.000 1.269 19 I CB 0.885 38.762 38.000 -0.205 0.000 1.418 19 I HN 0.924 nan 8.210 nan 0.000 0.485 20 G N 4.397 113.177 108.800 -0.034 0.000 3.226 20 G HA2 0.101 4.062 3.960 0.001 0.000 0.685 20 G HA3 0.101 4.062 3.960 0.001 0.000 0.685 20 G C -0.293 174.582 174.900 -0.042 0.000 1.207 20 G CA -0.360 44.713 45.100 -0.045 0.000 0.877 20 G HN 0.816 nan 8.290 nan 0.000 0.585 21 A N 1.542 124.343 122.820 -0.031 0.000 2.684 21 A HA 0.741 5.062 4.320 0.001 0.000 0.288 21 A C 1.507 179.069 177.584 -0.037 0.000 1.337 21 A CA 1.169 53.185 52.037 -0.035 0.000 0.946 21 A CB -0.295 18.685 19.000 -0.034 0.000 1.093 21 A HN 2.134 nan 8.150 nan 0.000 0.543 22 G N -1.417 107.358 108.800 -0.042 0.000 2.611 22 G HA2 0.286 4.246 3.960 0.001 0.000 0.273 22 G HA3 0.286 4.246 3.960 0.001 0.000 0.273 22 G C 1.191 176.063 174.900 -0.047 0.000 1.305 22 G CA 0.292 45.366 45.100 -0.043 0.000 1.010 22 G HN 0.449 nan 8.290 nan 0.000 0.509 23 V N -0.162 119.723 119.914 -0.048 0.000 2.332 23 V HA -0.190 3.931 4.120 0.001 0.000 0.248 23 V C 2.973 179.046 176.094 -0.035 0.000 1.055 23 V CA 3.116 65.389 62.300 -0.045 0.000 1.038 23 V CB -0.382 31.417 31.823 -0.040 0.000 0.651 23 V HN 0.782 nan 8.190 nan 0.000 0.450 24 S N -0.093 115.586 115.700 -0.036 0.000 2.353 24 S HA -0.128 4.343 4.470 0.001 0.000 0.222 24 S C 2.030 176.603 174.600 -0.045 0.000 1.035 24 S CA 2.077 60.255 58.200 -0.036 0.000 1.025 24 S CB -0.929 62.244 63.200 -0.046 0.000 0.902 24 S HN 0.793 nan 8.310 nan 0.000 0.440 25 G N 1.442 110.208 108.800 -0.056 0.000 2.421 25 G HA2 -0.097 3.864 3.960 0.001 0.000 0.216 25 G HA3 -0.097 3.864 3.960 0.001 0.000 0.216 25 G C 1.462 176.345 174.900 -0.029 0.000 1.171 25 G CA 0.921 45.987 45.100 -0.056 0.000 0.775 25 G HN 0.527 nan 8.290 nan 0.000 0.543 26 L N 0.667 121.876 121.223 -0.024 0.000 2.131 26 L HA -0.048 4.293 4.340 0.001 0.000 0.210 26 L C 3.373 180.262 176.870 0.032 0.000 1.092 26 L CA 0.886 55.724 54.840 -0.005 0.000 0.759 26 L CB -0.374 41.664 42.059 -0.035 0.000 0.903 26 L HN 0.318 nan 8.230 nan 0.000 0.435 27 A N 0.134 122.963 122.820 0.016 0.000 1.873 27 A HA -0.120 4.200 4.320 0.001 0.000 0.215 27 A C 2.563 180.194 177.584 0.080 0.000 1.186 27 A CA 1.609 53.678 52.037 0.052 0.000 0.616 27 A CB -0.681 18.334 19.000 0.026 0.000 0.823 27 A HN 0.369 nan 8.150 nan 0.000 0.442 28 A N -0.113 122.720 122.820 0.021 0.000 1.877 28 A HA 0.158 4.478 4.320 0.001 0.000 0.216 28 A C 2.485 180.076 177.584 0.011 0.000 1.186 28 A CA 2.129 54.161 52.037 -0.009 0.000 0.620 28 A CB -1.012 17.956 19.000 -0.052 0.000 0.822 28 A HN 1.082 nan 8.150 nan 0.000 0.443 29 A N -2.027 120.811 122.820 0.029 0.000 2.015 29 A HA -0.034 4.287 4.320 0.001 0.000 0.219 29 A C 2.090 179.728 177.584 0.089 0.000 1.163 29 A CA 1.562 53.621 52.037 0.037 0.000 0.646 29 A CB -0.635 18.381 19.000 0.027 0.000 0.806 29 A HN 0.692 nan 8.150 nan 0.000 0.448 30 Y N 0.269 120.569 120.300 0.001 0.000 2.176 30 Y HA -0.078 4.472 4.550 0.001 0.000 0.291 30 Y C 2.305 178.235 175.900 0.050 0.000 1.122 30 Y CA 2.160 60.278 58.100 0.030 0.000 1.128 30 Y CB -0.220 38.267 38.460 0.045 0.000 1.005 30 Y HN 0.202 nan 8.280 nan 0.000 0.509 31 K N 0.511 121.000 120.400 0.148 0.000 2.113 31 K HA -0.182 4.139 4.320 0.001 0.000 0.208 31 K C 1.958 178.531 176.600 -0.045 0.000 1.047 31 K CA 1.771 58.074 56.287 0.028 0.000 0.928 31 K CB -0.655 31.840 32.500 -0.008 0.000 0.716 31 K HN 0.434 nan 8.250 nan 0.000 0.446 32 L N 0.207 121.408 121.223 -0.036 0.000 1.961 32 L HA -0.206 4.134 4.340 0.001 0.000 0.210 32 L C 2.498 179.363 176.870 -0.008 0.000 1.072 32 L CA 1.740 56.564 54.840 -0.027 0.000 0.749 32 L CB -0.537 41.510 42.059 -0.019 0.000 0.889 32 L HN 0.195 nan 8.230 nan 0.000 0.432 33 K N 0.887 121.258 120.400 -0.049 0.000 2.089 33 K HA -0.228 4.092 4.320 0.001 0.000 0.210 33 K C 1.815 178.357 176.600 -0.095 0.000 1.048 33 K CA 1.995 58.240 56.287 -0.069 0.000 0.926 33 K CB -0.342 32.099 32.500 -0.097 0.000 0.714 33 K HN 0.488 nan 8.250 nan 0.000 0.448 34 I N -1.776 118.690 120.570 -0.173 0.000 3.605 34 I HA -0.028 4.143 4.170 0.001 0.000 0.301 34 I C 0.742 176.857 176.117 -0.003 0.000 1.267 34 I CA 0.771 61.993 61.300 -0.130 0.000 1.236 34 I CB -0.190 37.696 38.000 -0.190 0.000 1.010 34 I HN 0.156 nan 8.210 nan 0.000 0.491 35 H N 0.955 119.980 119.070 -0.074 0.000 2.790 35 H HA 0.289 4.845 4.556 0.001 0.000 0.232 35 H C 1.018 176.327 175.328 -0.031 0.000 1.313 35 H CA 0.346 56.367 56.048 -0.044 0.000 1.011 35 H CB 0.180 29.916 29.762 -0.043 0.000 2.105 35 H HN 0.486 nan 8.280 nan 0.000 0.580 36 G N 1.549 110.333 108.800 -0.027 0.000 5.306 36 G HA2 -0.346 3.615 3.960 0.001 0.000 0.318 36 G HA3 -0.346 3.615 3.960 0.001 0.000 0.318 36 G C 0.336 175.260 174.900 0.040 0.000 1.413 36 G CA 0.068 45.159 45.100 -0.015 0.000 0.981 36 G HN 0.442 nan 8.290 nan 0.000 0.788 37 L N 1.929 123.210 121.223 0.097 0.000 4.017 37 L HA -0.144 4.197 4.340 0.001 0.000 0.482 37 L C 0.406 177.315 176.870 0.064 0.000 1.045 37 L CA 0.289 55.184 54.840 0.092 0.000 0.650 37 L CB -0.411 41.711 42.059 0.106 0.000 0.973 37 L HN 0.517 nan 8.230 nan 0.000 0.913 38 N N 3.217 121.958 118.700 0.068 0.000 2.518 38 N HA 0.377 5.117 4.740 0.001 0.000 0.266 38 N C -0.203 175.363 175.510 0.093 0.000 1.196 38 N CA -0.217 52.872 53.050 0.065 0.000 0.947 38 N CB 1.830 40.355 38.487 0.064 0.000 1.098 38 N HN 0.256 nan 8.380 nan 0.000 0.450 39 V N 0.869 120.828 119.914 0.076 0.000 3.040 39 V HA 0.539 4.659 4.120 0.001 0.000 0.312 39 V C 0.031 176.170 176.094 0.075 0.000 1.115 39 V CA -0.651 61.698 62.300 0.082 0.000 0.998 39 V CB 2.383 34.227 31.823 0.036 0.000 1.042 39 V HN 0.625 nan 8.190 nan 0.000 0.433 40 T N 1.634 116.229 114.554 0.068 0.000 2.921 40 T HA 0.591 4.941 4.350 0.001 0.000 0.297 40 T C -1.090 173.539 174.700 -0.117 0.000 1.013 40 T CA -0.370 61.717 62.100 -0.021 0.000 0.990 40 T CB 1.745 70.689 68.868 0.127 0.000 1.023 40 T HN 0.402 nan 8.240 nan 0.000 0.447 41 V N 4.183 123.967 119.914 -0.217 0.000 2.407 41 V HA 0.514 4.635 4.120 0.001 0.000 0.291 41 V C -0.956 174.983 176.094 -0.259 0.000 1.018 41 V CA -0.887 61.326 62.300 -0.145 0.000 0.842 41 V CB 0.730 32.503 31.823 -0.084 0.000 0.996 41 V HN 0.782 nan 8.190 nan 0.000 0.426 42 F N 3.077 122.966 119.950 -0.102 0.000 2.411 42 F HA 0.620 5.148 4.527 0.001 0.000 0.350 42 F C 0.439 176.194 175.800 -0.075 0.000 1.114 42 F CA -0.559 57.394 58.000 -0.080 0.000 1.135 42 F CB 1.309 40.251 39.000 -0.097 0.000 1.120 42 F HN 0.488 nan 8.300 nan 0.000 0.495 43 E N 2.269 122.508 120.200 0.064 0.000 2.235 43 E HA 0.558 4.909 4.350 0.001 0.000 0.252 43 E C 0.305 176.920 176.600 0.026 0.000 0.886 43 E CA -0.535 55.880 56.400 0.025 0.000 0.767 43 E CB 1.323 31.015 29.700 -0.014 0.000 1.205 43 E HN 0.581 nan 8.360 nan 0.000 0.421 44 A N 4.020 126.855 122.820 0.025 0.000 1.948 44 A HA -0.155 4.166 4.320 0.001 0.000 0.220 44 A C 1.039 178.623 177.584 0.001 0.000 1.177 44 A CA 1.409 53.455 52.037 0.015 0.000 0.636 44 A CB -0.370 18.631 19.000 0.002 0.000 0.815 44 A HN 0.565 nan 8.150 nan 0.000 0.449 45 E N -1.803 118.394 120.200 -0.006 0.000 2.342 45 E HA 0.485 4.836 4.350 0.001 0.000 0.257 45 E C 1.437 178.026 176.600 -0.020 0.000 1.150 45 E CA 0.536 56.926 56.400 -0.016 0.000 0.926 45 E CB 0.735 30.425 29.700 -0.016 0.000 1.074 45 E HN 0.102 nan 8.360 nan 0.000 0.449 46 G N 1.414 110.197 108.800 -0.027 0.000 2.422 46 G HA2 -0.146 3.815 3.960 0.001 0.000 0.218 46 G HA3 -0.146 3.815 3.960 0.001 0.000 0.218 46 G C -0.287 174.594 174.900 -0.033 0.000 1.140 46 G CA 0.717 45.800 45.100 -0.029 0.000 0.775 46 G HN 0.404 nan 8.290 nan 0.000 0.545 47 K N -0.684 119.696 120.400 -0.034 0.000 2.259 47 K HA 0.780 5.100 4.320 0.001 0.000 0.249 47 K C 0.931 177.512 176.600 -0.031 0.000 0.942 47 K CA -0.293 55.973 56.287 -0.036 0.000 0.816 47 K CB 2.332 34.807 32.500 -0.042 0.000 1.155 47 K HN -0.117 nan 8.250 nan 0.000 0.428 48 A N 3.191 125.990 122.820 -0.037 0.000 1.849 48 A HA -0.072 4.249 4.320 0.001 0.000 0.217 48 A C 1.304 178.870 177.584 -0.029 0.000 1.202 48 A CA 1.586 53.602 52.037 -0.036 0.000 0.629 48 A CB -1.713 17.260 19.000 -0.045 0.000 0.834 48 A HN 1.009 nan 8.150 nan 0.000 0.447 49 G N -0.917 107.864 108.800 -0.032 0.000 2.572 49 G HA2 0.208 4.169 3.960 0.001 0.000 0.254 49 G HA3 0.208 4.169 3.960 0.001 0.000 0.254 49 G C 0.760 175.661 174.900 0.003 0.000 0.688 49 G CA 0.444 45.532 45.100 -0.020 0.000 1.025 49 G HN 0.893 nan 8.290 nan 0.000 0.313 50 G N 1.622 110.416 108.800 -0.009 0.000 3.287 50 G HA2 0.183 4.143 3.960 0.001 0.000 0.172 50 G HA3 0.183 4.143 3.960 0.001 0.000 0.172 50 G C 1.284 176.194 174.900 0.016 0.000 1.922 50 G CA -0.013 45.083 45.100 -0.007 0.000 0.952 50 G HN 0.505 nan 8.290 nan 0.000 0.520 51 K N 0.199 120.548 120.400 -0.085 0.000 2.487 51 K HA 0.231 4.551 4.320 0.001 0.000 0.192 51 K C 0.729 177.249 176.600 -0.133 0.000 1.027 51 K CA -0.067 56.074 56.287 -0.243 0.000 1.054 51 K CB -0.260 31.969 32.500 -0.451 0.000 0.824 51 K HN 0.204 nan 8.250 nan 0.000 0.510 52 L N 1.677 122.870 121.223 -0.049 0.000 2.315 52 L HA 0.251 4.591 4.340 0.001 0.000 0.283 52 L C 0.341 177.232 176.870 0.035 0.000 1.089 52 L CA -0.144 54.686 54.840 -0.017 0.000 0.833 52 L CB 0.472 42.511 42.059 -0.034 0.000 1.170 52 L HN -0.095 nan 8.230 nan 0.000 0.442 53 R N 2.489 123.031 120.500 0.071 0.000 2.713 53 R HA 0.295 4.635 4.340 0.001 0.000 0.282 53 R C -1.203 175.099 176.300 0.004 0.000 1.472 53 R CA -0.176 55.968 56.100 0.072 0.000 1.060 53 R CB 1.474 31.898 30.300 0.207 0.000 1.237 53 R HN 0.592 nan 8.270 nan 0.000 0.484 54 S N 1.835 117.491 115.700 -0.074 0.000 2.541 54 S HA 0.471 4.942 4.470 0.001 0.000 0.283 54 S C -0.522 173.903 174.600 -0.292 0.000 1.196 54 S CA -0.529 57.574 58.200 -0.161 0.000 1.062 54 S CB 2.054 65.177 63.200 -0.128 0.000 1.009 54 S HN 0.280 nan 8.310 nan 0.000 0.502 55 V N 2.484 122.071 119.914 -0.545 0.000 2.483 55 V HA 0.462 4.582 4.120 0.001 0.000 0.297 55 V C -0.214 175.471 176.094 -0.682 0.000 1.027 55 V CA -0.516 61.351 62.300 -0.722 0.000 0.855 55 V CB 1.912 33.016 31.823 -1.197 0.000 0.995 55 V HN 0.831 nan 8.190 nan 0.000 0.424 56 S N 5.774 121.237 115.700 -0.396 0.000 2.328 56 S HA 0.523 4.993 4.470 0.001 0.000 0.204 56 S C -0.464 174.032 174.600 -0.172 0.000 1.475 56 S CA -0.604 57.449 58.200 -0.245 0.000 1.148 56 S CB -0.076 63.033 63.200 -0.153 0.000 1.077 56 S HN 0.858 nan 8.310 nan 0.000 0.479 57 Q N 1.169 120.879 119.800 -0.150 0.000 2.456 57 Q HA 0.573 4.913 4.340 0.001 0.000 0.284 57 Q C -1.390 174.628 176.000 0.030 0.000 1.061 57 Q CA -1.029 54.752 55.803 -0.038 0.000 0.799 57 Q CB 0.666 29.399 28.738 -0.009 0.000 1.445 57 Q HN 0.259 nan 8.270 nan 0.000 0.411 58 D N 0.531 120.927 120.400 -0.007 0.000 2.705 58 D HA -0.140 4.500 4.640 0.001 0.000 0.240 58 D C 0.807 177.050 176.300 -0.095 0.000 1.137 58 D CA 1.511 55.465 54.000 -0.077 0.000 0.677 58 D CB -1.637 39.035 40.800 -0.213 0.000 1.049 58 D HN 1.198 nan 8.370 nan 0.000 0.427 59 G N -1.355 107.416 108.800 -0.048 0.000 2.216 59 G HA2 -0.344 3.616 3.960 0.001 0.000 0.269 59 G HA3 -0.344 3.616 3.960 0.001 0.000 0.269 59 G C 0.348 175.241 174.900 -0.013 0.000 0.981 59 G CA 0.950 46.029 45.100 -0.036 0.000 0.658 59 G HN 0.600 nan 8.290 nan 0.000 0.539 60 L N -0.481 120.750 121.223 0.013 0.000 2.334 60 L HA 0.811 5.152 4.340 0.001 0.000 0.270 60 L C 0.382 177.340 176.870 0.148 0.000 1.018 60 L CA -1.218 53.689 54.840 0.112 0.000 0.811 60 L CB 1.849 44.017 42.059 0.180 0.000 1.271 60 L HN -0.018 nan 8.230 nan 0.000 0.443 61 I N 1.162 121.849 120.570 0.194 0.000 2.529 61 I HA 0.304 4.475 4.170 0.001 0.000 0.284 61 I C -1.335 174.915 176.117 0.221 0.000 1.088 61 I CA -0.308 61.043 61.300 0.086 0.000 1.062 61 I CB 1.619 39.629 38.000 0.017 0.000 1.218 61 I HN 0.681 nan 8.210 nan 0.000 0.442 62 W N 6.000 127.312 121.300 0.020 0.000 3.032 62 W HA 0.665 5.325 4.660 0.001 0.000 0.341 62 W C -1.863 174.681 176.519 0.041 0.000 1.202 62 W CA -0.717 56.652 57.345 0.041 0.000 1.132 62 W CB 0.778 30.284 29.460 0.076 0.000 1.465 62 W HN 0.109 nan 8.180 nan 0.000 0.576 63 D N 1.381 121.981 120.400 0.334 0.000 2.408 63 D HA 0.147 4.787 4.640 0.001 0.000 0.243 63 D C 0.268 176.816 176.300 0.414 0.000 1.075 63 D CA -0.295 53.839 54.000 0.222 0.000 0.832 63 D CB 1.933 42.827 40.800 0.155 0.000 1.162 63 D HN 0.641 nan 8.370 nan 0.000 0.515 64 E N 0.733 121.162 120.200 0.382 0.000 2.442 64 E HA 0.117 4.468 4.350 0.001 0.000 0.195 64 E C 1.138 178.084 176.600 0.578 0.000 1.030 64 E CA -0.112 56.586 56.400 0.497 0.000 0.869 64 E CB 0.939 30.889 29.700 0.416 0.000 0.857 64 E HN 0.464 nan 8.360 nan 0.000 0.505 65 G N 1.319 110.341 108.800 0.369 0.000 3.414 65 G HA2 0.518 4.478 3.960 0.001 0.000 0.189 65 G HA3 0.518 4.478 3.960 0.001 0.000 0.189 65 G C -0.543 174.392 174.900 0.057 0.000 1.329 65 G CA -0.132 45.035 45.100 0.113 0.000 0.851 65 G HN 0.187 nan 8.290 nan 0.000 0.671 66 A N 0.162 122.952 122.820 -0.051 0.000 2.524 66 A HA 0.296 4.617 4.320 0.001 0.000 0.250 66 A C 1.008 178.625 177.584 0.056 0.000 1.078 66 A CA 0.051 52.075 52.037 -0.022 0.000 0.761 66 A CB -0.020 18.939 19.000 -0.069 0.000 1.012 66 A HN 0.562 nan 8.150 nan 0.000 0.500 67 N N 0.204 118.960 118.700 0.094 0.000 2.432 67 N HA 0.013 4.754 4.740 0.001 0.000 0.174 67 N C 0.449 175.994 175.510 0.058 0.000 1.037 67 N CA 1.021 54.145 53.050 0.122 0.000 0.892 67 N CB 0.468 39.096 38.487 0.234 0.000 1.049 67 N HN 0.712 nan 8.380 nan 0.000 0.442 71 E N 0.537 120.879 120.200 0.236 0.000 3.170 71 E HA 0.480 4.830 4.350 0.001 0.000 0.212 71 E C -0.125 176.574 176.600 0.165 0.000 1.143 71 E CA -0.613 55.932 56.400 0.241 0.000 1.139 71 E CB 0.291 30.187 29.700 0.326 0.000 1.346 71 E HN 0.319 nan 8.360 nan 0.000 0.432 72 S N 1.047 116.814 115.700 0.112 0.000 2.575 72 S HA 0.034 4.504 4.470 0.001 0.000 0.215 72 S C 0.164 174.813 174.600 0.082 0.000 0.966 72 S CA -0.038 58.215 58.200 0.089 0.000 0.911 72 S CB 0.067 63.306 63.200 0.065 0.000 0.780 72 S HN 0.379 nan 8.310 nan 0.000 0.514 73 E N 0.633 120.887 120.200 0.091 0.000 2.179 73 E HA 0.400 4.751 4.350 0.001 0.000 0.275 73 E C 1.046 177.707 176.600 0.102 0.000 0.945 73 E CA -0.369 56.081 56.400 0.083 0.000 0.792 73 E CB 1.283 31.028 29.700 0.074 0.000 1.125 73 E HN 0.166 nan 8.360 nan 0.000 0.397 74 G N 2.699 111.552 108.800 0.089 0.000 2.440 74 G HA2 -0.267 3.694 3.960 0.001 0.000 0.218 74 G HA3 -0.267 3.694 3.960 0.001 0.000 0.218 74 G C 0.878 175.862 174.900 0.141 0.000 1.154 74 G CA 0.530 45.694 45.100 0.105 0.000 0.767 74 G HN 0.428 nan 8.290 nan 0.000 0.552 75 D N 0.249 120.713 120.400 0.106 0.000 2.182 75 D HA -0.094 4.546 4.640 0.001 0.000 0.201 75 D C 2.696 179.120 176.300 0.208 0.000 0.986 75 D CA 0.735 54.812 54.000 0.129 0.000 0.847 75 D CB -0.080 40.750 40.800 0.051 0.000 0.942 75 D HN 0.237 nan 8.370 nan 0.000 0.467 76 V N 1.038 121.054 119.914 0.170 0.000 2.358 76 V HA -0.195 3.925 4.120 0.001 0.000 0.246 76 V C 2.534 178.749 