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 2qpd_1_A DATA FIRST_RESID 6 DATA SEQUENCE SEISRVYEAY PEKKATLYFL VLGFLALIVG SLFGPFQALN YGNVDAYPLL DATA SEQUENCE KRLLPFVQSY YQGLTLHGVL NAIVFTQLFA QAIMVYLPAR ELNMRPNMGL DATA SEQUENCE MWLSWWMAFI GLVVAALPLL ANEATVLYTF YPPLKGHWAF YLGASVFVLS DATA SEQUENCE TWVSIYIVLD