176.094 0.202 0.000 1.047 76 V CA 1.715 64.125 62.300 0.184 0.000 1.035 76 V CB -0.679 31.255 31.823 0.186 0.000 0.658 76 V HN 0.198 nan 8.190 nan 0.000 0.452 77 T N 0.244 114.914 114.554 0.194 0.000 2.777 77 T HA -0.173 4.177 4.350 0.001 0.000 0.266 77 T C 1.669 176.460 174.700 0.151 0.000 1.040 77 T CA 1.866 64.062 62.100 0.160 0.000 1.141 77 T CB -0.389 68.565 68.868 0.143 0.000 0.868 77 T HN 0.484 nan 8.240 nan 0.000 0.444 78 F N 1.914 121.905 119.950 0.068 0.000 2.095 78 F HA -0.069 4.458 4.527 0.001 0.000 0.298 78 F C 1.901 177.739 175.800 0.063 0.000 1.104 78 F CA 1.260 59.300 58.000 0.067 0.000 1.232 78 F CB -0.527 38.515 39.000 0.071 0.000 0.987 78 F HN 0.040 nan 8.300 nan 0.000 0.475 79 L N -0.002 121.364 121.223 0.238 0.000 2.056 79 L HA -0.234 4.107 4.340 0.001 0.000 0.207 79 L C 2.492 179.305 176.870 -0.094 0.000 1.078 79 L CA 0.675 55.542 54.840 0.045 0.000 0.749 79 L CB -0.744 41.376 42.059 0.102 0.000 0.901 79 L HN 0.209 nan 8.230 nan 0.000 0.433 80 I N 0.108 120.676 120.570 -0.004 0.000 2.335 80 I HA -0.287 3.884 4.170 0.001 0.000 0.251 80 I C 2.070 178.149 176.117 -0.063 0.000 1.129 80 I CA 1.540 62.843 61.300 0.004 0.000 1.402 80 I CB -1.068 36.978 38.000 0.076 0.000 1.069 80 I HN 0.334 nan 8.210 nan 0.000 0.424 81 D N 0.277 120.607 120.400 -0.116 0.000 2.120 81 D HA -0.056 4.584 4.640 0.001 0.000 0.202 81 D C 2.359 178.541 176.300 -0.196 0.000 0.972 81 D CA 0.959 54.872 54.000 -0.145 0.000 0.837 81 D CB -0.122 40.586 40.800 -0.153 0.000 0.989 81 D HN 0.132 nan 8.370 nan 0.000 0.469 82 S N 0.984 116.482 115.700 -0.337 0.000 2.365 82 S HA -0.121 4.350 4.470 0.001 0.000 0.221 82 S C 2.128 176.668 174.600 -0.100 0.000 1.037 82 S CA 0.855 58.911 58.200 -0.238 0.000 1.060 82 S CB -0.481 62.587 63.200 -0.220 0.000 0.974 82 S HN 0.229 nan 8.310 nan 0.000 0.427 83 L N 1.187 122.316 121.223 -0.156 0.000 2.549 83 L HA 0.064 4.405 4.340 0.001 0.000 0.230 83 L C 1.393 178.202 176.870 -0.103 0.000 1.162 83 L CA 0.347 55.098 54.840 -0.148 0.000 0.834 83 L CB -1.253 40.648 42.059 -0.263 0.000 0.947 83 L HN 0.531 nan 8.230 nan 0.000 0.452 84 G N 0.945 109.691 108.800 -0.090 0.000 2.359 84 G HA2 -0.275 3.686 3.960 0.001 0.000 0.298 84 G HA3 -0.275 3.686 3.960 0.001 0.000 0.298 84 G C 0.418 175.291 174.900 -0.046 0.000 1.030 84 G CA 0.108 45.173 45.100 -0.058 0.000 1.149 84 G HN 0.396 nan 8.290 nan 0.000 0.512 85 L N -0.468 120.732 121.223 -0.038 0.000 2.667 85 L HA 0.197 4.538 4.340 0.001 0.000 0.232 85 L C 2.653 179.572 176.870 0.082 0.000 1.138 85 L CA -0.632 54.211 54.840 0.005 0.000 0.921 85 L CB -0.184 41.845 42.059 -0.051 0.000 1.180 85 L HN 0.184 nan 8.230 nan 0.000 0.487 86 R N 0.967 121.486 120.500 0.033 0.000 2.103 86 R HA -0.195 4.146 4.340 0.001 0.000 0.242 86 R C 1.723 178.042 176.300 0.031 0.000 1.142 86 R CA 1.507 57.619 56.100 0.021 0.000 0.960 86 R CB -0.371 29.933 30.300 0.006 0.000 0.858 86 R HN 0.496 nan 8.270 nan 0.000 0.439 87 E N 0.288 120.508 120.200 0.033 0.000 2.204 87 E HA -0.139 4.211 4.350 0.001 0.000 0.194 87 E C 1.561 178.193 176.600 0.053 0.000 0.989 87 E CA 0.905 57.327 56.400 0.036 0.000 0.824 87 E CB 0.021 29.735 29.700 0.024 0.000 0.756 87 E HN 0.333 nan 8.360 nan 0.000 0.477 88 K N 0.593 121.044 120.400 0.085 0.000 2.393 88 K HA 0.047 4.368 4.320 0.001 0.000 0.193 88 K C 0.629 177.342 176.600 0.189 0.000 1.026 88 K CA -0.114 56.256 56.287 0.140 0.000 1.064 88 K CB 0.320 32.907 32.500 0.145 0.000 0.833 88 K HN 0.032 nan 8.250 nan 0.000 0.521 89 Q N 2.227 122.061 119.800 0.055 0.000 2.289 89 Q HA -0.020 4.321 4.340 0.001 0.000 0.273 89 Q C -0.840 174.961 176.000 -0.332 0.000 1.029 89 Q CA 0.259 55.835 55.803 -0.379 0.000 0.896 89 Q CB 0.649 29.086 28.738 -0.502 0.000 1.182 89 Q HN 0.076 nan 8.270 nan 0.000 0.385 90 Q N 4.060 123.595 119.800 -0.442 0.000 2.310 90 Q HA 0.376 4.716 4.340 0.001 0.000 0.270 90 Q C -1.640 174.283 176.000 -0.129 0.000 1.025 90 Q CA -0.554 55.171 55.803 -0.131 0.000 0.772 90 Q CB 0.867 29.619 28.738 0.024 0.000 1.253 90 Q HN 0.517 nan 8.270 nan 0.000 0.450 91 F N 3.055 123.092 119.950 0.145 0.000 2.408 91 F HA 0.554 5.081 4.527 0.001 0.000 0.325 91 F C -1.778 174.033 175.800 0.019 0.000 1.082 91 F CA -2.262 55.822 58.000 0.140 0.000 1.032 91 F CB 0.558 39.608 39.000 0.083 0.000 1.259 91 F HN 0.502 nan 8.300 nan 0.000 0.503 92 P HA 0.202 nan 4.420 nan 0.000 0.271 92 P C 0.554 177.800 177.300 -0.090 0.000 1.218 92 P CA -0.040 62.822 63.100 -0.396 0.000 0.780 92 P CB 0.616 31.887 31.700 -0.715 0.000 0.901 93 L N 1.270 122.420 121.223 -0.122 0.000 2.307 93 L HA 0.084 4.425 4.340 0.001 0.000 0.211 93 L C 1.275 178.176 176.870 0.051 0.000 1.099 93 L CA 1.311 56.155 54.840 0.007 0.000 0.816 93 L CB -1.575 40.495 42.059 0.019 0.000 0.952 93 L HN 0.564 nan 8.230 nan 0.000 0.455 94 S N -0.664 115.066 115.700 0.050 0.000 2.614 94 S HA 0.430 4.901 4.470 0.001 0.000 0.265 94 S C 0.030 174.803 174.600 0.288 0.000 1.303 94 S CA -0.551 57.747 58.200 0.162 0.000 1.000 94 S CB 0.273 63.589 63.200 0.193 0.000 0.935 94 S HN 0.662 nan 8.310 nan 0.000 0.551 95 Q N 1.810 121.739 119.800 0.215 0.000 2.337 95 Q HA 0.123 4.463 4.340 0.001 0.000 0.270 95 Q C 0.168 176.169 176.000 0.002 0.000 1.002 95 Q CA -0.388 55.486 55.803 0.119 0.000 0.888 95 Q CB 0.232 29.000 28.738 0.050 0.000 1.222 95 Q HN 0.754 nan 8.270 nan 0.000 0.400 96 N N 3.302 121.846 118.700 -0.260 0.000 2.434 96 N HA -0.004 4.737 4.740 0.001 0.000 0.273 96 N C -1.215 173.940 175.510 -0.592 0.000 1.210 96 N CA 0.180 52.669 53.050 -0.935 0.000 0.992 96 N CB 0.322 38.389 38.487 -0.701 0.000 1.355 96 N HN 0.405 nan 8.380 nan 0.000 0.495 97 K N 2.619 122.692 120.400 -0.545 0.000 2.565 97 K HA 0.410 4.730 4.320 0.001 0.000 0.249 97 K C -0.559 175.777 176.600 -0.439 0.000 0.958 97 K CA -0.580 55.457 56.287 -0.416 0.000 0.806 97 K CB 2.426 34.767 32.500 -0.266 0.000 1.194 97 K HN 0.392 nan 8.250 nan 0.000 0.434 98 R N 1.720 121.925 120.500 -0.493 0.000 2.787 98 R HA 0.509 4.850 4.340 0.001 0.000 0.271 98 R C -0.893 175.095 176.300 -0.520 0.000 0.993 98 R CA -0.873 55.008 56.100 -0.366 0.000 0.993 98 R CB 1.124 31.266 30.300 -0.263 0.000 1.155 98 R HN 0.446 nan 8.270 nan 0.000 0.486 99 Y N 0.658 120.896 120.300 -0.103 0.000 2.562 99 Y HA 0.514 5.064 4.550 0.001 0.000 0.343 99 Y C 0.002 175.907 175.900 0.007 0.000 1.025 99 Y CA -1.082 57.001 58.100 -0.027 0.000 1.082 99 Y CB 1.569 40.041 38.460 0.018 0.000 1.264 99 Y HN 0.169 nan 8.280 nan 0.000 0.478 100 I N 1.441 122.155 120.570 0.241 0.000 2.569 100 I HA 0.519 4.690 4.170 0.001 0.000 0.296 100 I C -0.272 175.979 176.117 0.224 0.000 1.028 100 I CA -1.333 60.109 61.300 0.237 0.000 1.082 100 I CB 1.458 39.679 38.000 0.369 0.000 1.264 100 I HN 0.706 nan 8.210 nan 0.000 0.429 101 A N 6.911 129.839 122.820 0.181 0.000 2.354 101 A HA 0.606 4.926 4.320 0.001 0.000 0.281 101 A C 0.033 177.703 177.584 0.143 0.000 1.174 101 A CA -0.364 51.751 52.037 0.130 0.000 0.828 101 A CB 0.305 19.369 19.000 0.107 0.000 1.099 101 A HN 0.632 nan 8.150 nan 0.000 0.516 102 R N 2.204 122.721 120.500 0.029 0.000 2.502 102 R HA 0.217 4.558 4.340 0.001 0.000 0.300 102 R C 0.094 176.273 176.300 -0.203 0.000 0.984 102 R CA -0.349 55.696 56.100 -0.092 0.000 0.882 102 R CB 1.202 31.357 30.300 -0.241 0.000 1.180 102 R HN 1.065 nan 8.270 nan 0.000 0.444 103 N N 1.348 119.876 118.700 -0.286 0.000 2.809 103 N HA -0.274 4.467 4.740 0.001 0.000 0.244 103 N C 0.525 175.522 175.510 -0.855 0.000 1.018 103 N CA 2.577 55.252 53.050 -0.625 0.000 0.917 103 N CB -0.695 37.607 38.487 -0.309 0.000 1.130 103 N HN 0.981 nan 8.380 nan 0.000 0.591 104 G N -3.425 105.122 108.800 -0.423 0.000 2.613 104 G HA2 0.050 4.011 3.960 0.001 0.000 0.199 104 G HA3 0.050 4.011 3.960 0.001 0.000 0.199 104 G C 0.014 174.862 174.900 -0.087 0.000 0.991 104 G CA 0.689 45.658 45.100 -0.219 0.000 0.756 104 G HN 1.306 nan 8.290 nan 0.000 0.515 105 T N -0.947 113.559 114.554 -0.079 0.000 2.864 105 T HA 0.762 5.113 4.350 0.001 0.000 0.299 105 T C -3.336 171.368 174.700 0.007 0.000 1.166 105 T CA -1.532 60.547 62.100 -0.035 0.000 1.007 105 T CB 2.981 71.817 68.868 -0.052 0.000 1.219 105 T HN -0.025 nan 8.240 nan 0.000 0.506 106 P HA 0.440 nan 4.420 nan 0.000 0.269 106 P C -1.179 176.227 177.300 0.177 0.000 1.215 106 P CA -0.413 62.750 63.100 0.105 0.000 0.780 106 P CB 0.577 32.253 31.700 -0.039 0.000 0.898 107 V N 3.261 123.359 119.914 0.307 0.000 2.610 107 V HA 0.137 4.257 4.120 0.001 0.000 0.298 107 V C -0.135 176.126 176.094 0.279 0.000 1.067 107 V CA -0.891 61.572 62.300 0.273 0.000 0.894 107 V CB 1.652 33.605 31.823 0.217 0.000 1.015 107 V HN 0.424 nan 8.190 nan 0.000 0.432 108 L N 4.966 126.292 121.223 0.171 0.000 2.593 108 L HA 0.186 4.526 4.340 0.001 0.000 0.287 108 L C -0.311 176.438 176.870 -0.202 0.000 1.243 108 L CA 0.688 55.396 54.840 -0.220 0.000 0.890 108 L CB 0.492 42.445 42.059 -0.176 0.000 1.134 108 L HN 0.671 nan 8.230 nan 0.000 0.502 109 L N 7.324 128.303 121.223 -0.407 0.000 2.322 109 L HA 0.615 4.956 4.340 0.001 0.000 0.279 109 L C -2.264 174.340 176.870 -0.444 0.000 1.036 109 L CA -1.641 52.864 54.840 -0.560 0.000 0.807 109 L CB 1.064 42.812 42.059 -0.519 0.000 1.226 109 L HN 0.525 nan 8.230 nan 0.000 0.433 110 P HA 0.096 nan 4.420 nan 0.000 0.261 110 P C 0.420 177.568 177.300 -0.253 0.000 1.203 110 P CA 0.228 63.161 63.100 -0.277 0.000 0.767 110 P CB 0.632 32.188 31.700 -0.240 0.000 0.785 111 S N 3.549 119.121 115.700 -0.212 0.000 2.359 111 S HA -0.202 4.269 4.470 0.001 0.000 0.222 111 S C 0.694 175.199 174.600 -0.158 0.000 1.038 111 S CA 1.224 59.306 58.200 -0.196 0.000 1.051 111 S CB -0.985 62.114 63.200 -0.169 0.000 0.944 111 S HN 0.600 nan 8.310 nan 0.000 0.433 112 N N 0.842 119.467 118.700 -0.126 0.000 2.296 112 N HA 0.560 5.300 4.740 0.001 0.000 0.294 112 N C -3.563 171.892 175.510 -0.092 0.000 1.033 112 N CA -2.588 50.402 53.050 -0.100 0.000 0.839 112 N CB 0.911 39.353 38.487 -0.075 0.000 1.395 112 N HN -0.035 nan 8.380 nan 0.000 0.479 113 P HA -0.001 nan 4.420 nan 0.000 0.243 113 P C -0.095 177.175 177.300 -0.050 0.000 1.134 113 P CA 0.472 63.526 63.100 -0.078 0.000 1.109 113 P CB -0.027 31.622 31.700 -0.084 0.000 1.140 114 I N 1.638 122.182 120.570 -0.042 0.000 4.929 114 I HA -0.098 4.073 4.170 0.001 0.000 0.369 114 I C -0.172 175.931 176.117 -0.022 0.000 0.712 114 I CA 0.561 61.846 61.300 -0.025 0.000 1.572 114 I CB 0.045 38.029 38.000 -0.026 0.000 3.110 114 I HN 0.076 nan 8.210 nan 0.000 0.959 115 D N 1.688 122.066 120.400 -0.036 0.000 2.339 115 D HA 0.073 4.713 4.640 0.001 0.000 0.217 115 D C 1.787 178.075 176.300 -0.020 0.000 1.050 115 D CA 0.072 54.053 54.000 -0.031 0.000 0.856 115 D CB 0.792 41.562 40.800 -0.051 0.000 0.922 115 D HN 0.241 nan 8.370 nan 0.000 0.518 116 L N 0.546 121.756 121.223 -0.022 0.000 2.622 116 L HA 0.070 4.411 4.340 0.001 0.000 0.233 116 L C 1.541 178.432 176.870 0.036 0.000 1.156 116 L CA 0.949 55.790 54.840 0.001 0.000 0.866 116 L CB -0.115 41.934 42.059 -0.017 0.000 0.980 116 L HN -0.031 nan 8.230 nan 0.000 0.448 117 I N -2.329 118.256 120.570 0.025 0.000 4.624 117 I HA 0.034 4.205 4.170 0.001 0.000 0.327 117 I C 2.251 178.383 176.117 0.024 0.000 1.295 117 I CA 0.607 61.926 61.300 0.032 0.000 1.267 117 I CB 0.020 38.037 38.000 0.029 0.000 1.249 117 I HN 0.036 nan 8.210 nan 0.000 0.440 118 K N 0.497 120.905 120.400 0.015 0.000 2.166 118 K HA 0.174 4.494 4.320 0.001 0.000 0.201 118 K C 1.310 177.919 176.600 0.014 0.000 1.052 118 K CA 0.971 57.264 56.287 0.010 0.000 0.969 118 K CB -0.361 32.139 32.500 0.001 0.000 0.761 118 K HN 0.224 nan 8.250 nan 0.000 0.459 119 S N 0.340 116.052 115.700 0.020 0.000 2.624 119 S HA 0.201 4.671 4.470 0.001 0.000 0.263 119 S C 0.223 174.855 174.600 0.053 0.000 1.287 119 S CA -0.351 57.869 58.200 0.033 0.000 0.990 119 S CB 0.702 63.922 63.200 0.033 0.000 0.950 119 S HN 0.452 nan 8.310 nan 0.000 0.561 120 N N 1.059 119.794 118.700 0.058 0.000 2.320 120 N HA 0.270 5.010 4.740 0.001 0.000 0.237 120 N C 0.178 175.719 175.510 0.052 0.000 1.129 120 N CA -0.138 52.936 53.050 0.039 0.000 0.854 120 N CB -0.283 38.208 38.487 0.007 0.000 1.083 120 N HN 0.587 nan 8.380 nan 0.000 0.504 121 F N 0.381 120.307 119.950 -0.039 0.000 2.186 121 F HA 0.150 4.678 4.527 0.001 0.000 0.299 121 F C 0.394 176.168 175.800 -0.043 0.000 1.090 121 F CA 0.942 58.914 58.000 -0.047 0.000 1.307 121 F CB 0.258 39.232 39.000 -0.044 0.000 1.019 121 F HN -0.066 nan 8.300 nan 0.000 0.489 122 L N -0.180 121.075 121.223 0.053 0.000 2.332 122 L HA 0.341 4.682 4.340 0.001 0.000 0.269 122 L C 0.533 177.388 176.870 -0.026 0.000 1.016 122 L CA -1.074 53.760 54.840 -0.010 0.000 0.809 122 L CB 1.471 43.589 42.059 0.098 0.000 1.280 122 L HN -0.071 nan 8.230 nan 0.000 0.447 123 S N -1.231 114.451 115.700 -0.029 0.000 2.617 123 S HA 0.150 4.620 4.470 0.001 0.000 0.269 123 S C 0.891 175.497 174.600 0.010 0.000 1.292 123 S CA -0.540 57.648 58.200 -0.020 0.000 1.010 123 S CB 1.378 64.566 63.200 -0.021 0.000 0.944 123 S HN 0.628 nan 8.310 nan 0.000 0.536 124 T N 1.997 116.554 114.554 0.006 0.000 2.720 124 T HA -0.038 4.312 4.350 0.001 0.000 0.268 124 T C 2.061 176.774 174.700 0.023 0.000 1.037 124 T CA 1.797 63.906 62.100 0.015 0.000 1.144 124 T CB -1.115 67.758 68.868 0.008 0.000 0.864 124 T HN 0.862 nan 8.240 nan 0.000 0.444 125 G N 0.605 109.417 108.800 0.020 0.000 2.446 125 G HA2 -0.215 3.745 3.960 0.001 0.000 0.217 125 G HA3 -0.215 3.745 3.960 0.001 0.000 0.217 125 G C 1.853 176.779 174.900 0.044 0.000 1.168 125 G CA 1.059 46.175 45.100 0.027 0.000 0.771 125 G HN 0.486 nan 8.290 nan 0.000 0.551 126 S N -0.054 115.678 115.700 0.053 0.000 2.500 126 S HA -0.015 4.455 4.470 0.001 0.000 0.239 126 S C 2.230 176.893 174.600 0.106 0.000 0.989 126 S CA 1.157 59.408 58.200 0.086 0.000 0.951 126 S CB -0.100 63.152 63.200 0.087 0.000 0.759 126 S HN 0.483 nan 8.310 nan 0.000 0.523 127 K N 0.405 120.852 120.400 0.079 0.000 2.166 127 K HA 0.192 4.513 4.320 0.001 0.000 0.201 127 K C 1.852 178.495 176.600 0.071 0.000 1.052 127 K CA 0.440 56.776 56.287 0.083 0.000 0.969 127 K CB -0.147 32.389 32.500 0.060 0.000 0.761 127 K HN 0.288 nan 8.250 nan 0.000 0.459 128 L N 1.559 122.812 121.223 0.051 0.000 1.994 128 L HA -0.169 4.171 4.340 0.001 0.000 0.208 128 L C 1.961 178.853 176.870 0.037 0.000 1.071 128 L CA 1.036 55.898 54.840 0.037 0.000 0.745 128 L CB -0.575 41.499 42.059 0.025 0.000 0.892 128 L HN 0.318 nan 8.230 nan 0.000 0.431 132 L N 1.232 122.463 121.223 0.014 0.000 2.599 132 L HA 0.031 4.371 4.340 0.001 0.000 0.230 132 L C 2.266 179.126 176.870 -0.016 0.000 1.141 132 L CA 0.307 55.145 54.840 -0.003 0.000 0.877 132 L CB -0.160 41.895 42.059 -0.008 0.000 1.009 132 L HN 0.299 nan 8.230 nan 0.000 0.447 133 E N 1.508 121.685 120.200 -0.039 0.000 2.130 133 E HA -0.219 4.131 4.350 0.001 0.000 0.196 133 E C -0.578 176.023 176.600 0.002 0.000 0.998 133 E CA 1.567 57.914 56.400 -0.088 0.000 0.806 133 E CB -0.778 28.758 29.700 -0.274 0.000 0.738 133 E HN 0.335 nan 8.360 nan 0.000 0.459 134 P HA -0.117 nan 4.420 nan 0.000 0.218 134 P C 1.479 178.788 177.300 0.015 0.000 1.148 134 P CA 0.982 64.100 63.100 0.030 0.000 0.822 134 P CB 0.088 31.800 31.700 0.020 0.000 0.784 135 I N -1.728 118.838 120.570 -0.007 0.000 2.556 135 I HA -0.021 4.149 4.170 0.001 0.000 0.251 135 I C 1.996 178.066 176.117 -0.078 0.000 1.105 135 I CA 1.024 62.302 61.300 -0.037 0.000 1.436 135 I CB -1.127 36.850 38.000 -0.039 0.000 1.139 135 I HN -0.074 nan 8.210 nan 0.000 0.438 136 L N -1.230 119.949 121.223 -0.073 0.000 2.551 136 L HA -0.084 4.257 4.340 0.001 0.000 0.228 136 L C 0.670 177.382 176.870 -0.263 0.000 1.153 136 L CA 0.790 55.535 54.840 -0.157 0.000 0.851 136 L CB -0.153 41.871 42.059 -0.058 0.000 0.959 136 L HN 0.291 nan 8.230 nan 0.000 0.451 149 H N 1.217 120.344 119.070 0.095 0.000 4.939 149 H HA 0.522 5.079 4.556 0.001 0.000 0.096 149 H C -0.090 175.316 175.328 0.130 0.000 1.270 149 H CA 0.456 56.539 56.048 0.058 0.000 0.659 149 H CB -0.400 29.406 29.762 0.072 0.000 1.488 149 H HN 0.319 nan 8.280 nan 0.000 0.151 150 E N 2.093 122.497 120.200 0.339 0.000 5.482 150 E HA -0.161 4.189 4.350 0.001 0.000 0.369 150 E C -0.621 176.138 176.600 0.265 0.000 1.136 150 E CA 0.242 56.818 56.400 0.294 0.000 1.145 150 E CB -0.029 29.892 29.700 0.367 0.000 0.781 150 E HN 0.504 nan 8.360 nan 0.000 0.338 151 S N 2.369 118.197 115.700 0.214 0.000 2.576 151 S HA 0.086 4.556 4.470 0.001 0.000 0.272 151 S C 1.529 176.263 174.600 0.224 0.000 1.352 151 S CA -0.381 57.931 58.200 0.187 0.000 1.021 151 S CB 1.719 65.009 63.200 0.149 0.000 0.887 151 S HN 0.490 nan 8.310 nan 0.000 0.542 152 V N 1.956 121.998 119.914 0.213 0.000 2.317 152 V HA -0.206 3.914 4.120 0.001 0.000 0.251 152 V C 2.898 179.195 176.094 0.338 0.000 1.065 152 V CA 2.491 64.950 62.300 0.266 0.000 1.049 152 V CB -1.400 30.601 31.823 0.296 0.000 0.651 152 V HN 1.048 nan 8.190 nan 0.000 0.450 153 S N -0.068 115.771 115.700 0.232 0.000 2.356 153 S HA -0.126 4.344 4.470 0.001 0.000 0.223 153 S C 2.064 176.801 174.600 0.228 0.000 1.032 153 S CA 1.720 60.041 58.200 0.202 0.000 1.005 153 S CB -0.605 62.669 63.200 0.123 0.000 0.867 153 S HN 0.661 nan 8.310 nan 0.000 0.449 154 G N 0.423 109.350 108.800 0.212 0.000 2.421 154 G HA2 -0.162 3.798 3.960 0.001 0.000 0.216 154 G HA3 -0.162 3.798 3.960 0.001 0.000 0.216 154 G C 1.243 176.266 174.900 0.206 0.000 1.171 154 G CA 0.820 46.030 45.100 0.184 0.000 0.775 154 G HN 0.567 nan 8.290 nan 0.000 0.543 155 F N 0.772 120.753 119.950 0.052 0.000 2.000 155 F HA -0.142 4.386 4.527 0.001 0.000 0.296 155 F C 2.489 178.214 175.800 -0.125 0.000 1.159 155 F CA 2.040 59.992 58.000 -0.080 0.000 1.183 155 F CB -0.361 38.538 39.000 -0.168 0.000 0.959 155 F HN 0.128 nan 8.300 nan 0.000 0.490 156 F N 0.738 121.010 119.950 0.537 0.000 2.147 156 F HA -0.310 4.217 4.527 0.001 0.000 0.301 156 F C 2.554 178.468 175.800 0.190 0.000 1.084 156 F CA 1.751 59.960 58.000 0.349 0.000 1.268 156 F CB -0.960 38.115 39.000 0.126 0.000 1.009 156 F HN 0.206 nan 8.300 nan 0.000 0.486 157 Q N 1.538 121.504 119.800 0.276 0.000 1.975 157 Q HA -0.252 4.088 4.340 0.001 0.000 0.205 157 Q C 2.294 178.311 176.000 0.029 0.000 0.990 157 Q CA 2.485 58.377 55.803 0.148 0.000 0.845 157 Q CB -0.424 28.382 28.738 0.113 0.000 0.913 157 Q HN 0.500 nan 8.270 nan 0.000 0.420 158 R N -1.296 119.149 120.500 -0.090 0.000 2.127 158 R HA -0.179 4.162 4.340 0.001 0.000 0.238 158 R C 2.198 178.067 176.300 -0.717 0.000 1.134 158 R CA 1.772 57.683 56.100 -0.315 0.000 0.975 158 R CB -0.816 29.258 30.300 -0.377 0.000 0.865 158 R HN 0.447 nan 8.270 nan 0.000 0.447 159 H N -0.659 117.953 119.070 -0.764 0.000 2.329 159 H HA 0.038 4.594 4.556 0.001 0.000 0.306 159 H C 1.058 175.961 175.328 -0.709 0.000 1.062 159 H CA 1.579 57.058 56.048 -0.948 0.000 1.364 159 H CB 0.155 29.365 29.762 -0.920 0.000 1.409 159 H HN 0.248 nan 8.280 nan 0.000 0.519 160 F N -0.262 119.697 119.950 0.016 0.000 2.706 160 F HA 0.330 4.857 4.527 0.001 0.000 0.308 160 F C 1.209 177.048 175.800 0.065 0.000 1.095 160 F CA 0.587 58.628 58.000 0.067 0.000 1.244 160 F CB 1.094 40.170 39.000 0.128 0.000 1.063 160 F HN 0.221 nan 8.300 nan 0.000 0.582 161 G N 0.568 109.475 108.800 0.179 0.000 2.612 161 G HA2 -0.194 3.766 3.960 0.001 0.000 0.686 161 G HA3 -0.194 3.766 3.960 0.001 0.000 0.686 161 G C 0.288 175.275 174.900 0.144 0.000 1.274 161 G CA -0.436 44.745 45.100 0.134 0.000 0.849 161 G HN 0.091 nan 8.290 nan 0.000 0.595 162 K N -0.306 120.158 120.400 0.108 0.000 2.103 162 K HA -0.019 4.302 4.320 0.001 0.000 0.204 162 K C 2.305 178.967 176.600 0.104 0.000 1.052 162 K CA 1.584 57.928 56.287 0.094 0.000 0.945 162 K CB -0.104 32.441 32.500 0.075 0.000 0.722 162 K HN 0.595 nan 8.250 nan 0.000 0.443 163 E N 0.285 120.561 120.200 0.128 0.000 2.077 163 E HA -0.173 4.177 4.350 0.001 0.000 0.193 163 E C 1.725 178.433 176.600 0.181 0.000 0.989 163 E CA 1.115 57.621 56.400 0.178 0.000 0.800 163 E CB 0.176 29.951 29.700 0.125 0.000 0.746 163 E HN 0.055 nan 8.360 nan 0.000 0.452 164 V N 0.432 120.437 119.914 0.152 0.000 2.626 164 V HA -0.185 3.936 4.120 0.001 0.000 0.252 164 V C 2.270 178.398 176.094 0.056 0.000 1.067 164 V CA 1.050 63.427 62.300 0.130 0.000 1.081 164 V CB 0.181 32.096 31.823 0.153 0.000 0.686 164 V HN 0.204 nan 8.190 nan 0.000 0.468 165 V N -0.080 119.871 119.914 0.061 0.000 2.323 165 V HA -0.176 3.945 4.120 0.001 0.000 0.244 165 V C 2.237 178.292 176.094 -0.065 0.000 1.041 165 V CA 1.991 64.288 62.300 -0.005 0.000 1.025 165 V CB -0.534 31.321 31.823 0.054 0.000 0.656 165 V HN 0.534 nan 8.190 nan 0.000 0.451 166 D N -0.602 119.744 120.400 -0.090 0.000 2.097 166 D HA -0.138 4.502 4.640 0.001 0.000 0.197 166 D C 1.501 177.507 176.300 -0.490 0.000 0.984 166 D CA 1.708 55.511 54.000 -0.328 0.000 0.826 166 D CB -0.177 40.356 40.800 -0.444 0.000 0.973 166 D HN 0.605 nan 8.370 nan 0.000 0.460 167 Y N -0.475 119.848 120.300 0.039 0.000 2.607 167 Y HA 0.364 4.914 4.550 0.001 0.000 0.266 167 Y C 1.528 177.560 175.900 0.221 0.000 1.178 167 Y CA -0.197 57.960 58.100 0.094 0.000 1.226 167 Y CB 0.666 39.116 38.460 -0.017 0.000 1.144 167 Y HN -0.116 nan 8.280 nan 0.000 0.528 168 L N -1.481 119.852 121.223 0.183 0.000 3.099 168 L HA 0.071 4.411 4.340 0.001 0.000 0.165 168 L C 1.899 178.741 176.870 -0.046 0.000 1.151 168 L CA 0.175 55.076 54.840 0.101 0.000 0.878 168 L CB -0.367 41.733 42.059 0.067 0.000 1.615 168 L HN 0.141 nan 8.230 nan 0.000 0.545 169 I N -1.351 119.098 120.570 -0.201 0.000 2.493 169 I HA -0.189 3.982 4.170 0.001 0.000 0.254 169 I C 1.944 178.008 176.117 -0.088 0.000 1.160 169 I CA 1.706 62.813 61.300 -0.320 0.000 1.445 169 I CB -0.578 36.898 38.000 -0.872 0.000 1.086 169 I HN 0.380 nan 8.210 nan 0.000 0.433 170 D N 1.577 121.931 120.400 -0.077 0.000 2.084 170 D HA -0.103 4.537 4.640 0.001 0.000 0.196 170 D C -0.215 176.073 176.300 -0.020 0.000 0.985 170 D CA 1.640 55.610 54.000 -0.049 0.000 0.826 170 D CB -1.169 39.578 40.800 -0.089 0.000 0.978 170 D HN 0.223 nan 8.370 nan 0.000 0.456 171 P HA -0.122 nan 4.420 nan 0.000 0.216 171 P C 1.474 178.764 177.300 -0.017 0.000 1.150 171 P CA 0.931 64.033 63.100 0.003 0.000 0.843 171 P CB -0.362 31.373 31.700 0.058 0.000 0.787 172 F N 0.044 119.923 119.950 -0.117 0.000 2.102 172 F HA -0.206 4.322 4.527 0.001 0.000 0.298 172 F C 1.982 177.687 175.800 -0.158 0.000 1.105 172 F CA 1.470 59.391 58.000 -0.132 0.000 1.239 172 F CB -0.788 38.142 39.000 -0.117 0.000 0.991 172 F HN -0.301 nan 8.300 nan 0.000 0.474 173 V N 0.577 120.485 119.914 -0.010 0.000 2.358 173 V HA -0.284 3.836 4.120 0.001 0.000 0.246 173 V C 2.748 178.657 176.094 -0.309 0.000 1.047 173 V CA 1.694 63.893 62.300 -0.167 0.000 1.035 173 V CB -1.499 30.312 31.823 -0.020 0.000 0.658 173 V HN 0.505 nan 8.190 nan 0.000 0.452 174 A N 0.585 123.276 122.820 -0.215 0.000 1.908 174 A HA -0.146 4.175 4.320 0.001 0.000 0.218 174 A C 2.306 179.698 177.584 -0.320 0.000 1.181 174 A CA 2.011 53.916 52.037 -0.221 0.000 0.627 174 A CB -1.094 17.831 19.000 -0.125 0.000 0.818 174 A HN 0.567 nan 8.150 nan 0.000 0.445 175 G N -2.284 106.303 108.800 -0.354 0.000 2.744 175 G HA2 0.128 4.088 3.960 0.001 0.000 0.211 175 G HA3 0.128 4.088 3.960 0.001 0.000 0.211 175 G C 1.199 175.767 174.900 -0.554 0.000 1.143 175 G CA 1.374 46.225 45.100 -0.415 0.000 0.788 175 G HN 0.458 nan 8.290 nan 0.000 0.534 176 T N -0.820 113.333 114.554 -0.668 0.000 3.000 176 T HA 0.019 4.369 4.350 0.001 0.000 0.248 176 T C 1.732 175.848 174.700 -0.973 0.000 1.034 176 T CA 0.997 62.656 62.100 -0.735 0.000 1.060 176 T CB 0.215 68.598 68.868 -0.808 0.000 0.983 176 T HN 0.598 nan 8.240 nan 0.000 0.482 177 C N -0.395 118.269 119.300 -1.060 0.000 4.150 177 C HA 0.683 5.143 4.460 0.001 0.000 0.330 177 C C 1.782 176.216 174.990 -0.927 0.000 1.905 177 C CA -0.306 57.709 59.018 -1.672 0.000 1.724 177 C CB -0.442 26.600 27.740 -1.164 0.000 3.096 177 C HN 0.600 nan 8.230 nan 0.000 0.601 178 G N 1.147 109.606 108.800 -0.569 0.000 2.166 178 G HA2 0.084 4.045 3.960 0.001 0.000 0.260 178 G HA3 0.084 4.045 3.960 0.001 0.000 0.260 178 G C 0.613 175.397 174.900 -0.194 0.000 0.986 178 G CA 0.585 45.521 45.100 -0.273 0.000 0.683 178 G HN 1.431 nan 8.290 nan 0.000 0.527 179 G N -0.691 107.954 108.800 -0.260 0.000 2.563 179 G HA2 0.514 4.474 3.960 0.001 0.000 0.283 179 G HA3 0.514 4.474 3.960 0.001 0.000 0.283 179 G C -0.415 174.417 174.900 -0.114 0.000 1.309 179 G CA 0.282 45.279 45.100 -0.172 0.000 1.022 179 G HN 0.673 nan 8.290 nan 0.000 0.501 180 D N -1.278 119.078 120.400 -0.073 0.000 2.502 180 D HA 0.450 5.091 4.640 0.001 0.000 0.249 180 D C -1.699 174.593 176.300 -0.014 0.000 1.092 180 D CA -1.733 52.244 54.000 -0.038 0.000 0.839 180 D CB 2.483 43.272 40.800 -0.018 0.000 1.264 180 D HN -0.010 nan 8.370 nan 0.000 0.511 181 P HA -0.172 nan 4.420 nan 0.000 0.218 181 P C 0.245 177.586 177.300 0.067 0.000 1.152 181 P CA 1.114 64.241 63.100 0.045 0.000 0.857 181 P CB 0.173 31.891 31.700 0.030 0.000 0.787 182 D N -1.458 118.972 120.400 0.049 0.000 2.264 182 D HA -0.068 4.573 4.640 0.001 0.000 0.208 182 D C 0.863 177.201 176.300 0.063 0.000 0.966 182 D CA 1.185 55.222 54.000 0.062 0.000 0.864 182 D CB -0.494 40.334 40.800 0.047 0.000 0.933 182 D HN 0.261 nan 8.370 nan 0.000 0.499 183 S N -0.399 115.327 115.700 0.044 0.000 2.592 183 S HA 0.451 4.922 4.470 0.001 0.000 0.243 183 S C -0.268 174.346 174.600 0.023 0.000 1.160 183 S CA -0.723 57.500 58.200 0.038 0.000 1.145 183 S CB 0.102 63.316 63.200 0.024 0.000 0.909 183 S HN -0.106 nan 8.310 nan 0.000 0.487 184 L N 1.458 122.708 121.223 0.045 0.000 2.408 184 L HA 0.619 4.960 4.340 0.001 0.000 0.268 184 L C 0.361 177.275 176.870 0.073 0.000 0.986 184 L CA -0.126 54.734 54.840 0.033 0.000 0.820 184 L CB 1.986 44.064 42.059 0.031 0.000 1.303 184 L HN 0.375 nan 8.230 nan 0.000 0.411 188 H N -0.081 118.778 119.070 -0.352 0.000 2.436 188 H HA 0.254 4.811 4.556 0.001 0.000 0.294 188 H C 2.117 177.390 175.328 -0.093 0.000 1.048 188 H CA 1.861 57.717 56.048 -0.319 0.000 1.353 188 H CB -0.461 29.153 29.762 -0.246 0.000 1.414 188 H HN 0.397 nan 8.280 nan 0.000 0.536 189 S N -0.630 115.081 115.700 0.019 0.000 2.345 189 S HA 0.111 4.581 4.470 0.001 0.000 0.219 189 S C -0.044 174.442 174.600 -0.189 0.000 1.031 189 S CA 0.681 58.865 58.200 -0.026 0.000 0.984 189 S CB 0.010 63.231 63.200 0.035 0.000 0.874 189 S HN 0.535 nan 8.310 nan 0.000 0.451 190 F N 1.302 121.250 119.950 -0.003 0.000 2.363 190 F HA 0.418 4.946 4.527 0.001 0.000 0.366 190 F C -2.206 173.610 175.800 0.027 0.000 1.083 190 F CA -2.419 55.585 58.000 0.006 0.000 1.176 190 F CB 1.087 40.075 39.000 -0.021 0.000 1.432 190 F HN 0.032 nan 8.300 nan 0.000 0.482 191 P HA -0.105 nan 4.420 nan 0.000 0.215 191 P C 1.791 179.216 177.300 0.209 0.000 1.157 191 P CA 1.993 65.170 63.100 0.129 0.000 0.859 191 P CB 0.216 31.929 31.700 0.021 0.000 0.786 192 E N -0.146 120.154 120.200 0.165 0.000 2.396 192 E HA -0.147 4.203 4.350 0.001 0.000 0.200 192 E C 1.792 178.496 176.600 0.173 0.000 1.023 192 E CA 1.121 57.615 56.400 0.157 0.000 0.857 192 E CB -1.405 28.371 29.700 0.126 0.000 0.775 192 E HN 0.233 nan 8.360 nan 0.000 0.525 193 L N -2.275 119.066 121.223 0.196 0.000 2.577 193 L HA 0.133 4.473 4.340 0.001 0.000 0.225 193 L C 2.512 179.488 176.870 0.176 0.000 1.053 193 L CA 0.166 55.085 54.840 0.131 0.000 0.866 193 L CB 0.031 42.084 42.059 -0.010 0.000 1.132 193 L HN 0.631 nan 8.230 nan 0.000 0.486 194 W N 2.150 123.486 121.300 0.060 0.000 2.392 194 W HA -0.151 4.509 4.660 0.001 0.000 0.279 194 W C 1.756 178.368 176.519 0.155 0.000 1.225 194 W CA 1.179 58.605 57.345 0.134 0.000 1.233 194 W CB -0.078 29.520 29.460 0.230 0.000 1.122 194 W HN 0.241 nan 8.180 nan 0.000 0.561 195 N N 0.998 119.876 118.700 0.297 0.000 2.062 195 N HA -0.177 4.564 4.740 0.001 0.000 0.191 195 N C 1.740 177.293 175.510 0.073 0.000 1.042 195 N CA 1.690 54.846 53.050 0.177 0.000 0.845 195 N CB -0.948 37.659 38.487 0.200 0.000 1.024 195 N HN 0.090 nan 8.380 nan 0.000 0.424 196 L N 2.169 123.478 121.223 0.144 0.000 2.089 196 L HA -0.191 4.150 4.340 0.001 0.000 0.213 196 L C 2.402 179.365 176.870 0.155 0.000 1.079 196 L CA 1.512 56.487 54.840 0.225 0.000 0.758 196 L CB -0.817 41.403 42.059 0.267 0.000 0.891 196 L HN 0.347 nan 8.230 nan 0.000 0.433 197 E N -0.563 119.663 120.200 0.044 0.000 2.072 197 E HA -0.253 4.098 4.350 0.001 0.000 0.191 197 E C 2.273 178.814 176.600 -0.098 0.000 0.985 197 E CA 0.852 57.234 56.400 -0.031 0.000 0.801 197 E CB -0.018 29.605 29.700 -0.128 0.000 0.750 197 E HN 0.246 nan 8.360 nan 0.000 0.452 198 K N 0.861 121.141 120.400 -0.201 0.000 2.032 198 K HA -0.226 4.094 4.320 0.001 0.000 0.209 198 K C 2.331 178.859 176.600 -0.119 0.000 1.048 198 K CA 2.121 58.289 56.287 -0.198 0.000 0.927 198 K CB -0.387 31.992 32.500 -0.201 0.000 0.712 198 K HN 0.147 nan 8.250 nan 0.000 0.441 199 R N 0.390 120.814 120.500 -0.127 0.000 2.036 199 R HA 0.011 4.352 4.340 0.001 0.000 0.216 199 R C 2.543 178.735 176.300 -0.181 0.000 1.241 199 R CA 1.561 57.523 56.100 -0.229 0.000 0.964 199 R CB -1.707 28.331 30.300 -0.435 0.000 0.828 199 R HN 0.236 nan 8.270 nan 0.000 0.468 200 F N 0.247 120.199 119.950 0.002 0.000 2.126 200 F HA 0.097 4.625 4.527 0.001 0.000 0.299 200 F C 2.389 178.198 175.800 0.016 0.000 1.096 200 F CA 1.964 59.972 58.000 0.012 0.000 1.255 200 F CB -0.468 38.546 39.000 0.023 0.000 0.997 200 F HN 0.658 nan 8.300 nan 0.000 0.479 201 G N -0.998 107.914 108.800 0.187 0.000 2.268 201 G HA2 -0.256 3.704 3.960 0.001 0.000 0.240 201 G HA3 -0.256 3.704 3.960 0.001 0.000 0.240 201 G C 0.342 175.366 174.900 0.207 0.000 1.010 201 G CA 0.296 45.483 45.100 0.144 0.000 0.618 201 G HN 0.803 nan 8.290 nan 0.000 0.516 202 S N -0.018 115.802 115.700 0.199 0.000 2.774 202 S HA 0.674 5.144 4.470 0.001 0.000 0.297 202 S C 1.214 175.894 174.600 0.133 0.000 1.143 202 S CA 0.268 58.587 58.200 0.198 0.000 1.090 202 S CB 2.142 65.435 63.200 0.156 0.000 1.019 202 S HN 0.967 nan 8.310 nan 0.000 0.482 203 V N 4.102 124.071 119.914 0.092 0.000 2.230 203 V HA -0.298 3.822 4.120 0.001 0.000 0.256 203 V C 2.463 178.637 176.094 0.134 0.000 1.064 203 V CA 2.391 64.759 62.300 0.114 0.000 1.050 203 V CB -0.937 30.990 31.823 0.173 0.000 0.666 203 V HN 0.894 nan 8.190 nan 0.000 0.457 204 I N -0.965 119.739 120.570 0.223 0.000 2.143 204 I HA -0.301 3.870 4.170 0.001 0.000 0.245 204 I C 2.406 178.546 176.117 0.038 0.000 1.068 204 I CA 2.089 63.489 61.300 0.167 0.000 1.326 204 I CB -1.048 37.073 38.000 0.202 0.000 1.028 204 I HN 0.327 nan 8.210 nan 0.000 0.412 205 L N 0.759 121.985 121.223 0.004 0.000 2.027 205 L HA -0.080 4.261 4.340 0.001 0.000 0.206 205 L C 2.516 179.228 176.870 -0.264 0.000 1.074 205 L CA 2.186 56.968 54.840 -0.097 0.000 0.745 205 L CB -1.291 40.727 42.059 -0.068 0.000 0.898 205 L HN 0.245 nan 8.230 nan 0.000 0.433 206 G N -1.228 107.414 108.800 -0.264 0.000 2.480 206 G HA2 -0.320 3.641 3.960 0.001 0.000 0.216 206 G HA3 -0.320 3.641 3.960 0.001 0.000 0.216 206 G C 1.664 176.415 174.900 -0.249 0.000 1.200 206 G CA 1.131 45.964 45.100 -0.446 0.000 0.782 206 G HN 0.585 nan 8.290 nan 0.000 0.554 207 A N 0.866 123.640 122.820 -0.077 0.000 1.915 207 A HA -0.149 4.171 4.320 0.001 0.000 0.220 207 A C 2.365 179.909 177.584 -0.067 0.000 1.198 207 A CA 1.865 53.881 52.037 -0.036 0.000 0.647 207 A CB -0.434 18.564 19.000 -0.004 0.000 0.825 207 A HN 0.314 nan 8.150 nan 0.000 0.456 208 I N -0.997 119.518 120.570 -0.091 0.000 2.361 208 I HA -0.126 4.045 4.170 0.001 0.000 0.251 208 I C 1.849 177.898 176.117 -0.114 0.000 1.133 208 I CA 1.332 62.581 61.300 -0.085 0.000 1.413 208 I CB -0.888 37.066 38.000 -0.078 0.000 1.073 208 I HN 0.244 nan 8.210 nan 0.000 0.424 209 R N 1.288 121.659 120.500 -0.213 0.000 3.541 209 R HA 0.075 4.415 4.340 0.001 0.000 0.277 209 R C 0.495 176.744 176.300 -0.086 0.000 1.539 209 R CA 0.486 56.464 56.100 -0.204 0.000 1.338 209 R CB -0.657 29.375 30.300 -0.448 0.000 1.343 209 R HN 0.349 nan 8.270 nan 0.000 0.623 210 S N -4.721 110.956 115.700 -0.037 0.000 2.599 210 S HA 0.123 4.593 4.470 0.001 0.000 0.217 210 S C 0.776 175.387 174.600 0.017 0.000 0.852 210 S CA -0.062 58.151 58.200 0.022 0.000 1.521 210 S CB -0.212 63.025 63.200 0.061 0.000 1.269 210 S HN 0.244 nan 8.310 nan 0.000 0.607 211 K N 0.419 120.818 120.400 -0.002 0.000 2.450 211 K HA 0.850 5.170 4.320 0.001 0.000 0.206 211 K C 0.735 177.335 176.600 -0.000 0.000 1.148 211 K CA 0.730 57.017 56.287 0.001 0.000 1.014 211 K CB 0.301 32.795 32.500 -0.009 0.000 0.966 211 K HN 1.397 nan 8.250 nan 0.000 0.566 212 L N 0.203 121.424 121.223 -0.004 0.000 2.869 212 L HA 0.810 5.151 4.340 0.001 0.000 0.320 212 L C 0.819 177.690 176.870 0.001 0.000 1.306 212 L CA -0.052 54.787 54.840 -0.002 0.000 0.731 212 L CB -0.713 41.341 42.059 -0.009 0.000 1.123 212 L HN 0.700 nan 8.230 nan 0.000 0.553 225 T N -0.850 113.715 114.554 0.018 0.000 2.870 225 T HA 0.860 5.210 4.350 0.001 0.000 0.277 225 T C 1.584 176.286 174.700 0.003 0.000 1.000 225 T CA 0.706 62.811 62.100 0.008 0.000 0.982 225 T CB 0.756 69.626 68.868 0.005 0.000 1.249 225 T HN 1.304 nan 8.240 nan 0.000 0.589 226 S N -0.898 114.799 115.700 -0.006 0.000 2.456 226 S HA 0.560 5.030 4.470 0.001 0.000 0.224 226 S C 1.589 176.178 174.600 -0.018 0.000 1.035 226 S CA 1.203 59.397 58.200 -0.010 0.000 0.940 226 S CB 0.070 63.262 63.200 -0.013 0.000 0.799 226 S HN 1.352 nan 8.310 nan 0.000 0.508 227 A N 0.976 123.778 122.820 -0.030 0.000 2.911 227 A HA 0.607 4.927 4.320 0.001 0.000 0.304 227 A C 1.328 178.889 177.584 -0.039 0.000 1.144 227 A CA 0.643 52.650 52.037 -0.050 0.000 0.988 227 A CB -1.412 17.533 19.000 -0.091 0.000 1.141 227 A HN 0.551 nan 8.150 nan 0.000 0.552 228 N N 0.955 119.650 118.700 -0.008 0.000 2.006 228 N HA -0.212 4.529 4.740 0.001 0.000 0.196 228 N C 2.149 177.679 175.510 0.033 0.000 1.057 228 N CA 3.078 56.139 53.050 0.017 0.000 0.853 228 N CB -0.682 37.820 38.487 0.026 0.000 1.051 228 N HN 0.817 nan 8.380 nan 0.000 0.423 229 K N -0.037 120.380 120.400 0.028 0.000 2.000 229 K HA -0.118 4.202 4.320 0.001 0.000 0.218 229 K C 2.782 179.409 176.600 0.045 0.000 1.053 229 K CA 3.191 59.502 56.287 0.040 0.000 0.946 229 K CB -1.850 30.666 32.500 0.026 0.000 0.723 229 K HN 1.024 nan 8.250 nan 0.000 0.446 230 K N 0.139 120.546 120.400 0.011 0.000 2.242 230 K HA -0.163 4.157 4.320 0.001 0.000 0.206 230 K C 2.613 179.230 176.600 0.029 0.000 1.045 230 K CA 2.771 59.056 56.287 -0.003 0.000 0.930 230 K CB -1.328 31.137 32.500 -0.059 0.000 0.726 230 K HN 0.860 nan 8.250 nan 0.000 0.462 231 R N -0.894 119.631 120.500 0.043 0.000 2.146 231 R HA 0.240 4.581 4.340 0.001 0.000 0.206 231 R C 2.779 179.259 176.300 0.300 0.000 1.049 231 R CA 1.541 57.752 56.100 0.185 0.000 1.029 231 R CB -1.427 28.930 30.300 0.095 0.000 0.949 231 R HN 0.806 nan 8.270 nan 0.000 0.471 232 Q N 0.215 120.126 119.800 0.186 0.000 2.096 232 Q HA 0.038 4.379 4.340 0.001 0.000 0.204 232 Q C 1.888 178.012 176.000 0.207 0.000 0.982 232 Q CA 2.049 57.964 55.803 0.187 0.000 0.850 232 Q CB -1.018 27.792 28.738 0.120 0.000 0.901 232 Q HN 0.986 nan 8.270 nan 0.000 0.422 233 R N -1.313 119.291 120.500 0.174 0.000 2.700 233 R HA 0.693 5.033 4.340 0.001 0.000 0.253 233 R C 0.999 177.425 176.300 0.210 0.000 1.091 233 R CA 0.174 56.364 56.100 0.150 0.000 1.104 233 R CB -0.063 30.292 30.300 0.091 0.000 1.202 233 R HN 2.019 nan 8.270 nan 0.000 0.532 234 G N 0.852 109.755 108.800 0.171 0.000 3.396 234 G HA2 0.094 4.054 3.960 0.001 0.000 0.682 234 G HA3 0.094 4.054 3.960 0.001 0.000 0.682 234 G C 0.086 175.149 174.900 0.272 0.000 0.924 234 G CA 0.008 45.246 45.100 0.230 0.000 0.770 234 G HN 1.940 nan 8.290 nan 0.000 0.484 235 S N 1.420 117.222 115.700 0.170 0.000 2.593 235 S HA 0.891 5.361 4.470 0.001 0.000 0.269 235 S C 0.228 174.829 174.600 0.002 0.000 1.334 235 S CA 0.633 58.809 58.200 -0.041 0.000 1.015 235 S CB 1.449 64.627 63.200 -0.037 0.000 0.912 235 S HN 2.012 nan 8.310 nan 0.000 0.541 236 F N -1.985 117.908 119.950 -0.095 0.000 3.016 236 F HA 0.910 5.438 4.527 0.001 0.000 0.324 236 F C -0.123 175.494 175.800 -0.305 0.000 1.196 236 F CA -0.945 56.879 58.000 -0.295 0.000 0.929 236 F CB 1.020 39.499 39.000 -0.869 0.000 1.440 236 F HN 0.736 nan 8.300 nan 0.000 0.505 237 S N -1.197 114.459 115.700 -0.073 0.000 3.341 237 S HA 0.840 5.310 4.470 0.001 0.000 0.326 237 S C -2.237 171.962 174.600 -0.668 0.000 1.178 237 S CA -0.629 57.407 58.200 -0.272 0.000 1.002 237 S CB 0.824 63.857 63.200 -0.278 0.000 1.385 237 S HN 0.536 nan 8.310 nan 0.000 0.710 238 F N 0.766 120.651 119.950 -0.108 0.000 2.591 238 F HA 0.620 5.147 4.527 0.001 0.000 0.309 238 F C 0.535 176.248 175.800 -0.144 0.000 1.098 238 F CA -0.895 57.044 58.000 -0.102 0.000 0.937 238 F CB 0.997 39.953 39.000 -0.073 0.000 1.250 238 F HN 0.614 nan 8.300 nan 0.000 0.447 239 L N 1.887 123.152 121.223 0.070 0.000 2.700 239 L HA 0.411 4.752 4.340 0.001 0.000 0.276 239 L C 1.105 177.971 176.870 -0.005 0.000 1.200 239 L CA 1.175 56.020 54.840 0.009 0.000 0.951 239 L CB -1.348 40.730 42.059 0.032 0.000 1.226 239 L HN 1.433 nan 8.230 nan 0.000 0.489 240 G N 1.089 109.856 108.800 -0.056 0.000 2.218 240 G HA2 0.472 4.432 3.960 0.001 0.000 0.216 240 G HA3 0.472 4.432 3.960 0.001 0.000 0.216 240 G C 1.586 176.435 174.900 -0.086 0.000 0.994 240 G CA 0.764 45.825 45.100 -0.064 0.000 0.637 240 G HN 3.340 nan 8.290 nan 0.000 0.505 244 T N 1.961 116.429 114.554 -0.143 0.000 2.778 244 T HA -0.162 4.188 4.350 0.001 0.000 0.269 244 T C 1.554 176.035 174.700 -0.365 0.000 1.050 244 T CA 1.603 63.576 62.100 -0.212 0.000 1.137 244 T CB -0.187 68.583 68.868 -0.164 0.000 0.860 244 T HN 0.231 nan 8.240 nan 0.000 0.468 245 L N 0.948 121.868 121.223 -0.506 0.000 2.005 245 L HA -0.005 4.336 4.340 0.001 0.000 0.207 245 L C 2.506 179.190 176.870 -0.309 0.000 1.072 245 L CA 1.945 56.448 54.840 -0.562 0.000 0.744 245 L CB -1.463 40.275 42.059 -0.535 0.000 0.895 245 L HN 0.087 nan 8.230 nan 0.000 0.433 246 T N 0.007 114.434 114.554 -0.212 0.000 2.699 246 T HA -0.186 4.165 4.350 0.001 0.000 0.268 246 T C 1.425 176.040 174.700 -0.142 0.000 1.036 246 T CA 1.787 63.799 62.100 -0.148 0.000 1.147 246 T CB -0.356 68.451 68.868 -0.103 0.000 0.862 246 T HN 0.454 nan 8.240 nan 0.000 0.446 247 D N 0.968 121.279 120.400 -0.148 0.000 2.178 247 D HA 0.043 4.683 4.640 0.001 0.000 0.202 247 D C 2.272 178.494 176.300 -0.129 0.000 0.974 247 D CA 1.024 54.950 54.000 -0.123 0.000 0.841 247 D CB -0.490 40.241 40.800 -0.115 0.000 0.953 247 D HN 0.418 nan 8.370 nan 0.000 0.478 248 A N 0.691 123.405 122.820 -0.177 0.000 1.933 248 A HA -0.136 4.185 4.320 0.001 0.000 0.218 248 A C 2.297 179.783 177.584 -0.162 0.000 1.175 248 A CA 0.886 52.819 52.037 -0.174 0.000 0.628 248 A CB -0.677 18.181 19.000 -0.236 0.000 0.814 248 A HN 0.217 nan 8.150 nan 0.000 0.444 249 I N -0.985 119.470 120.570 -0.191 0.000 2.439 249 I HA -0.246 3.924 4.170 0.001 0.000 0.251 249 I C 2.136 178.229 176.117 -0.039 0.000 1.139 249 I CA 0.691 61.893 61.300 -0.164 0.000 1.438 249 I CB -0.348 37.551 38.000 -0.169 0.000 1.085 249 I HN 0.337 nan 8.210 nan 0.000 0.427 250 C N 0.823 120.089 119.300 -0.056 0.000 2.456 250 C HA -0.026 4.435 4.460 0.001 0.000 0.279 250 C C 2.292 177.270 174.990 -0.021 0.000 1.427 250 C CA 0.394 59.392 59.018 -0.033 0.000 1.778 250 C CB -0.809 26.901 27.740 -0.049 0.000 1.842 250 C HN 0.335 nan 8.230 nan 0.000 0.531 251 K N 0.883 121.268 120.400 -0.026 0.000 2.487 251 K HA 0.056 4.377 4.320 0.001 0.000 0.192 251 K C -0.242 176.366 176.600 0.012 0.000 1.027 251 K CA 0.782 57.059 56.287 -0.016 0.000 1.054 251 K CB -0.251 32.231 32.500 -0.030 0.000 0.824 251 K HN 0.476 nan 8.250 nan 0.000 0.510 252 D N 0.328 120.754 120.400 0.044 0.000 2.804 252 D HA 0.233 4.873 4.640 0.001 0.000 0.308 252 D C -0.802 175.545 176.300 0.078 0.000 1.371 252 D CA -0.041 54.012 54.000 0.088 0.000 0.823 252 D CB 0.369 41.294 40.800 0.209 0.000 1.126 252 D HN -0.076 nan 8.370 nan 0.000 0.467 253 L N 0.831 122.076 121.223 0.036 0.000 2.573 253 L HA 0.354 4.694 4.340 0.001 0.000 0.260 253 L C 0.144 177.012 176.870 -0.002 0.000 0.997 253 L CA -0.878 53.974 54.840 0.020 0.000 0.890 253 L CB 1.292 43.361 42.059 0.018 0.000 1.179 253 L HN -0.164 nan 8.230 nan 0.000 0.439 254 R N 1.339 121.837 120.500 -0.004 0.000 2.919 254 R HA -0.059 4.282 4.340 0.001 0.000 0.271 254 R C 1.191 177.478 176.300 -0.022 0.000 0.995 254 R CA 0.301 56.394 56.100 -0.012 0.000 1.158 254 R CB 0.479 30.774 30.300 -0.010 0.000 1.071 254 R HN 0.620 nan 8.270 nan 0.000 0.476 255 E N 0.795 120.980 120.200 -0.024 0.000 2.219 255 E HA -0.230 4.120 4.350 0.001 0.000 0.198 255 E C 0.884 177.459 176.600 -0.041 0.000 0.998 255 E CA 1.728 58.109 56.400 -0.032 0.000 0.818 255 E CB -0.023 29.661 29.700 -0.027 0.000 0.741 255 E HN 0.559 nan 8.360 nan 0.000 0.477 256 D N 0.016 120.395 120.400 -0.034 0.000 2.349 256 D HA -0.073 4.567 4.640 0.001 0.000 0.224 256 D C 1.294 177.563 176.300 -0.052 0.000 1.029 256 D CA 0.431 54.408 54.000 -0.038 0.000 0.879 256 D CB 0.104 40.893 40.800 -0.019 0.000 0.906 256 D HN 0.075 nan 8.370 nan 0.000 0.528 257 E N -0.451 119.718 120.200 -0.052 0.000 2.079 257 E HA 0.195 4.545 4.350 0.001 0.000 0.191 257 E C -0.001 176.535 176.600 -0.107 0.000 0.961 257 E CA 0.100 56.465 56.400 -0.059 0.000 0.823 257 E CB 0.202 29.884 29.700 -0.029 0.000 0.789 257 E HN 0.155 nan 8.360 nan 0.000 0.459 258 L N 1.722 122.886 121.223 -0.098 0.000 2.265 258 L HA 0.344 4.684 4.340 0.001 0.000 0.289 258 L C -0.967 175.818 176.870 -0.142 0.000 1.033 258 L CA -0.045 54.725 54.840 -0.116 0.000 0.814 258 L CB 0.839 42.854 42.059 -0.074 0.000 1.203 258 L HN -0.106 nan 8.230 nan 0.000 0.423 259 R N 6.490 126.865 120.500 -0.209 0.000 2.287 259 R HA 0.459 4.799 4.340 0.001 0.000 0.316 259 R C -0.997 175.236 176.300 -0.112 0.000 1.050 259 R CA -0.676 55.308 56.100 -0.194 0.000 0.983 259 R CB 0.655 30.747 30.300 -0.347 0.000 1.140 259 R HN 0.584 nan 8.270 nan 0.000 0.528 260 L N 2.483 123.665 121.223 -0.067 0.000 2.436 260 L HA 0.175 4.516 4.340 0.001 0.000 0.265 260 L C 0.981 177.842 176.870 -0.015 0.000 1.168 260 L CA -0.412 54.406 54.840 -0.036 0.000 0.815 260 L CB 0.369 42.406 42.059 -0.036 0.000 1.109 260 L HN 0.728 nan 8.230 nan 0.000 0.462 261 N N -0.693 118.005 118.700 -0.003 0.000 2.929 261 N HA -0.218 4.522 4.740 0.001 0.000 0.234 261 N C 0.604 176.132 175.510 0.030 0.000 0.908 261 N CA 1.445 54.499 53.050 0.007 0.000 0.993 261 N CB -0.993 37.493 38.487 -0.001 0.000 1.075 261 N HN 0.895 nan 8.380 nan 0.000 0.603 262 S N 1.232 116.962 115.700 0.051 0.000 4.087 262 S HA 0.267 4.737 4.470 0.001 0.000 0.213 262 S C 0.679 175.374 174.600 0.159 0.000 1.415 262 S CA -0.402 57.868 58.200 0.117 0.000 0.893 262 S CB -0.183 63.102 63.200 0.142 0.000 1.529 262 S HN 0.405 nan 8.310 nan 0.000 0.457 263 R N 1.774 122.323 120.500 0.082 0.000 2.442 263 R HA 0.349 4.690 4.340 0.001 0.000 0.291 263 R C -0.855 175.455 176.300 0.016 0.000 1.069 263 R CA -0.267 55.860 56.100 0.045 0.000 1.022 263 R CB 0.337 30.646 30.300 0.015 0.000 0.976 263 R HN 0.208 nan 8.270 nan 0.000 0.443 264 V N 7.236 127.125 119.914 -0.042 0.000 2.508 264 V HA 0.014 4.135 4.120 0.001 0.000 0.281 264 V C 1.140 177.181 176.094 -0.087 0.000 1.041 264 V CA 0.132 62.352 62.300 -0.134 0.000 1.016 264 V CB 1.030 32.709 31.823 -0.240 0.000 0.984 264 V HN 0.846 nan 8.190 nan 0.000 0.478 265 L N 3.337 124.516 121.223 -0.073 0.000 2.433 265 L HA 0.403 4.743 4.340 0.001 0.000 0.200 265 L C 1.069 177.915 176.870 -0.041 0.000 1.059 265 L CA 0.788 55.603 54.840 -0.042 0.000 0.835 265 L CB -0.028 42.020 42.059 -0.019 0.000 1.076 265 L HN 0.754 nan 8.230 nan 0.000 0.481 266 E N 0.535 120.707 120.200 -0.046 0.000 2.343 266 E HA 0.731 5.081 4.350 0.001 0.000 0.270 266 E C -1.321 175.261 176.600 -0.030 0.000 0.895 266 E CA -0.547 55.839 56.400 -0.023 0.000 0.767 266 E CB 2.106 31.809 29.700 0.004 0.000 1.248 266 E HN 0.113 nan 8.360 nan 0.000 0.440 267 L N 0.605 121.835 121.223 0.011 0.000 2.341 267 L HA 0.865 5.205 4.340 0.001 0.000 0.267 267 L C -0.545 176.430 176.870 0.176 0.000 1.009 267 L CA -1.071 53.812 54.840 0.071 0.000 0.819 267 L CB 2.532 44.598 42.059 0.012 0.000 1.323 267 L HN 0.632 nan 8.230 nan 0.000 0.425 268 S N 0.563 116.442 115.700 0.298 0.000 2.592 268 S HA 0.397 4.868 4.470 0.001 0.000 0.275 268 S C -1.004 173.652 174.600 0.094 0.000 1.169 268 S CA -0.803 57.498 58.200 0.169 0.000 0.958 268 S CB 1.403 64.655 63.200 0.088 0.000 1.095 268 S HN 0.700 nan 8.310 nan 0.000 0.471 269 C N 1.498 120.645 119.300 -0.254 0.000 2.408 269 C HA 0.951 5.411 4.460 0.001 0.000 0.321 269 C C 0.311 175.072 174.990 -0.381 0.000 1.245 269 C CA -1.000 57.617 59.018 -0.669 0.000 1.523 269 C CB 0.208 26.948 27.740 -1.667 0.000 2.178 269 C HN 0.831 nan 8.230 nan 0.000 0.488 270 S N 1.816 117.346 115.700 -0.283 0.000 2.501 270 S HA 0.841 5.311 4.470 0.001 0.000 0.301 270 S C -0.087 174.409 174.600 -0.174 0.000 1.096 270 S CA -0.430 57.666 58.200 -0.174 0.000 1.063 270 S CB 0.803 63.943 63.200 -0.100 0.000 1.042 270 S HN 0.972 nan 8.310 nan 0.000 0.494 271 C N 1.017 120.239 119.300 -0.131 0.000 3.462 271 C HA 0.985 5.445 4.460 0.001 0.000 0.298 271 C C 1.788 176.738 174.990 -0.068 0.000 3.205 271 C CA 0.429 59.384 59.018 -0.105 0.000 1.845 271 C CB -0.216 27.463 27.740 -0.103 0.000 3.397 271 C HN 1.417 nan 8.230 nan 0.000 0.473 272 T N -0.343 114.179 114.554 -0.053 0.000 1.832 272 T HA 0.228 4.578 4.350 0.001 0.000 0.683 272 T C 0.684 175.364 174.700 -0.034 0.000 1.001 272 T CA 4.159 66.237 62.100 -0.038 0.000 3.410 272 T CB -2.005 66.843 68.868 -0.033 0.000 1.978 272 T HN 2.817 nan 8.240 nan 0.000 0.420 273 E N -2.516 117.667 120.200 -0.027 0.000 3.545 273 E HA 0.381 4.732 4.350 0.001 0.000 0.217 273 E C 0.706 177.294 176.600 -0.020 0.000 1.410 273 E CA 2.028 58.414 56.400 -0.023 0.000 2.126 273 E CB -2.138 27.547 29.700 -0.025 0.000 2.100 273 E HN 2.836 nan 8.360 nan 0.000 0.518 274 D N 0.048 120.437 120.400 -0.018 0.000 2.472 274 D HA 0.900 5.540 4.640 0.001 0.000 0.234 274 D C 0.580 176.871 176.300 -0.015 0.000 1.088 274 D CA 1.659 55.650 54.000 -0.015 0.000 0.882 274 D CB -0.223 40.569 40.800 -0.013 0.000 1.037 274 D HN 2.036 nan 8.370 nan 0.000 0.520 275 S N -0.949 114.741 115.700 -0.017 0.000 6.262 275 S HA 0.927 5.397 4.470 0.001 0.000 0.149 275 S C 0.765 175.353 174.600 -0.020 0.000 1.426 275 S CA 0.936 59.126 58.200 -0.016 0.000 0.943 275 S CB -0.289 62.902 63.200 -0.014 0.000 1.595 275 S HN 2.004 nan 8.310 nan 0.000 0.527 276 A N -0.947 121.860 122.820 -0.023 0.000 3.347 276 A HA 0.871 5.191 4.320 0.001 0.000 0.100 276 A C 0.860 178.425 177.584 -0.032 0.000 1.449 276 A CA 0.813 52.832 52.037 -0.031 0.000 2.562 276 A CB -1.138 17.840 19.000 -0.036 0.000 2.850 276 A HN 2.465 nan 8.150 nan 0.000 1.227 277 I N 1.567 122.110 120.570 -0.045 0.000 3.310 277 I HA 0.323 4.493 4.170 0.001 0.000 0.345 277 I C 0.635 176.764 176.117 0.020 0.000 1.215 277 I CA 1.537 62.820 61.300 -0.028 0.000 1.472 277 I CB -2.116 35.846 38.000 -0.062 0.000 1.305 277 I HN 1.689 nan 8.210 nan 0.000 0.500 278 D N 3.978 124.383 120.400 0.008 0.000 2.278 278 D HA 0.404 5.044 4.640 0.001 0.000 0.234 278 D C 0.834 177.071 176.300 -0.104 0.000 1.344 278 D CA 0.853 54.796 54.000 -0.096 0.000 0.892 278 D CB 0.345 41.016 40.800 -0.215 0.000 1.204 278 D HN 1.794 nan 8.370 nan 0.000 0.489 279 S N -1.906 113.660 115.700 -0.223 0.000 2.745 279 S HA 0.722 5.192 4.470 0.001 0.000 0.292 279 S C -1.584 172.840 174.600 -0.294 0.000 1.127 279 S CA -0.492 57.627 58.200 -0.135 0.000 1.007 279 S CB 0.680 63.834 63.200 -0.078 0.000 1.165 279 S HN 0.669 nan 8.310 nan 0.000 0.544 280 W N 0.574 121.926 121.300 0.087 0.000 3.889 280 W HA 0.348 5.008 4.660 0.001 0.000 0.310 280 W C -1.099 175.517 176.519 0.162 0.000 1.167 280 W CA -0.627 56.779 57.345 0.102 0.000 1.299 280 W CB 1.432 30.970 29.460 0.131 0.000 1.214 280 W HN 0.775 nan 8.180 nan 0.000 0.451 281 S N 3.342 119.298 115.700 0.426 0.000 2.502 281 S HA 0.782 5.252 4.470 0.001 0.000 0.304 281 S C -0.926 173.799 174.600 0.207 0.000 1.097 281 S CA -0.719 57.652 58.200 0.285 0.000 1.045 281 S CB 1.376 64.668 63.200 0.155 0.000 1.019 281 S HN 0.378 nan 8.310 nan 0.000 0.481 282 I N 2.819 123.493 120.570 0.172 0.000 2.377 282 I HA 0.382 4.552 4.170 0.001 0.000 0.293 282 I C -1.076 175.028 176.117 -0.022 0.000 0.987 282 I CA -1.052 60.221 61.300 -0.045 0.000 1.185 282 I CB 1.519 39.290 38.000 -0.382 0.000 1.341 282 I HN 0.577 nan 8.210 nan 0.000 0.455 283 I N 5.640 126.179 120.570 -0.051 0.000 2.412 283 I HA 0.166 4.337 4.170 0.001 0.000 0.279 283 I C 0.335 176.432 176.117 -0.033 0.000 1.063 283 I CA 0.028 61.322 61.300 -0.009 0.000 1.193 283 I CB 0.688 38.692 38.000 0.005 0.000 1.370 283 I HN 0.475 nan 8.210 nan 0.000 0.479 284 S N 3.762 119.463 115.700 0.001 0.000 2.565 284 S HA 0.926 5.396 4.470 0.001 0.000 0.290 284 S C 0.192 174.830 174.600 0.063 0.000 1.150 284 S CA -0.714 57.505 58.200 0.031 0.000 1.058 284 S CB 1.946 65.229 63.200 0.139 0.000 1.032 284 S HN 0.584 nan 8.310 nan 0.000 0.510 285 A N 1.554 124.403 122.820 0.048 0.000 2.275 285 A HA 0.878 5.199 4.320 0.001 0.000 0.282 285 A C 0.428 178.043 177.584 0.050 0.000 1.275 285 A CA -0.457 51.605 52.037 0.041 0.000 0.842 285 A CB 0.399 19.414 19.000 0.025 0.000 1.280 285 A HN 1.491 nan 8.150 nan 0.000 0.508 286 S N -3.172 112.549 115.700 0.035 0.000 2.578 286 S HA 0.657 5.128 4.470 0.001 0.000 0.272 286 S C -2.051 172.560 174.600 0.018 0.000 1.145 286 S CA 0.315 58.532 58.200 0.029 0.000 0.835 286 S CB 1.063 64.282 63.200 0.033 0.000 1.104 286 S HN 0.848 nan 8.310 nan 0.000 0.458 287 P HA 0.371 nan 4.420 nan 0.000 0.286 287 P C 0.709 178.012 177.300 0.005 0.000 1.161 287 P CA 1.033 64.137 63.100 0.007 0.000 0.973 287 P CB 0.023 31.724 31.700 0.003 0.000 1.323 288 H N -1.615 117.458 119.070 0.005 0.000 2.517 288 H HA 0.627 5.184 4.556 0.001 0.000 0.282 288 H C 1.523 176.855 175.328 0.005 0.000 1.023 288 H CA 1.790 57.840 56.048 0.003 0.000 1.169 288 H CB -0.233 29.528 29.762 -0.001 0.000 1.454 288 H HN 0.570 nan 8.280 nan 0.000 0.556 289 K N -1.031 119.375 120.400 0.010 0.000 2.538 289 K HA 0.701 5.022 4.320 0.001 0.000 0.215 289 K C 1.328 177.937 176.600 0.014 0.000 1.345 289 K CA 1.559 57.854 56.287 0.013 0.000 0.985 289 K CB -0.423 32.088 32.500 0.018 0.000 1.116 289 K HN 1.739 nan 8.250 nan 0.000 0.582 290 R N -2.226 118.282 120.500 0.013 0.000 3.752 290 R HA 0.315 4.655 4.340 0.001 0.000 0.536 290 R C 1.287 177.597 176.300 0.017 0.000 0.241 290 R CA 2.627 58.734 56.100 0.013 0.000 1.666 290 R CB -2.580 27.726 30.300 0.010 0.000 1.026 290 R HN 2.438 nan 8.270 nan 0.000 0.556 291 Q N -3.100 116.709 119.800 0.016 0.000 1.881 291 Q HA 0.345 4.685 4.340 0.001 0.000 0.372 291 Q C 1.062 177.075 176.000 0.022 0.000 0.737 291 Q CA 4.763 60.577 55.803 0.018 0.000 0.914 291 Q CB -2.351 26.398 28.738 0.018 0.000 2.970 291 Q HN 3.316 nan 8.270 nan 0.000 0.753 292 S N -0.040 115.677 115.700 0.028 0.000 3.127 292 S HA 0.747 5.217 4.470 0.001 0.000 0.314 292 S C -0.358 174.271 174.600 0.047 0.000 1.238 292 S CA 1.092 59.314 58.200 0.037 0.000 1.074 292 S CB 0.634 63.853 63.200 0.032 0.000 1.417 292 S HN 2.275 nan 8.310 nan 0.000 0.597 293 E N -0.649 119.587 120.200 0.059 0.000 2.389 293 E HA 0.612 4.962 4.350 0.001 0.000 0.281 293 E C -1.239 175.415 176.600 0.089 0.000 1.111 293 E CA -0.757 55.687 56.400 0.074 0.000 0.869 293 E CB 1.014 30.770 29.700 0.093 0.000 1.259 293 E HN 0.731 nan 8.360 nan 0.000 0.434 294 E N 0.325 120.580 120.200 0.093 0.000 2.433 294 E HA 0.531 4.881 4.350 0.001 0.000 0.273 294 E C -1.385 175.291 176.600 0.126 0.000 0.950 294 E CA -0.578 55.885 56.400 0.104 0.000 0.796 294 E CB 2.167 31.909 29.700 0.070 0.000 1.330 294 E HN 0.500 nan 8.360 nan 0.000 0.455 295 E N -0.108 120.181 120.200 0.149 0.000 2.388 295 E HA 0.446 4.796 4.350 0.001 0.000 0.281 295 E C -1.581 175.019 176.600 -0.001 0.000 1.046 295 E CA -0.545 55.896 56.400 0.067 0.000 0.825 295 E CB 1.778 31.594 29.700 0.193 0.000 1.243 295 E HN 0.531 nan 8.360 nan 0.000 0.438 296 S N 1.836 117.378 115.700 -0.263 0.000 2.475 296 S HA 0.809 5.279 4.470 0.001 0.000 0.298 296 S C -0.814 173.485 174.600 -0.502 0.000 1.119 296 S CA -0.321 57.774 58.200 -0.174 0.000 1.085 296 S CB 0.401 63.554 63.200 -0.079 0.000 1.028 296 S HN 0.291 nan 8.310 nan 0.000 0.489 297 F N 0.100 120.161 119.950 0.186 0.000 2.664 297 F HA 0.485 5.012 4.527 0.001 0.000 0.329 297 F C 0.452 176.410 175.800 0.264 0.000 1.090 297 F CA -0.783 57.337 58.000 0.199 0.000 0.978 297 F CB 1.630 40.734 39.000 0.174 0.000 1.378 297 F HN 0.489 nan 8.300 nan 0.000 0.495 298 D N 0.043 120.720 120.400 0.461 0.000 2.380 298 D HA 0.343 4.984 4.640 0.001 0.000 0.212 298 D C 0.118 176.744 176.300 0.544 0.000 1.021 298 D CA 0.705 54.968 54.000 0.440 0.000 0.884 298 D CB 0.746 41.755 40.800 0.347 0.000 1.001 298 D HN 0.412 nan 8.370 nan 0.000 0.506 299 A N 0.088 123.143 122.820 0.391 0.000 2.556 299 A HA 0.647 4.968 4.320 0.001 0.000 0.294 299 A C -1.413 176.129 177.584 -0.071 0.000 1.091 299 A CA -0.514 51.616 52.037 0.156 0.000 0.704 299 A CB 2.118 21.172 19.000 0.091 0.000 1.300 299 A HN -0.112 nan 8.150 nan 0.000 0.406 300 V N 2.173 121.910 119.914 -0.295 0.000 2.567 300 V HA 0.374 4.494 4.120 0.001 0.000 0.298 300 V C -0.440 175.480 176.094 -0.290 0.000 1.047 300 V CA -0.100 61.926 62.300 -0.458 0.000 0.880 300 V CB 1.301 32.562 31.823 -0.936 0.000 1.009 300 V HN 0.816 nan 8.190 nan 0.000 0.429 304 A N 2.358 125.024 122.820 -0.256 0.000 2.406 304 A HA 0.633 4.953 4.320 0.001 0.000 0.243 304 A C -2.510 174.995 177.584 -0.132 0.000 1.082 304 A CA -0.786 51.165 52.037 -0.144 0.000 0.786 304 A CB -0.218 18.721 19.000 -0.102 0.000 1.029 304 A HN 0.117 nan 8.150 nan 0.000 0.495 305 P HA 0.077 nan 4.420 nan 0.000 0.269 305 P C 0.821 178.091 177.300 -0.050 0.000 1.215 305 P CA -0.464 62.619 63.100 -0.028 0.000 0.780 305 P CB 0.390 32.225 31.700 0.224 0.000 0.898 306 L N 3.160 124.223 121.223 -0.268 0.000 2.187 306 L HA -0.174 4.166 4.340 0.001 0.000 0.213 306 L C 2.030 178.984 176.870 0.140 0.000 1.100 306 L CA 1.719 56.555 54.840 -0.008 0.000 0.765 306 L CB -1.314 40.727 42.059 -0.031 0.000 0.904 306 L HN 0.549 nan 8.230 nan 0.000 0.437 307 C N -3.202 116.264 119.300 0.277 0.000 2.500 307 C HA 0.058 4.519 4.460 0.001 0.000 0.273 307 C C 1.968 177.007 174.990 0.081 0.000 1.428 307 C CA 0.037 59.186 59.018 0.219 0.000 1.766 307 C CB -0.796 27.105 27.740 0.269 0.000 1.817 307 C HN 0.430 nan 8.230 nan 0.000 0.543 308 D N 0.885 121.315 120.400 0.049 0.000 2.338 308 D HA 0.078 4.718 4.640 0.001 0.000 0.208 308 D C 2.345 178.648 176.300 0.006 0.000 0.997 308 D CA 0.712 54.717 54.000 0.007 0.000 0.880 308 D CB 0.189 40.979 40.800 -0.017 0.000 0.980 308 D HN 0.389 nan 8.370 nan 0.000 0.509 309 V N 1.946 121.875 119.914 0.025 0.000 2.490 309 V HA -0.273 3.847 4.120 0.001 0.000 0.250 309 V C 2.379 178.482 176.094 0.015 0.000 1.061 309 V CA 1.829 64.144 62.300 0.024 0.000 1.064 309 V CB -0.504 31.363 31.823 0.075 0.000 0.670 309 V HN 0.225 nan 8.190 nan 0.000 0.461 310 K N 2.732 123.143 120.400 0.018 0.000 2.057 310 K HA -0.108 4.212 4.320 0.001 0.000 0.207 310 K C 1.374 177.971 176.600 -0.006 0.000 1.049 310 K CA 1.592 57.879 56.287 -0.001 0.000 0.931 310 K CB -0.850 31.654 32.500 0.007 0.000 0.714 310 K HN 0.613 nan 8.250 nan 0.000 0.440 314 I N 1.576 122.187 120.570 0.069 0.000 2.441 314 I HA 0.770 4.941 4.170 0.001 0.000 0.295 314 I C -1.182 175.006 176.117 0.119 0.000 0.994 314 I CA -0.434 60.918 61.300 0.086 0.000 1.144 314 I CB 1.416 39.459 38.000 0.073 0.000 1.314 314 I HN 0.699 nan 8.210 nan 0.000 0.445 315 A N 7.195 130.065 122.820 0.084 0.000 2.498 315 A HA 0.541 4.861 4.320 0.001 0.000 0.298 315 A C -0.298 177.278 177.584 -0.013 0.000 1.075 315 A CA -0.823 51.256 52.037 0.070 0.000 0.714 315 A CB 1.687 20.722 19.000 0.058 0.000 1.299 315 A HN 0.835 nan 8.150 nan 0.000 0.407 316 K N 0.932 121.321 120.400 -0.018 0.000 2.780 316 K HA 0.192 4.513 4.320 0.001 0.000 0.169 316 K C 1.617 178.161 176.600 -0.092 0.000 1.121 316 K CA -0.110 56.120 56.287 -0.095 0.000 1.272 316 K CB -0.352 32.128 32.500 -0.033 0.000 1.772 316 K HN 0.498 nan 8.250 nan 0.000 0.475 317 R N 0.679 121.145 120.500 -0.058 0.000 2.107 317 R HA -0.078 4.262 4.340 0.001 0.000 0.223 317 R C 2.079 178.357 176.300 -0.037 0.000 1.138 317 R CA 2.508 58.574 56.100 -0.057 0.000 0.900 317 R CB -1.066 29.214 30.300 -0.033 0.000 0.814 317 R HN 0.747 nan 8.270 nan 0.000 0.437 318 G N 1.022 109.815 108.800 -0.011 0.000 2.659 318 G HA2 0.045 4.005 3.960 0.001 0.000 0.197 318 G HA3 0.045 4.005 3.960 0.001 0.000 0.197 318 G C -0.046 174.863 174.900 0.015 0.000 1.099 318 G CA -0.233 44.866 45.100 -0.002 0.000 0.759 318 G HN 0.515 nan 8.290 nan 0.000 0.715 319 N N 1.819 120.535 118.700 0.026 0.000 2.498 319 N HA 0.350 5.090 4.740 0.001 0.000 0.287 319 N C -2.908 172.645 175.510 0.071 0.000 1.097 319 N CA -1.325 51.751 53.050 0.044 0.000 0.973 319 N CB 1.852 40.367 38.487 0.046 0.000 1.153 319 N HN -0.125 nan 8.380 nan 0.000 0.472 320 P HA -0.066 nan 4.420 nan 0.000 0.279 320 P C -0.109 177.327 177.300 0.225 0.000 1.278 320 P CA 0.213 63.385 63.100 0.119 0.000 0.846 320 P CB 0.279 32.028 31.700 0.081 0.000 1.218 321 F N -2.056 117.897 119.950 0.005 0.000 2.880 321 F HA 0.264 4.792 4.527 0.001 0.000 0.346 321 F C 0.081 175.864 175.800 -0.029 0.000 1.054 321 F CA 0.014 58.017 58.000 0.005 0.000 1.151 321 F CB -0.168 38.838 39.000 0.010 0.000 1.066 321 F HN -0.023 nan 8.300 nan 0.000 0.566 322 L N -0.648 120.572 121.223 -0.005 0.000 3.533 322 L HA -0.197 4.144 4.340 0.001 0.000 0.330 322 L C -0.200 176.483 176.870 -0.312 0.000 1.150 322 L CA 1.918 56.679 54.840 -0.132 0.000 1.275 322 L CB -0.838 41.147 42.059 -0.124 0.000 1.288 322 L HN 0.260 nan 8.230 nan 0.000 0.535 323 L N -2.872 118.104 121.223 -0.412 0.000 3.474 323 L HA 0.268 4.609 4.340 0.001 0.000 0.376 323 L C 0.416 176.961 176.870 -0.541 0.000 1.298 323 L CA 0.092 54.561 54.840 -0.618 0.000 1.019 323 L CB -0.654 41.211 42.059 -0.322 0.000 1.289 323 L HN 0.615 nan 8.230 nan 0.000 0.578 324 N N 1.676 120.119 118.700 -0.428 0.000 2.530 324 N HA -0.012 4.729 4.740 0.001 0.000 0.216 324 N C 0.166 175.676 175.510 -0.000 0.000 1.315 324 N CA 0.473 53.441 53.050 -0.138 0.000 0.858 324 N CB -0.280 38.210 38.487 0.005 0.000 1.138 324 N HN 0.751 nan 8.380 nan 0.000 0.473 325 F N -2.431 117.494 119.950 -0.042 0.000 2.760 325 F HA 0.340 4.868 4.527 0.001 0.000 0.326 325 F C -0.347 175.429 175.800 -0.041 0.000 1.268 325 F CA -1.877 56.099 58.000 -0.040 0.000 0.957 325 F CB -1.262 37.707 39.000 -0.052 0.000 1.457 325 F HN -0.119 nan 8.300 nan 0.000 0.497 326 I N -0.512 119.996 120.570 -0.104 0.000 2.754 326 I HA 0.452 4.623 4.170 0.001 0.000 0.285 326 I C -1.938 174.199 176.117 0.033 0.000 1.166 326 I CA -1.555 59.716 61.300 -0.048 0.000 1.417 326 I CB 0.036 37.984 38.000 -0.087 0.000 1.382 326 I HN -0.077 nan 8.210 nan 0.000 0.588 327 P HA -0.065 nan 4.420 nan 0.000 0.310 327 P C -0.558 176.765 177.300 0.038 0.000 1.512 327 P CA 0.185 63.294 63.100 0.015 0.000 0.753 327 P CB -0.604 31.067 31.700 -0.050 0.000 1.608 328 E N -0.200 120.036 120.200 0.059 0.000 0.826 328 E HA -0.155 4.195 4.350 0.001 0.000 0.235 328 E C -0.024 176.638 176.600 0.103 0.000 0.504 328 E CA -0.080 56.375 56.400 0.092 0.000 0.724 328 E CB -0.655 29.095 29.700 0.083 0.000 0.943 328 E HN 0.140 nan 8.360 nan 0.000 0.270 329 V N 3.142 123.128 119.914 0.120 0.000 2.637 329 V HA -0.022 4.098 4.120 0.001 0.000 0.296 329 V C 0.857 176.931 176.094 -0.034 0.000 1.046 329 V CA 0.021 62.359 62.300 0.063 0.000 1.066 329 V CB 1.008 32.885 31.823 0.090 0.000 0.968 329 V HN 0.429 nan 8.190 nan 0.000 0.483 330 D N 2.057 122.396 120.400 -0.102 0.000 2.387 330 D HA 0.468 5.108 4.640 0.001 0.000 0.251 330 D C -0.923 175.149 176.300 -0.380 0.000 1.141 330 D CA 0.102 54.065 54.000 -0.062 0.000 0.987 330 D CB 1.317 42.127 40.800 0.015 0.000 1.116 330 D HN 0.458 nan 8.370 nan 0.000 0.491 331 Y N -1.044 119.298 120.300 0.069 0.000 2.553 331 Y HA 0.295 4.845 4.550 0.001 0.000 0.347 331 Y C -0.123 175.815 175.900 0.062 0.000 1.019 331 Y CA -1.081 57.053 58.100 0.057 0.000 1.032 331 Y CB 1.671 40.172 38.460 0.068 0.000 1.284 331 Y HN -0.058 nan 8.280 nan 0.000 0.466 332 V N 5.428 125.471 119.914 0.214 0.000 2.368 332 V HA 0.287 4.407 4.120 0.001 0.000 0.266 332 V C -2.191 174.042 176.094 0.232 0.000 1.045 332 V CA -1.700 60.704 62.300 0.173 0.000 0.899 332 V CB 0.613 32.506 31.823 0.117 0.000 1.006 332 V HN 0.460 nan 8.190 nan 0.000 0.470 333 P HA 0.597 nan 4.420 nan 0.000 0.288 333 P C -0.998 176.480 177.300 0.297 0.000 1.267 333 P CA -0.360 62.890 63.100 0.251 0.000 0.815 333 P CB 2.031 33.897 31.700 0.276 0.000 0.989 334 L N 0.023 121.465 121.223 0.365 0.000 2.845 334 L HA 0.550 4.890 4.340 0.001 0.000 0.256 334 L C -1.688 175.491 176.870 0.514 0.000 0.968 334 L CA -0.696 54.386 54.840 0.404 0.000 0.944 334 L CB 1.710 43.977 42.059 0.347 0.000 1.494 334 L HN 0.429 nan 8.230 nan 0.000 0.419 335 S N 0.974 116.959 115.700 0.474 0.000 2.536 335 S HA 0.782 5.252 4.470 0.001 0.000 0.298 335 S C -0.565 174.251 174.600 0.360 0.000 1.083 335 S CA -0.772 57.715 58.200 0.479 0.000 0.995 335 S CB 2.013 65.503 63.200 0.482 0.000 1.058 335 S HN 0.569 nan 8.310 nan 0.000 0.488 336 V N 2.987 123.102 119.914 0.335 0.000 2.353 336 V HA 0.301 4.422 4.120 0.001 0.000 0.264 336 V C -0.241 175.885 176.094 0.052 0.000 1.049 336 V CA -0.477 61.878 62.300 0.092 0.000 0.896 336 V CB 0.643 32.579 31.823 0.190 0.000 1.025 336 V HN 0.790 nan 8.190 nan 0.000 0.475 337 V N 6.872 126.756 119.914 -0.049 0.000 2.481 337 V HA 0.472 4.593 4.120 0.001 0.000 0.286 337 V C -0.115 175.896 176.094 -0.138 0.000 1.042 337 V CA -0.543 61.732 62.300 -0.040 0.000 0.928 337 V CB 1.768 33.568 31.823 -0.038 0.000 0.986 337 V HN 0.591 nan 8.190 nan 0.000 0.462 338 I N 4.394 124.833 120.570 -0.218 0.000 2.404 338 I HA 0.645 4.815 4.170 0.001 0.000 0.293 338 I C 0.376 176.394 176.117 -0.165 0.000 0.992 338 I CA 0.387 61.510 61.300 -0.295 0.000 1.149 338 I CB 2.081 39.609 38.000 -0.787 0.000 1.315 338 I HN 0.907 nan 8.210 nan 0.000 0.446 339 T N 0.779 115.326 114.554 -0.012 0.000 2.865 339 T HA 0.759 5.109 4.350 0.001 0.000 0.294 339 T C -0.589 174.163 174.700 0.086 0.000 1.119 339 T CA -0.762 61.369 62.100 0.051 0.000 1.007 339 T CB 1.905 70.897 68.868 0.206 0.000 1.225 339 T HN 0.476 nan 8.240 nan 0.000 0.515 340 T N 1.445 116.008 114.554 0.015 0.000 3.170 340 T HA 0.583 4.933 4.350 0.001 0.000 0.315 340 T C -1.903 172.756 174.700 -0.069 0.000 0.967 340 T CA -0.524 61.576 62.100 -0.000 0.000 1.024 340 T CB 0.005 68.863 68.868 -0.018 0.000 1.018 340 T HN 0.465 nan 8.240 nan 0.000 0.449 341 F N 2.756 122.621 119.950 -0.141 0.000 2.458 341 F HA 0.570 5.097 4.527 0.001 0.000 0.330 341 F C 0.882 176.600 175.800 -0.136 0.000 1.082 341 F CA -1.160 56.790 58.000 -0.084 0.000 0.995 341 F CB 1.303 40.295 39.000 -0.013 0.000 1.170 341 F HN 0.270 nan 8.300 nan 0.000 0.478 342 K N 2.356 122.783 120.400 0.044 0.000 2.412 342 K HA 0.128 4.448 4.320 0.001 0.000 0.281 342 K C 1.206 177.730 176.600 -0.127 0.000 1.027 342 K CA -0.110 56.134 56.287 -0.071 0.000 0.989 342 K CB 0.717 33.184 32.500 -0.056 0.000 0.935 342 K HN 0.628 nan 8.250 nan 0.000 0.475 343 R N 2.215 122.512 120.500 -0.339 0.000 2.133 343 R HA -0.226 4.114 4.340 0.001 0.000 0.247 343 R C 1.199 177.382 176.300 -0.195 0.000 1.151 343 R CA 1.635 57.428 56.100 -0.511 0.000 0.971 343 R CB -0.082 29.835 30.300 -0.637 0.000 0.866 343 R HN 0.698 nan 8.270 nan 0.000 0.447 344 E N 0.172 120.297 120.200 -0.125 0.000 2.331 344 E HA -0.128 4.222 4.350 0.001 0.000 0.199 344 E C 0.830 177.411 176.600 -0.032 0.000 1.008 344 E CA 0.629 56.991 56.400 -0.064 0.000 0.843 344 E CB -0.011 29.658 29.700 -0.051 0.000 0.761 344 E HN 0.374 nan 8.360 nan 0.000 0.507 345 N N 0.113 118.810 118.700 -0.005 0.000 2.203 345 N HA 0.041 4.782 4.740 0.001 0.000 0.207 345 N C -0.629 174.891 175.510 0.017 0.000 1.130 345 N CA 0.147 53.215 53.050 0.030 0.000 0.861 345 N CB 1.469 40.019 38.487 0.104 0.000 1.005 345 N HN -0.109 nan 8.380 nan 0.000 0.507 346 V N 1.918 121.846 119.914 0.023 0.000 2.288 346 V HA 0.164 4.285 4.120 0.001 0.000 0.266 346 V C 1.213 177.267 176.094 -0.067 0.000 1.048 346 V CA -0.351 61.959 62.300 0.017 0.000 0.842 346 V CB 1.167 33.158 31.823 0.280 0.000 1.064 346 V HN -0.006 nan 8.190 nan 0.000 0.472 347 K N 3.421 123.669 120.400 -0.253 0.000 1.991 347 K HA -0.075 4.246 4.320 0.001 0.000 0.212 347 K C 0.018 176.396 176.600 -0.369 0.000 1.049 347 K CA 1.813 57.829 56.287 -0.451 0.000 0.932 347 K CB -0.033 31.909 32.500 -0.929 0.000 0.717 347 K HN 0.673 nan 8.250 nan 0.000 0.441 348 Y N 1.104 121.378 120.300 -0.043 0.000 2.806 348 Y HA 0.278 4.829 4.550 0.001 0.000 0.364 348 Y C -2.370 173.451 175.900 -0.131 0.000 1.101 348 Y CA -2.892 55.166 58.100 -0.071 0.000 1.256 348 Y CB 0.258 38.670 38.460 -0.080 0.000 1.363 348 Y HN -0.007 nan 8.280 nan 0.000 0.592 349 P HA 0.091 nan 4.420 nan 0.000 0.269 349 P C -0.471 176.723 177.300 -0.177 0.000 1.215 349 P CA 0.139 63.136 63.100 -0.171 0.000 0.780 349 P CB 1.086 32.743 31.700 -0.073 0.000 0.898 350 L N 1.216 122.248 121.223 -0.317 0.000 2.354 350 L HA 0.462 4.803 4.340 0.001 0.000 0.269 350 L C 0.250 177.141 176.870 0.036 0.000 1.005 350 L CA -0.936 53.792 54.840 -0.186 0.000 0.819 350 L CB 2.052 43.847 42.059 -0.439 0.000 1.311 350 L HN 0.257 nan 8.230 nan 0.000 0.423 351 E N 1.093 121.416 120.200 0.204 0.000 2.249 351 E HA 0.713 5.064 4.350 0.001 0.000 0.280 351 E C -0.084 176.788 176.600 0.454 0.000 1.016 351 E CA 0.316 56.883 56.400 0.278 0.000 0.830 351 E CB 1.501 31.318 29.700 0.195 0.000 1.081 351 E HN 0.704 nan 8.360 nan 0.000 0.395 352 G N 2.569 111.642 108.800 0.456 0.000 2.320 352 G HA2 -0.110 3.850 3.960 0.001 0.000 0.274 352 G HA3 -0.110 3.850 3.960 0.001 0.000 0.274 352 G C -0.428 174.782 174.900 0.518 0.000 1.324 352 G CA -0.356 44.988 45.100 0.407 0.000 0.957 352 G HN 0.301 nan 8.290 nan 0.000 0.481 353 F N 1.305 121.197 119.950 -0.095 0.000 2.374 353 F HA 0.537 5.065 4.527 0.001 0.000 0.291 353 F C 1.808 177.269 175.800 -0.566 0.000 1.084 353 F CA 1.073 58.953 58.000 -0.199 0.000 1.413 353 F CB 0.238 39.152 39.000 -0.145 0.000 1.099 353 F HN 1.173 nan 8.300 nan 0.000 0.534 354 G N -0.880 107.525 108.800 -0.657 0.000 2.356 354 G HA2 0.458 4.419 3.960 0.001 0.000 0.281 354 G HA3 0.458 4.419 3.960 0.001 0.000 0.281 354 G C -2.063 172.491 174.900 -0.578 0.000 1.246 354 G CA -0.425 43.948 45.100 -1.211 0.000 0.889 354 G HN -0.152 nan 8.290 nan 0.000 0.486 355 V N 0.323 120.071 119.914 -0.278 0.000 2.888 355 V HA 0.663 4.783 4.120 0.001 0.000 0.309 355 V C -0.539 175.564 176.094 0.015 0.000 1.114 355 V CA -0.579 61.718 62.300 -0.006 0.000 0.940 355 V CB 1.769 33.640 31.823 0.081 0.000 1.021 355 V HN 0.694 nan 8.190 nan 0.000 0.426 356 L N 3.540 124.788 121.223 0.042 0.000 2.334 356 L HA 0.691 5.032 4.340 0.001 0.000 0.276 356 L C -0.790 176.120 176.870 0.066 0.000 1.014 356 L CA -0.938 53.921 54.840 0.031 0.000 0.815 356 L CB 2.202 44.263 42.059 0.003 0.000 1.268 356 L HN 0.380 nan 8.230 nan 0.000 0.428 357 V N 3.537 123.484 119.914 0.055 0.000 2.293 357 V HA 0.278 4.398 4.120 0.001 0.000 0.275 357 V C -2.194 173.929 176.094 0.047 0.000 1.021 357 V CA -1.779 60.562 62.300 0.069 0.000 0.815 357 V CB 1.098 32.963 31.823 0.070 0.000 1.025 357 V HN 0.582 nan 8.190 nan 0.000 0.448 358 P HA 0.047 nan 4.420 nan 0.000 0.264 358 P C 1.167 178.453 177.300 -0.022 0.000 1.193 358 P CA 0.219 63.309 63.100 -0.017 0.000 0.763 358 P CB 0.693 32.352 31.700 -0.068 0.000 0.810 359 S N 3.448 119.121 115.700 -0.045 0.000 2.423 359 S HA -0.280 4.190 4.470 0.001 0.000 0.238 359 S C 1.653 176.241 174.600 -0.019 0.000 1.028 359 S CA 1.365 59.550 58.200 -0.025 0.000 1.000 359 S CB -0.763 62.417 63.200 -0.034 0.000 0.797 359 S HN 0.487 nan 8.310 nan 0.000 0.487 360 K N 1.035 121.398 120.400 -0.062 0.000 2.439 360 K HA -0.000 4.320 4.320 0.001 0.000 0.197 360 K C 1.338 177.986 176.600 0.080 0.000 1.041 360 K CA 0.834 57.104 56.287 -0.029 0.000 0.970 360 K CB 0.000 32.421 32.500 -0.132 0.000 0.773 360 K HN 0.249 nan 8.250 nan 0.000 0.479 361 E N 0.676 120.939 120.200 0.104 0.000 2.502 361 E HA -0.091 4.260 4.350 0.001 0.000 0.194 361 E C 1.205 177.897 176.600 0.153 0.000 1.062 361 E CA 0.449 56.965 56.400 0.192 0.000 0.867 361 E CB 0.299 30.098 29.700 0.165 0.000 0.888 361 E HN 0.476 nan 8.360 nan 0.000 0.510 362 Q N 0.278 120.129 119.800 0.086 0.000 2.167 362 Q HA -0.143 4.197 4.340 0.001 0.000 0.202 362 Q C 1.648 177.670 176.000 0.037 0.000 0.970 362 Q CA 0.945 56.783 55.803 0.059 0.000 0.855 362 Q CB -0.070 28.689 28.738 0.035 0.000 0.911 362 Q HN 0.408 nan 8.270 nan 0.000 0.438 363 Q N -0.485 119.318 119.800 0.005 0.000 2.452 363 Q HA -0.081 4.259 4.340 0.001 0.000 0.214 363 Q C 0.254 176.113 176.000 -0.236 0.000 0.966 363 Q CA 0.682 56.427 55.803 -0.098 0.000 0.964 363 Q CB 0.215 28.878 28.738 -0.126 0.000 0.992 363 Q HN 0.390 nan 8.270 nan 0.000 0.517 364 H N -1.123 117.969 119.070 0.037 0.000 3.052 364 H HA 0.219 4.776 4.556 0.001 0.000 0.257 364 H C 0.912 176.260 175.328 0.033 0.000 1.193 364 H CA 0.479 56.549 56.048 0.037 0.000 1.072 364 H CB 1.669 31.459 29.762 0.047 0.000 1.685 364 H HN 0.489 nan 8.280 nan 0.000 0.630 365 G N 1.235 110.102 108.800 0.112 0.000 2.213 365 G HA2 -0.243 3.717 3.960 0.001 0.000 0.236 365 G HA3 -0.243 3.717 3.960 0.001 0.000 0.236 365 G C 0.239 175.185 174.900 0.076 0.000 0.991 365 G CA -0.022 45.127 45.100 0.081 0.000 0.629 365 G HN 0.227 nan 8.290 nan 0.000 0.517 366 L N 0.680 121.958 121.223 0.093 0.000 2.278 366 L HA 0.620 4.960 4.340 0.001 0.000 0.287 366 L C 1.555 178.465 176.870 0.067 0.000 1.072 366 L CA 0.305 55.191 54.840 0.076 0.000 0.819 366 L CB 1.048 43.157 42.059 0.084 0.000 1.176 366 L HN 0.241 nan 8.230 nan 0.000 0.435 367 K N 1.849 122.283 120.400 0.057 0.000 2.354 367 K HA 0.129 4.449 4.320 0.001 0.000 0.194 367 K C 0.902 177.538 176.600 0.061 0.000 1.038 367 K CA 0.733 57.052 56.287 0.053 0.000 1.052 367 K CB -0.046 32.480 32.500 0.043 0.000 0.861 367 K HN 0.729 nan 8.250 nan 0.000 0.535 368 T N -2.787 111.809 114.554 0.069 0.000 2.810 368 T HA 0.526 4.876 4.350 0.001 0.000 0.277 368 T C 1.198 175.953 174.700 0.092 0.000 0.973 368 T CA -0.457 61.696 62.100 0.088 0.000 0.949 368 T CB 1.026 69.950 68.868 0.093 0.000 1.075 368 T HN 0.047 nan 8.240 nan 0.000 0.537 369 L N 0.100 121.396 121.223 0.122 0.000 2.408 369 L HA 0.488 4.829 4.340 0.001 0.000 0.215 369 L C 1.365 178.292 176.870 0.094 0.000 1.081 369 L CA 0.358 55.255 54.840 0.096 0.000 0.840 369 L CB -0.195 41.926 42.059 0.103 0.000 1.002 369 L HN 1.084 nan 8.230 nan 0.000 0.468 370 G N -0.666 108.230 108.800 0.159 0.000 2.340 370 G HA2 0.341 4.301 3.960 0.001 0.000 0.300 370 G HA3 0.341 4.301 3.960 0.001 0.000 0.300 370 G C -1.374 173.678 174.900 0.253 0.000 1.488 370 G CA -0.031 45.159 45.100 0.149 0.000 0.878 370 G HN -0.125 nan 8.290 nan 0.000 0.618 371 T N -0.871 113.793 114.554 0.182 0.000 2.952 371 T HA 0.680 5.031 4.350 0.001 0.000 0.305 371 T C -0.457 174.335 174.700 0.154 0.000 1.064 371 T CA -0.665 61.556 62.100 0.201 0.000 1.008 371 T CB 1.336 70.278 68.868 0.122 0.000 1.078 371 T HN 0.689 nan 8.240 nan 0.000 0.459 372 L N 3.605 124.972 121.223 0.240 0.000 2.399 372 L HA 0.510 4.850 4.340 0.001 0.000 0.266 372 L C 0.036 177.159 176.870 0.420 0.000 1.114 372 L CA -1.035 53.923 54.840 0.196 0.000 0.804 372 L CB 0.884 43.109 42.059 0.276 0.000 1.146 372 L HN 0.719 nan 8.230 nan 0.000 0.451 373 F N 1.382 121.419 119.950 0.145 0.000 2.509 373 F HA 0.114 4.641 4.527 0.001 0.000 0.344 373 F C 1.487 177.383 175.800 0.161 0.000 1.197 373 F CA -0.747 57.355 58.000 0.170 0.000 1.294 373 F CB 0.478 39.529 39.000 0.085 0.000 1.643 373 F HN 0.650 nan 8.300 nan 0.000 0.596 374 S N 0.551 116.500 115.700 0.414 0.000 2.369 374 S HA -0.207 4.264 4.470 0.001 0.000 0.225 374 S C 1.450 176.242 174.600 0.319 0.000 1.043 374 S CA 1.492 59.906 58.200 0.356 0.000 1.074 374 S CB -0.308 63.094 63.200 0.337 0.000 0.962 374 S HN 0.636 nan 8.310 nan 0.000 0.433 379 P HA -0.140 nan 4.420 nan 0.000 0.228 379 P C 0.841 178.221 177.300 0.133 0.000 1.151 379 P CA 1.440 64.627 63.100 0.145 0.000 0.770 379 P CB 0.242 32.007 31.700 0.108 0.000 0.786 380 D N -0.449 120.041 120.400 0.149 0.000 2.317 380 D HA -0.117 4.523 4.640 0.001 0.000 0.211 380 D C 1.545 177.905 176.300 0.100 0.000 0.966 380 D CA 0.469 54.534 54.000 0.107 0.000 0.876 380 D CB -0.686 40.174 40.800 0.099 0.000 0.927 380 D HN 0.064 nan 8.370 nan 0.000 0.519 381 R N 0.651 121.235 120.500 0.141 0.000 2.339 381 R HA 0.418 4.759 4.340 0.001 0.000 0.199 381 R C 0.450 176.816 176.300 0.110 0.000 1.018 381 R CA 0.414 56.591 56.100 0.128 0.000 1.036 381 R CB -0.215 30.195 30.300 0.182 0.000 0.899 381 R HN 0.304 nan 8.270 nan 0.000 0.473 382 A N 0.653 123.525 122.820 0.087 0.000 2.583 382 A HA 0.487 4.807 4.320 0.001 0.000 0.292 382 A C -2.867 174.733 177.584 0.027 0.000 1.045 382 A CA -1.293 50.774 52.037 0.050 0.000 0.672 382 A CB 1.045 20.078 19.000 0.054 0.000 1.283 382 A HN -0.138 nan 8.150 nan 0.000 0.419 383 P HA 0.077 nan 4.420 nan 0.000 0.264 383 P C 0.663 177.951 177.300 -0.021 0.000 1.183 383 P CA -0.021 63.069 63.100 -0.017 0.000 0.763 383 P CB 0.468 32.146 31.700 -0.037 0.000 0.807 384 N N 2.813 121.503 118.700 -0.016 0.000 2.585 384 N HA -0.162 4.578 4.740 0.001 0.000 0.188 384 N C 0.368 175.838 175.510 -0.067 0.000 1.102 384 N CA 0.837 53.874 53.050 -0.020 0.000 0.920 384 N CB -0.563 37.920 38.487 -0.006 0.000 0.963 384 N HN 0.451 nan 8.380 nan 0.000 0.447 385 N N 0.113 118.762 118.700 -0.086 0.000 2.273 385 N HA 0.089 4.829 4.740 0.001 0.000 0.231 385 N C -0.379 175.019 175.510 -0.185 0.000 1.134 385 N CA -0.423 52.549 53.050 -0.129 0.000 0.856 385 N CB 0.458 38.890 38.487 -0.091 0.000 1.068 385 N HN 0.076 nan 8.380 nan 0.000 0.510 386 V N 0.002 119.796 119.914 -0.201 0.000 3.206 386 V HA 0.498 4.618 4.120 0.001 0.000 0.305 386 V C -1.914 174.053 176.094 -0.213 0.000 1.257 386 V CA -0.885 61.283 62.300 -0.219 0.000 1.057 386 V CB 2.684 34.440 31.823 -0.112 0.000 1.075 386 V HN 0.132 nan 8.190 nan 0.000 0.443 387 Y N 3.320 123.519 120.300 -0.167 0.000 2.341 387 Y HA 0.631 5.182 4.550 0.001 0.000 0.338 387 Y C -0.404 175.229 175.900 -0.445 0.000 0.965 387 Y CA -0.931 56.966 58.100 -0.338 0.000 1.108 387 Y CB 2.140 40.241 38.460 -0.598 0.000 1.180 387 Y HN 0.518 nan 8.280 nan 0.000 0.458 388 L N 5.696 126.864 121.223 -0.090 0.000 2.257 388 L HA 0.395 4.736 4.340 0.001 0.000 0.290 388 L C -1.647 175.258 176.870 0.059 0.000 1.044 388 L CA -0.604 54.216 54.840 -0.034 0.000 0.810 388 L CB -0.215 41.903 42.059 0.097 0.000 1.193 388 L HN 0.471 nan 8.230 nan 0.000 0.425 389 Y N 3.279 123.677 120.300 0.163 0.000 2.328 389 Y HA 0.390 4.940 4.550 0.001 0.000 0.337 389 Y C 0.379 176.325 175.900 0.076 0.000 0.966 389 Y CA -1.117 57.070 58.100 0.144 0.000 1.136 389 Y CB 1.851 40.390 38.460 0.132 0.000 1.170 389 Y HN 0.432 nan 8.280 nan 0.000 0.470 390 T N 3.221 117.921 114.554 0.244 0.000 2.781 390 T HA 0.234 4.584 4.350 0.001 0.000 0.305 390 T C -0.086 174.543 174.700 -0.118 0.000 1.001 390 T CA -0.355 61.753 62.100 0.013 0.000 0.950 390 T CB 0.370 69.262 68.868 0.042 0.000 0.955 390 T HN 0.503 nan 8.240 nan 0.000 0.471 391 T N 3.987 118.427 114.554 -0.189 0.000 2.859 391 T HA 0.577 4.927 4.350 0.001 0.000 0.281 391 T C -0.546 173.953 174.700 -0.335 0.000 1.005 391 T CA -0.437 61.576 62.100 -0.145 0.000 1.025 391 T CB 0.489 69.366 68.868 0.015 0.000 0.977 391 T HN 0.305 nan 8.240 nan 0.000 0.458 392 F N 1.952 121.970 119.950 0.114 0.000 2.427 392 F HA 0.601 5.128 4.527 0.001 0.000 0.346 392 F C 0.092 175.959 175.800 0.111 0.000 1.120 392 F CA -0.905 57.172 58.000 0.129 0.000 1.033 392 F CB 1.153 40.221 39.000 0.115 0.000 1.126 392 F HN 0.165 nan 8.300 nan 0.000 0.462 393 V N 2.098 122.164 119.914 0.254 0.000 2.815 393 V HA 0.931 5.051 4.120 0.001 0.000 0.314 393 V C 0.415 176.629 176.094 0.201 0.000 1.064 393 V CA -0.122 62.288 62.300 0.183 0.000 0.952 393 V CB 1.067 32.960 31.823 0.117 0.000 1.020 393 V HN 1.073 nan 8.190 nan 0.000 0.439 394 G N 2.025 110.916 108.800 0.152 0.000 2.936 394 G HA2 0.400 4.360 3.960 0.001 0.000 0.237 394 G HA3 0.400 4.360 3.960 0.001 0.000 0.237 394 G C 0.633 175.612 174.900 0.131 0.000 1.403 394 G CA 0.045 45.235 45.100 0.151 0.000 1.011 394 G HN 2.589 nan 8.290 nan 0.000 0.568 395 G N -1.473 107.417 108.800 0.150 0.000 2.888 395 G HA2 0.167 4.127 3.960 0.001 0.000 0.441 395 G HA3 0.167 4.127 3.960 0.001 0.000 0.441 395 G C 1.084 176.030 174.900 0.076 0.000 1.461 395 G CA 0.870 46.031 45.100 0.101 0.000 0.897 395 G HN 2.012 nan 8.290 nan 0.000 0.547 396 S N 0.187 115.912 115.700 0.042 0.000 2.402 396 S HA -0.240 4.230 4.470 0.001 0.000 0.233 396 S C 2.367 176.987 174.600 0.034 0.000 1.030 396 S CA 2.123 60.343 58.200 0.034 0.000 1.003 396 S CB -0.268 62.933 63.200 0.003 0.000 0.813 396 S HN 0.991 nan 8.310 nan 0.000 0.477 397 R N 1.237 121.753 120.500 0.027 0.000 2.285 397 R HA 0.071 4.411 4.340 0.001 0.000 0.213 397 R C -0.005 176.318 176.300 0.038 0.000 1.068 397 R CA 1.220 57.336 56.100 0.026 0.000 1.004 397 R CB -0.212 30.099 30.300 0.019 0.000 0.873 397 R HN 0.267 nan 8.270 nan 0.000 0.467 398 N N 0.220 118.951 118.700 0.052 0.000 3.151 398 N HA 0.129 4.870 4.740 0.001 0.000 0.219 398 N C -0.423 175.132 175.510 0.075 0.000 1.434 398 N CA -0.416 52.667 53.050 0.056 0.000 0.767 398 N CB 0.870 39.386 38.487 0.050 0.000 1.564 398 N HN 0.056 nan 8.380 nan 0.000 0.612 399 R N 0.249 120.796 120.500 0.080 0.000 2.075 399 R HA 0.042 4.383 4.340 0.001 0.000 0.232 399 R C 0.218 176.573 176.300 0.091 0.000 1.126 399 R CA 0.798 56.962 56.100 0.105 0.000 0.963 399 R CB 0.170 30.532 30.300 0.104 0.000 0.858 399 R HN 0.366 nan 8.270 nan 0.000 0.435 400 E N 0.852 121.087 120.200 0.059 0.000 2.335 400 E HA -0.053 4.297 4.350 0.001 0.000 0.191 400 E C 0.772 177.379 176.600 0.012 0.000 1.150 400 E CA 0.325 56.743 56.400 0.030 0.000 1.001 400 E CB 0.309 30.023 29.700 0.023 0.000 1.127 400 E HN 0.153 nan 8.360 nan 0.000 0.462 401 L N -1.151 120.089 121.223 0.028 0.000 2.766 401 L HA 0.295 4.636 4.340 0.001 0.000 0.241 401 L C 1.780 178.660 176.870 0.016 0.000 1.080 401 L CA 0.654 55.504 54.840 0.017 0.000 0.909 401 L CB 0.076 42.159 42.059 0.039 0.000 1.277 401 L HN 0.015 nan 8.230 nan 0.000 0.510 402 A N -0.405 122.452 122.820 0.062 0.000 2.066 402 A HA -0.082 4.238 4.320 0.001 0.000 0.218 402 A C 1.822 179.300 177.584 -0.177 0.000 1.157 402 A CA 1.168 53.278 52.037 0.121 0.000 0.670 402 A CB -0.335 18.869 19.000 0.339 0.000 0.804 402 A HN 0.408 nan 8.150 nan 0.000 0.453 403 K N -0.019 120.201 120.400 -0.300 0.000 2.410 403 K HA 0.398 4.719 4.320 0.001 0.000 0.200 403 K C 0.531 176.967 176.600 -0.274 0.000 1.023 403 K CA 0.183 56.146 56.287 -0.540 0.000 1.149 403 K CB 0.269 32.538 32.500 -0.385 0.000 0.859 403 K HN 0.411 nan 8.250 nan 0.000 0.514 404 A N 1.855 124.572 122.820 -0.171 0.000 2.386 404 A HA 0.187 4.507 4.320 0.001 0.000 0.246 404 A C 0.571 178.075 177.584 -0.135 0.000 1.089 404 A CA -0.332 51.632 52.037 -0.122 0.000 0.790 404 A CB 0.273 19.216 19.000 -0.094 0.000 1.042 404 A HN 0.319 nan 8.150 nan 0.000 0.497 405 S N 0.160 115.793 115.700 -0.111 0.000 2.585 405 S HA 0.173 4.643 4.470 0.001 0.000 0.273 405 S C 1.109 175.597 174.600 -0.186 0.000 1.339 405 S CA 0.220 58.358 58.200 -0.104 0.000 1.028 405 S CB 0.677 63.834 63.200 -0.072 0.000 0.906 405 S HN 0.830 nan 8.310 nan 0.000 0.528 406 R N 1.028 121.409 120.500 -0.199 0.000 2.139 406 R HA -0.133 4.207 4.340 0.001 0.000 0.243 406 R C 1.764 177.927 176.300 -0.229 0.000 1.145 406 R CA 2.113 58.004 56.100 -0.349 0.000 0.976 406 R CB -1.098 29.105 30.300 -0.160 0.000 0.866 406 R HN 0.851 nan 8.270 nan 0.000 0.449 407 T N 0.438 114.907 114.554 -0.142 0.000 2.639 407 T HA -0.133 4.218 4.350 0.001 0.000 0.261 407 T C 1.458 176.097 174.700 -0.102 0.000 1.053 407 T CA 1.622 63.657 62.100 -0.108 0.000 1.158 407 T CB -0.241 68.583 68.868 -0.074 0.000 0.863 407 T HN 0.399 nan 8.240 nan 0.000 0.413 408 E N 0.617 120.761 120.200 -0.094 0.000 2.147 408 E HA -0.122 4.228 4.350 0.001 0.000 0.199 408 E C 2.147 178.695 176.600 -0.087 0.000 1.005 408 E CA 0.945 57.299 56.400 -0.076 0.000 0.810 408 E CB -0.328 29.331 29.700 -0.069 0.000 0.736 408 E HN 0.391 nan 8.360 nan 0.000 0.460 409 L N 0.575 121.713 121.223 -0.141 0.000 2.093 409 L HA -0.172 4.168 4.340 0.001 0.000 0.208 409 L C 2.563 179.364 176.870 -0.114 0.000 1.085 409 L CA 1.049 55.798 54.840 -0.150 0.000 0.755 409 L CB -0.316 41.569 42.059 -0.290 0.000 0.904 409 L HN 0.063 nan 8.230 nan 0.000 0.435 410 K N -0.069 120.254 120.400 -0.128 0.000 2.097 410 K HA -0.194 4.127 4.320 0.001 0.000 0.206 410 K C 1.995 178.577 176.600 -0.031 0.000 1.049 410 K CA 1.185 57.418 56.287 -0.090 0.000 0.933 410 K CB 0.166 32.598 32.500 -0.112 0.000 0.717 410 K HN 0.201 nan 8.250 nan 0.000 0.442 411 E N 0.920 121.101 120.200 -0.031 0.000 2.028 411 E HA -0.135 4.216 4.350 0.001 0.000 0.190 411 E C 2.124 178.734 176.600 0.016 0.000 0.984 411 E CA 0.709 57.108 56.400 -0.001 0.000 0.800 411 E CB -0.136 29.558 29.700 -0.010 0.000 0.758 411 E HN 0.298 nan 8.360 nan 0.000 0.448 412 I N 0.985 121.556 120.570 0.003 0.000 2.113 412 I HA -0.262 3.909 4.170 0.001 0.000 0.242 412 I C 2.565 178.703 176.117 0.036 0.000 1.064 412 I CA 1.065 62.374 61.300 0.016 0.000 1.320 412 I CB -1.327 36.677 38.000 0.007 0.000 1.028 412 I HN -0.040 nan 8.210 nan 0.000 0.406 413 V N 0.710 120.647 119.914 0.038 0.000 2.295 413 V HA -0.287 3.833 4.120 0.001 0.000 0.246 413 V C 2.607 178.763 176.094 0.104 0.000 1.049 413 V CA 2.432 64.773 62.300 0.068 0.000 1.024 413 V CB -0.903 30.963 31.823 0.073 0.000 0.648 413 V HN 0.457 nan 8.190 nan 0.000 0.447 414 T N -0.852 113.783 114.554 0.135 0.000 2.720 414 T HA -0.238 4.113 4.350 0.001 0.000 0.268 414 T C 2.150 176.910 174.700 0.100 0.000 1.037 414 T CA 1.969 64.186 62.100 0.195 0.000 1.144 414 T CB -0.349 68.638 68.868 0.198 0.000 0.864 414 T HN 0.494 nan 8.240 nan 0.000 0.444 415 S N 0.679 116.420 115.700 0.068 0.000 2.359 415 S HA -0.186 4.284 4.470 0.001 0.000 0.224 415 S C 1.750 176.370 174.600 0.033 0.000 1.035 415 S CA 1.710 59.938 58.200 0.046 0.000 1.018 415 S CB -0.527 62.696 63.200 0.039 0.000 0.876 415 S HN 0.414 nan 8.310 nan 0.000 0.448 416 D N 0.919 121.339 120.400 0.033 0.000 2.149 416 D HA 0.036 4.676 4.640 0.001 0.000 0.201 416 D C 1.922 178.213 176.300 -0.014 0.000 0.972 416 D CA 0.703 54.716 54.000 0.022 0.000 0.835 416 D CB -0.357 40.464 40.800 0.035 0.000 0.966 416 D HN 0.365 nan 8.370 nan 0.000 0.476 417 L N 0.471 121.672 121.223 -0.037 0.000 2.141 417 L HA -0.133 4.207 4.340 0.001 0.000 0.209 417 L C 2.366 179.144 176.870 -0.154 0.000 1.094 417 L CA 0.926 55.684 54.840 -0.137 0.000 0.763 417 L CB -0.231 41.715 42.059 -0.188 0.000 0.908 417 L HN 0.026 nan 8.230 nan 0.000 0.437 418 K N 0.423 120.773 120.400 -0.084 0.000 1.973 418 K HA -0.260 4.060 4.320 0.001 0.000 0.210 418 K C 2.147 178.727 176.600 -0.033 0.000 1.045 418 K CA 1.699 57.947 56.287 -0.066 0.000 0.937 418 K CB -0.138 32.357 32.500 -0.009 0.000 0.721 418 K HN 0.203 nan 8.250 nan 0.000 0.438 419 Q N 0.403 120.202 119.800 -0.002 0.000 2.234 419 Q HA -0.147 4.193 4.340 0.001 0.000 0.206 419 Q C 1.891 177.903 176.000 0.019 0.000 0.980 419 Q CA 1.213 57.030 55.803 0.023 0.000 0.869 419 Q CB 0.105 28.861 28.738 0.031 0.000 0.912 419 Q HN 0.398 nan 8.270 nan 0.000 0.436 420 L N -0.740 120.474 121.223 -0.015 0.000 2.200 420 L HA 0.036 4.377 4.340 0.001 0.000 0.200 420 L C 1.693 178.533 176.870 -0.050 0.000 1.072 420 L CA 0.417 55.240 54.840 -0.028 0.000 0.787 420 L CB 0.173 42.208 42.059 -0.040 0.000 0.957 420 L HN 0.230 nan 8.230 nan 0.000 0.459 421 L N -0.696 120.459 121.223 -0.113 0.000 2.766 421 L HA 0.362 4.703 4.340 0.001 0.000 0.242 421 L C 0.786 177.575 176.870 -0.135 0.000 1.136 421 L CA 0.200 54.950 54.840 -0.150 0.000 0.933 421 L CB 0.131 41.993 42.059 -0.329 0.000 1.241 421 L HN 0.376 nan 8.230 nan 0.000 0.522 422 G N 1.863 110.595 108.800 -0.113 0.000 2.324 422 G HA2 -0.204 3.756 3.960 0.001 0.000 0.292 422 G HA3 -0.204 3.756 3.960 0.001 0.000 0.292 422 G C 0.233 174.978 174.900 -0.260 0.000 1.079 422 G CA 0.207 45.147 45.100 -0.267 0.000 1.026 422 G HN 0.500 nan 8.290 nan 0.000 0.506 423 A N 0.113 122.800 122.820 -0.222 0.000 2.320 423 A HA 0.673 4.994 4.320 0.001 0.000 0.287 423 A C 0.428 177.960 177.584 -0.087 0.000 1.181 423 A CA -0.180 51.686 52.037 -0.285 0.000 0.831 423 A CB 0.523 19.137 19.000 -0.644 0.000 1.102 423 A HN 0.544 nan 8.150 nan 0.000 0.513 424 E N 1.696 121.910 120.200 0.023 0.000 2.156 424 E HA 0.531 4.881 4.350 0.001 0.000 0.279 424 E C 0.661 177.382 176.600 0.201 0.000 0.965 424 E CA 0.333 56.785 56.400 0.086 0.000 0.789 424 E CB 1.482 31.197 29.700 0.024 0.000 1.098 424 E HN 1.331 nan 8.360 nan 0.000 0.397 425 G N 2.892 111.785 108.800 0.155 0.000 2.632 425 G HA2 -0.210 3.750 3.960 0.001 0.000 0.224 425 G HA3 -0.210 3.750 3.960 0.001 0.000 0.224 425 G C -0.598 174.386 174.900 0.140 0.000 1.341 425 G CA -0.802 44.369 45.100 0.119 0.000 0.880 425 G HN 0.471 nan 8.290 nan 0.000 0.566 426 E N 0.906 121.099 120.200 -0.012 0.000 2.319 426 E HA 0.396 4.747 4.350 0.001 0.000 0.268 426 E C -1.429 174.881 176.600 -0.483 0.000 1.050 426 E CA -1.720 54.598 56.400 -0.136 0.000 0.878 426 E CB 0.679 30.311 29.700 -0.114 0.000 1.066 426 E HN 0.173 nan 8.360 nan 0.000 0.406 427 P HA -0.133 nan 4.420 nan 0.000 0.225 427 P C 0.304 177.216 177.300 -0.645 0.000 1.141 427 P CA 1.350 63.813 63.100 -1.060 0.000 0.774 427 P CB 0.219 31.631 31.700 -0.480 0.000 0.760 428 T N -5.009 109.317 114.554 -0.381 0.000 10.222 428 T HA -0.288 4.063 4.350 0.001 0.000 0.382 428 T C -0.030 174.651 174.700 -0.031 0.000 1.698 428 T CA 2.004 63.991 62.100 -0.187 0.000 2.662 428 T CB -1.516 67.242 68.868 -0.185 0.000 2.712 428 T HN 0.338 nan 8.240 nan 0.000 1.066 429 Y N -0.757 119.404 120.300 -0.231 0.000 2.522 429 Y HA 0.463 5.013 4.550 0.001 0.000 0.326 429 Y C -2.041 173.749 175.900 -0.183 0.000 1.198 429 Y CA -0.975 57.025 58.100 -0.167 0.000 1.112 429 Y CB 1.210 39.586 38.460 -0.139 0.000 1.342 429 Y HN 0.039 nan 8.280 nan 0.000 0.460 430 V N 5.635 125.003 119.914 -0.909 0.000 2.851 430 V HA 0.634 4.755 4.120 0.001 0.000 0.307 430 V C -1.106 174.546 176.094 -0.738 0.000 1.129 430 V CA -0.829 61.088 62.300 -0.638 0.000 0.932 430 V CB 2.052 33.666 31.823 -0.348 0.000 1.024 430 V HN 0.807 nan 8.190 nan 0.000 0.426 431 N N 1.561 119.981 118.700 -0.467 0.000 2.927 431 N HA 0.616 5.357 4.740 0.001 0.000 0.248 431 N C -1.898 173.594 175.510 -0.029 0.000 1.443 431 N CA -0.338 52.570 53.050 -0.236 0.000 0.870 431 N CB 2.648 40.977 38.487 -0.262 0.000 1.444 431 N HN 1.068 nan 8.380 nan 0.000 0.519 432 H N -0.325 118.697 119.070 -0.079 0.000 2.969 432 H HA 0.465 5.021 4.556 0.001 0.000 0.304 432 H C -2.060 173.294 175.328 0.043 0.000 1.400 432 H CA -0.595 55.440 56.048 -0.022 0.000 1.182 432 H CB 0.508 30.246 29.762 -0.039 0.000 1.865 432 H HN 0.429 nan 8.280 nan 0.000 0.512 433 L N 2.097 123.233 121.223 -0.145 0.000 2.401 433 L HA 0.480 4.821 4.340 0.001 0.000 0.266 433 L C -1.746 175.026 176.870 -0.164 0.000 0.991 433 L CA -0.818 53.842 54.840 -0.300 0.000 0.818 433 L CB 1.759 43.676 42.059 -0.236 0.000 1.321 433 L HN 0.646 nan 8.230 nan 0.000 0.413 434 Y N 3.516 123.588 120.300 -0.380 0.000 2.334 434 Y HA 0.568 5.119 4.550 0.001 0.000 0.336 434 Y C -1.759 173.999 175.900 -0.236 0.000 0.960 434 Y CA -1.257 56.752 58.100 -0.150 0.000 1.164 434 Y CB 0.855 39.294 38.460 -0.037 0.000 1.155 434 Y HN 0.579 nan 8.280 nan 0.000 0.478 435 W N 5.006 126.081 121.300 -0.374 0.000 2.349 435 W HA 0.374 5.035 4.660 0.001 0.000 0.309 435 W C 1.118 177.172 176.519 -0.774 0.000 1.083 435 W CA -0.451 56.602 57.345 -0.486 0.000 1.224 435 W CB 1.677 31.016 29.460 -0.202 0.000 1.256 435 W HN 0.689 nan 8.180 nan 0.000 0.461 436 S N 1.503 116.797 115.700 -0.676 0.000 2.496 436 S HA 0.052 4.522 4.470 0.001 0.000 0.224 436 S C 0.583 175.143 174.600 -0.066 0.000 0.996 436 S CA 0.412 58.368 58.200 -0.407 0.000 0.927 436 S CB -0.027 63.030 63.200 -0.239 0.000 0.774 436 S HN 0.520 nan 8.310 nan 0.000 0.524 437 K N 0.735 121.101 120.400 -0.057 0.000 3.029 437 K HA 0.529 4.849 4.320 0.001 0.000 0.169 437 K C 0.680 177.287 176.600 0.012 0.000 1.090 437 K CA 0.162 56.428 56.287 -0.035 0.000 0.883 437 K CB 1.058 33.307 32.500 -0.418 0.000 1.080 437 K HN 0.209 nan 8.250 nan 0.000 0.613 438 A N 1.324 124.172 122.820 0.048 0.000 1.851 438 A HA -0.008 4.312 4.320 0.001 0.000 0.216 438 A C 0.301 177.652 177.584 -0.388 0.000 1.195 438 A CA 1.327 53.232 52.037 -0.221 0.000 0.622 438 A CB -0.128 18.829 19.000 -0.072 0.000 0.831 438 A HN 0.377 nan 8.150 nan 0.000 0.444 439 F N -1.895 118.043 119.950 -0.020 0.000 2.588 439 F HA 0.516 5.043 4.527 0.001 0.000 0.314 439 F C -2.760 172.998 175.800 -0.071 0.000 1.069 439 F CA -2.799 55.146 58.000 -0.092 0.000 0.931 439 F CB 1.626 40.494 39.000 -0.221 0.000 1.260 439 F HN -0.188 nan 8.300 nan 0.000 0.465 440 P HA 0.148 nan 4.420 nan 0.000 0.276 440 P C -0.844 176.209 177.300 -0.412 0.000 1.235 440 P CA -0.126 62.725 63.100 -0.415 0.000 0.772 440 P CB 0.663 32.040 31.700 -0.538 0.000 0.871 441 L N 5.610 126.582 121.223 -0.418 0.000 2.282 441 L HA 0.216 4.557 4.340 0.001 0.000 0.287 441 L C -0.390 176.249 176.870 -0.385 0.000 1.075 441 L CA -0.397 54.243 54.840 -0.334 0.000 0.839 441 L CB -1.046 40.889 42.059 -0.207 0.000 1.219 441 L HN 0.405 nan 8.230 nan 0.000 0.434 442 Y N 4.722 124.554 120.300 -0.780 0.000 2.517 442 Y HA 0.120 4.671 4.550 0.001 0.000 0.341 442 Y C 1.422 177.014 175.900 -0.513 0.000 1.247 442 Y CA -0.559 56.816 58.100 -1.208 0.000 1.774 442 Y CB 0.054 38.008 38.460 -0.842 0.000 1.641 442 Y HN 0.763 nan 8.280 nan 0.000 0.457 443 G N 0.193 108.917 108.800 -0.127 0.000 2.666 443 G HA2 0.154 4.114 3.960 0.001 0.000 0.207 443 G HA3 0.154 4.114 3.960 0.001 0.000 0.207 443 G C 0.982 175.921 174.900 0.065 0.000 1.481 443 G CA 0.459 45.567 45.100 0.014 0.000 1.071 443 G HN 0.661 nan 8.290 nan 0.000 0.572 444 H N -0.493 118.625 119.070 0.081 0.000 2.261 444 H HA -0.091 4.466 4.556 0.001 0.000 0.301 444 H C 2.105 177.430 175.328 -0.005 0.000 1.067 444 H CA 1.759 57.851 56.048 0.074 0.000 1.297 444 H CB -1.339 28.533 29.762 0.184 0.000 1.377 444 H HN 0.700 nan 8.280 nan 0.000 0.492 445 N N -1.225 117.511 118.700 0.059 0.000 2.523 445 N HA -0.010 4.730 4.740 0.001 0.000 0.208 445 N C 0.562 176.065 175.510 -0.011 0.000 1.313 445 N CA 0.252 53.312 53.050 0.017 0.000 0.853 445 N CB -0.369 38.143 38.487 0.041 0.000 1.090 445 N HN 0.616 nan 8.380 nan 0.000 0.463 446 Y N 1.128 121.351 120.300 -0.129 0.000 2.561 446 Y HA -0.005 4.545 4.550 0.001 0.000 0.291 446 Y C 1.094 176.880 175.900 -0.189 0.000 1.141 446 Y CA 0.543 58.546 58.100 -0.162 0.000 1.303 446 Y CB 0.236 38.578 38.460 -0.196 0.000 1.015 446 Y HN 0.184 nan 8.280 nan 0.000 0.547 447 D N -1.575 118.750 120.400 -0.126 0.000 2.224 447 D HA -0.139 4.501 4.640 0.001 0.000 0.205 447 D C 2.278 178.492 176.300 -0.145 0.000 0.965 447 D CA 1.477 55.398 54.000 -0.133 0.000 0.852 447 D CB -0.303 40.415 40.800 -0.136 0.000 0.947 447 D HN 0.385 nan 8.370 nan 0.000 0.494 448 S N -0.208 115.403 115.700 -0.148 0.000 2.439 448 S HA -0.026 4.444 4.470 0.001 0.000 0.224 448 S C 2.135 176.623 174.600 -0.188 0.000 1.029 448 S CA 0.233 58.357 58.200 -0.128 0.000 0.946 448 S CB -0.422 62.731 63.200 -0.078 0.000 0.797 448 S HN 0.045 nan 8.310 nan 0.000 0.504 449 V N 2.975 122.702 119.914 -0.310 0.000 2.252 449 V HA -0.202 3.918 4.120 0.001 0.000 0.249 449 V C 2.615 178.486 176.094 -0.371 0.000 1.056 449 V CA 2.198 64.248 62.300 -0.416 0.000 1.022 449 V CB -1.069 30.245 31.823 -0.848 0.000 0.641 449 V HN 0.490 nan 8.190 nan 0.000 0.445 450 L N -0.133 120.855 121.223 -0.393 0.000 2.081 450 L HA -0.240 4.101 4.340 0.001 0.000 0.212 450 L C 2.394 179.155 176.870 -0.182 0.000 1.080 450 L CA 1.718 56.393 54.840 -0.275 0.000 0.754 450 L CB -0.920 41.005 42.059 -0.224 0.000 0.893 450 L HN 0.408 nan 8.230 nan 0.000 0.433 451 D N 0.275 120.585 120.400 -0.150 0.000 2.117 451 D HA -0.172 4.469 4.640 0.001 0.000 0.197 451 D C 2.236 178.489 176.300 -0.080 0.000 0.987 451 D CA 1.624 55.568 54.000 -0.093 0.000 0.829 451 D CB 0.078 40.834 40.800 -0.074 0.000 0.961 451 D HN 0.382 nan 8.370 nan 0.000 0.460 452 A N 1.136 123.897 122.820 -0.098 0.000 1.898 452 A HA -0.120 4.200 4.320 0.001 0.000 0.216 452 A C 2.378 179.911 177.584 -0.085 0.000 1.181 452 A CA 0.752 52.752 52.037 -0.062 0.000 0.620 452 A CB -0.701 18.261 19.000 -0.063 0.000 0.819 452 A HN 0.164 nan 8.150 nan 0.000 0.442 453 I N 0.062 120.526 120.570 -0.175 0.000 2.264 453 I HA -0.257 3.913 4.170 0.001 0.000 0.248 453 I C 1.690 177.738 176.117 -0.116 0.000 1.111 453 I CA 1.548 62.710 61.300 -0.231 0.000 1.382 453 I CB -0.447 37.328 38.000 -0.375 0.000 1.060 453 I HN 0.320 nan 8.210 nan 0.000 0.418 454 D N 0.737 121.086 120.400 -0.086 0.000 2.162 454 D HA -0.080 4.560 4.640 0.001 0.000 0.203 454 D C 1.355 177.643 176.300 -0.020 0.000 0.967 454 D CA 0.596 54.570 54.000 -0.044 0.000 0.840 454 D CB 0.013 40.791 40.800 -0.036 0.000 0.972 454 D HN 0.295 nan 8.370 nan 0.000 0.482 458 K N 1.431 121.797 120.400 -0.055 0.000 2.211 458 K HA -0.077 4.244 4.320 0.001 0.000 0.203 458 K C 1.675 178.269 176.600 -0.011 0.000 1.050 458 K CA 1.474 57.745 56.287 -0.027 0.000 0.945 458 K CB -0.068 32.432 32.500 -0.000 0.000 0.732 458 K HN -0.015 nan 8.250 nan 0.000 0.451 459 N N 0.820 119.522 118.700 0.003 0.000 2.191 459 N HA -0.098 4.642 4.740 0.001 0.000 0.193 459 N C -0.146 175.344 175.510 -0.034 0.000 1.053 459 N CA 0.411 53.474 53.050 0.022 0.000 0.943 459 N CB -0.296 38.254 38.487 0.104 0.000 1.119 459 N HN -0.159 nan 8.380 nan 0.000 0.487 460 L N 2.164 123.339 121.223 -0.080 0.000 2.774 460 L HA 0.178 4.519 4.340 0.001 0.000 0.279 460 L C -2.044 174.830 176.870 0.007 0.000 1.137 460 L CA -0.721 54.086 54.840 -0.055 0.000 1.021 460 L CB -0.827 41.220 42.059 -0.019 0.000 1.366 460 L HN 0.376 nan 8.230 nan 0.000 0.471 461 P HA 0.251 nan 4.420 nan 0.000 0.269 461 P C 0.905 178.241 177.300 0.061 0.000 1.209 461 P CA 0.627 63.743 63.100 0.026 0.000 0.776 461 P CB 0.884 32.652 31.700 0.114 0.000 0.876 462 G N 1.157 109.772 108.800 -0.309 0.000 2.363 462 G HA2 -0.274 3.687 3.960 0.001 0.000 0.238 462 G HA3 -0.274 3.687 3.960 0.001 0.000 0.238 462 G C -0.116 174.590 174.900 -0.323 0.000 1.062 462 G CA 0.033 44.736 45.100 -0.660 0.000 0.629 462 G HN 0.610 nan 8.290 nan 0.000 0.514 463 L N 1.701 122.769 121.223 -0.258 0.000 2.361 463 L HA 0.732 5.073 4.340 0.001 0.000 0.278 463 L C -0.762 175.804 176.870 -0.507 0.000 1.113 463 L CA -0.592 54.031 54.840 -0.362 0.000 0.849 463 L CB 0.002 41.890 42.059 -0.286 0.000 1.155 463 L HN 0.085 nan 8.230 nan 0.000 0.452 464 F N 5.194 125.037 119.950 -0.178 0.000 2.493 464 F HA 0.345 4.872 4.527 0.001 0.000 0.329 464 F C -0.504 175.258 175.800 -0.064 0.000 1.126 464 F CA -0.581 57.366 58.000 -0.088 0.000 0.937 464 F CB 1.136 40.080 39.000 -0.095 0.000 1.146 464 F HN 0.355 nan 8.300 nan 0.000 0.442 465 Y N 2.037 122.359 120.300 0.036 0.000 2.320 465 Y HA 0.639 5.190 4.550 0.001 0.000 0.324 465 Y C 0.029 175.941 175.900 0.020 0.000 1.190 465 Y CA -0.744 57.348 58.100 -0.014 0.000 1.215 465 Y CB 1.663 40.096 38.460 -0.045 0.000 1.221 465 Y HN 0.664 nan 8.280 nan 0.000 0.486 466 A N 4.064 126.749 122.820 -0.225 0.000 2.816 466 A HA 0.420 4.741 4.320 0.001 0.000 0.208 466 A C 0.509 178.005 177.584 -0.147 0.000 0.896 466 A CA 0.106 52.112 52.037 -0.051 0.000 1.183 466 A CB -0.818 18.148 19.000 -0.056 0.000 1.249 466 A HN 1.000 nan 8.150 nan 0.000 0.484 467 G N 1.040 109.657 108.800 -0.305 0.000 2.522 467 G HA2 0.235 4.195 3.960 0.001 0.000 0.223 467 G HA3 0.235 4.195 3.960 0.001 0.000 0.223 467 G C 0.657 175.680 174.900 0.204 0.000 1.565 467 G CA 0.665 45.715 45.100 -0.082 0.000 1.053 467 G HN 0.724 nan 8.290 nan 0.000 0.547 468 N N -2.189 116.739 118.700 0.380 0.000 2.194 468 N HA 0.048 4.789 4.740 0.001 0.000 0.231 468 N C 0.762 176.564 175.510 0.487 0.000 1.247 468 N CA -0.085 53.168 53.050 0.339 0.000 0.884 468 N CB -0.184 38.429 38.487 0.210 0.000 1.146 468 N HN 0.683 nan 8.380 nan 0.000 0.516 469 H N -0.463 118.827 119.070 0.367 0.000 2.539 469 H HA 0.228 4.784 4.556 0.001 0.000 0.267 469 H C 1.284 176.769 175.328 0.261 0.000 0.982 469 H CA -0.030 56.272 56.048 0.424 0.000 1.146 469 H CB 1.415 31.377 29.762 0.333 0.000 1.382 469 H HN 0.201 nan 8.280 nan 0.000 0.577 470 R N 0.282 120.974 120.500 0.321 0.000 1.933 470 R HA 0.058 4.399 4.340 0.001 0.000 0.167 470 R C 2.414 178.782 176.300 0.113 0.000 1.823 470 R CA 0.699 56.876 56.100 0.128 0.000 1.418 470 R CB -0.400 29.975 30.300 0.124 0.000 1.174 470 R HN 0.230 nan 8.270 nan 0.000 0.476 471 G N 0.084 108.965 108.800 0.135 0.000 2.507 471 G HA2 0.017 3.977 3.960 0.001 0.000 0.221 471 G HA3 0.017 3.977 3.960 0.001 0.000 0.221 471 G C 0.454 175.431 174.900 0.128 0.000 1.119 471 G CA 1.184 46.347 45.100 0.106 0.000 0.751 471 G HN 0.752 nan 8.290 nan 0.000 0.574 472 G N -1.416 107.511 108.800 0.213 0.000 2.326 472 G HA2 0.386 4.347 3.960 0.001 0.000 0.478 472 G HA3 0.386 4.347 3.960 0.001 0.000 0.478 472 G C -0.878 174.083 174.900 0.102 0.000 1.551 472 G CA -0.509 44.710 45.100 0.198 0.000 0.946 472 G HN 0.900 nan 8.290 nan 0.000 0.671 473 L N 0.665 121.873 121.223 -0.026 0.000 2.375 473 L HA 0.785 5.125 4.340 0.001 0.000 0.276 473 L C 0.522 177.379 176.870 -0.023 0.000 1.162 473 L CA -1.141 53.682 54.840 -0.028 0.000 0.991 473 L CB -0.155 41.865 42.059 -0.065 0.000 1.315 473 L HN 1.380 nan 8.230 nan 0.000 0.431 474 S N -0.106 115.587 115.700 -0.012 0.000 2.560 474 S HA 0.451 4.921 4.470 0.001 0.000 0.283 474 S C 0.658 175.242 174.600 -0.027 0.000 1.141 474 S CA -0.442 57.739 58.200 -0.033 0.000 0.902 474 S CB 1.089 64.257 63.200 -0.053 0.000 1.104 474 S HN 0.059 nan 8.310 nan 0.000 0.454 475 V N 2.967 122.856 119.914 -0.042 0.000 2.250 475 V HA -0.216 3.905 4.120 0.001 0.000 0.253 475 V C 2.875 178.967 176.094 -0.005 0.000 1.065 475 V CA 2.830 65.112 62.300 -0.030 0.000 1.039 475 V CB -1.733 30.072 31.823 -0.031 0.000 0.647 475 V HN 1.113 nan 8.190 nan 0.000 0.446 476 G N -0.261 108.535 108.800 -0.006 0.000 2.491 476 G HA2 -0.280 3.681 3.960 0.001 0.000 0.218 476 G HA3 -0.280 3.681 3.960 0.001 0.000 0.218 476 G C 1.646 176.564 174.900 0.029 0.000 1.180 476 G CA 1.080 46.193 45.100 0.021 0.000 0.774 476 G HN 0.409 nan 8.290 nan 0.000 0.562 477 K N 0.814 121.226 120.400 0.021 0.000 1.985 477 K HA 0.004 4.325 4.320 0.001 0.000 0.210 477 K C 3.001 179.624 176.600 0.038 0.000 1.047 477 K CA 1.269 57.576 56.287 0.033 0.000 0.932 477 K CB -1.021 31.501 32.500 0.037 0.000 0.716 477 K HN 0.245 nan 8.250 nan 0.000 0.439 478 A N 1.819 124.659 122.820 0.034 0.000 1.986 478 A HA -0.178 4.142 4.320 0.001 0.000 0.220 478 A C 2.279 179.874 177.584 0.018 0.000 1.171 478 A CA 1.508 53.564 52.037 0.031 0.000 0.640 478 A CB -0.711 18.300 19.000 0.018 0.000 0.811 478 A HN 0.331 nan 8.150 nan 0.000 0.451 479 L N -0.703 120.531 121.223 0.018 0.000 2.046 479 L HA -0.165 4.175 4.340 0.001 0.000 0.208 479 L C 2.593 179.478 176.870 0.025 0.000 1.077 479 L CA 1.998 56.851 54.840 0.021 0.000 0.747 479 L CB -0.227 41.854 42.059 0.037 0.000 0.896 479 L HN 0.337 nan 8.230 nan 0.000 0.432 480 S N -0.401 115.317 115.700 0.030 0.000 2.368 480 S HA -0.169 4.302 4.470 0.001 0.000 0.224 480 S C 2.052 176.659 174.600 0.012 0.000 1.029 480 S CA 1.403 59.616 58.200 0.022 0.000 0.988 480 S CB -0.273 62.946 63.200 0.031 0.000 0.838 480 S HN 0.774 nan 8.310 nan 0.000 0.462 481 S N 1.342 117.055 115.700 0.022 0.000 2.442 481 S HA -0.019 4.451 4.470 0.001 0.000 0.236 481 S C 1.964 176.563 174.600 -0.002 0.000 1.007 481 S CA 1.081 59.296 58.200 0.024 0.000 0.965 481 S CB -0.858 62.374 63.200 0.054 0.000 0.773 481 S HN 0.504 nan 8.310 nan 0.000 0.504 482 G N 0.665 109.458 108.800 -0.011 0.000 2.394 482 G HA2 -0.137 3.823 3.960 0.001 0.000 0.214 482 G HA3 -0.137 3.823 3.960 0.001 0.000 0.214 482 G C 1.543 176.420 174.900 -0.040 0.000 1.176 482 G CA 0.879 45.961 45.100 -0.030 0.000 0.786 482 G HN 0.619 nan 8.290 nan 0.000 0.533 483 C N 0.319 119.601 119.300 -0.030 0.000 2.436 483 C HA -0.060 4.401 4.460 0.001 0.000 0.277 483 C C 2.725 177.662 174.990 -0.087 0.000 1.241 483 C CA 1.158 60.142 59.018 -0.056 0.000 1.721 483 C CB -1.113 26.589 27.740 -0.064 0.000 2.043 483 C HN 0.565 nan 8.230 nan 0.000 0.472 484 N N 0.628 119.287 118.700 -0.067 0.000 2.364 484 N HA -0.075 4.666 4.740 0.001 0.000 0.183 484 N C 1.510 176.961 175.510 -0.100 0.000 1.022 484 N CA 1.334 54.342 53.050 -0.070 0.000 0.883 484 N CB -0.108 38.361 38.487 -0.030 0.000 0.965 484 N HN 0.514 nan 8.380 nan 0.000 0.438 485 A N -0.068 122.691 122.820 -0.101 0.000 1.930 485 A HA 0.225 4.545 4.320 0.001 0.000 0.215 485 A C 2.284 179.705 177.584 -0.272 0.000 1.176 485 A CA 1.274 53.217 52.037 -0.156 0.000 0.632 485 A CB -0.966 17.979 19.000 -0.092 0.000 0.819 485 A HN 0.348 nan 8.150 nan 0.000 0.445 486 A N 1.530 124.233 122.820 -0.194 0.000 1.865 486 A HA -0.219 4.102 4.320 0.001 0.000 0.217 486 A C 1.640 179.074 177.584 -0.250 0.000 1.191 486 A CA 2.102 54.019 52.037 -0.199 0.000 0.623 486 A CB -0.828 18.095 19.000 -0.129 0.000 0.826 486 A HN 0.635 nan 8.150 nan 0.000 0.444 487 D N -0.916 119.348 120.400 -0.227 0.000 2.363 487 D HA 0.043 4.683 4.640 0.001 0.000 0.226 487 D C 1.328 177.487 176.300 -0.234 0.000 1.020 487 D CA 0.296 54.156 54.000 -0.232 0.000 0.892 487 D CB -0.228 40.457 40.800 -0.191 0.000 0.900 487 D HN 0.306 nan 8.370 nan 0.000 0.531 488 L N -0.014 121.015 121.223 -0.324 0.000 2.127 488 L HA 0.021 4.361 4.340 0.001 0.000 0.203 488 L C 2.373 178.885 176.870 -0.597 0.000 1.080 488 L CA 0.703 55.308 54.840 -0.392 0.000 0.768 488 L CB -0.179 41.587 42.059 -0.488 0.000 0.924 488 L HN -0.062 nan 8.230 nan 0.000 0.444 489 V N -0.191 119.254 119.914 -0.782 0.000 2.287 489 V HA -0.326 3.794 4.120 0.001 0.000 0.248 489 V C 2.385 178.399 176.094 -0.134 0.000 1.053 489 V CA 2.054 64.020 62.300 -0.556 0.000 1.027 489 V CB -0.394 31.202 31.823 -0.378 0.000 0.646 489 V HN 0.348 nan 8.190 nan 0.000 0.447 490 I N -0.196 120.266 120.570 -0.180 0.000 2.335 490 I HA -0.270 3.901 4.170 0.001 0.000 0.251 490 I C 2.653 178.741 176.117 -0.049 0.000 1.129 490 I CA 1.825 63.042 61.300 -0.138 0.000 1.402 490 I CB -0.364 37.446 38.000 -0.318 0.000 1.069 490 I HN 0.343 nan 8.210 nan 0.000 0.424 491 S N 0.010 115.686 115.700 -0.039 0.000 2.371 491 S HA -0.239 4.231 4.470 0.001 0.000 0.224 491 S C 2.142 176.811 174.600 0.115 0.000 1.029 491 S CA 1.069 59.286 58.200 0.029 0.000 0.978 491 S CB -0.367 62.853 63.200 0.033 0.000 0.833 491 S HN 0.546 nan 8.310 nan 0.000 0.466 492 Y N 2.214 122.546 120.300 0.054 0.000 2.224 492 Y HA -0.081 4.470 4.550 0.001 0.000 0.289 492 Y C 1.976 177.936 175.900 0.100 0.000 1.146 492 Y CA 1.646 59.834 58.100 0.147 0.000 1.182 492 Y CB -0.440 38.219 38.460 0.332 0.000 0.983 492 Y HN 0.370 nan 8.280 nan 0.000 0.524 493 L N 0.858 122.230 121.223 0.247 0.000 2.081 493 L HA -0.113 4.227 4.340 0.001 0.000 0.212 493 L C 1.041 177.915 176.870 0.007 0.000 1.080 493 L CA 1.634 56.555 54.840 0.135 0.000 0.754 493 L CB -0.744 41.391 42.059 0.128 0.000 0.893 493 L HN 0.361 nan 8.230 nan 0.000 0.433 494 E N -0.962 119.243 120.200 0.009 0.000 3.400 494 E HA 0.167 4.517 4.350 0.001 0.000 0.416 494 E C 0.939 177.516 176.600 -0.039 0.000 0.439 494 E CA 0.159 56.555 56.400 -0.007 0.000 2.569 494 E CB 0.305 30.015 29.700 0.017 0.000 2.190 494 E HN 0.143 nan 8.360 nan 0.000 0.497 495 S N -0.933 114.759 115.700 -0.013 0.000 3.225 495 S HA -0.163 4.307 4.470 0.001 0.000 0.308 495 S C -0.057 174.517 174.600 -0.042 0.000 1.270 495 S CA 0.436 58.628 58.200 -0.014 0.000 1.011 495 S CB -0.974 62.231 63.200 0.007 0.000 1.138 495 S HN 0.236 nan 8.310 nan 0.000 0.661 496 V N 2.040 121.921 119.914 -0.054 0.000 2.370 496 V HA 0.563 4.683 4.120 0.001 0.000 0.279 496 V C 0.597 176.671 176.094 -0.034 0.000 1.280 496 V CA 0.495 62.758 62.300 -0.062 0.000 1.392 496 V CB -0.570 31.202 31.823 -0.086 0.000 1.464 496 V HN 0.828 nan 8.190 nan 0.000 0.525 497 S N 0.000 115.686 115.700 -0.023 0.000 2.498 497 S HA 0.000 4.470 4.470 0.001 0.000 0.327 497 S CA 0.000 58.192 58.200 -0.013 0.000 1.107 497 S CB 0.000 63.191 63.200 -0.014 0.000 0.593 497 S HN 0.000 nan 8.310 nan 0.000 0.517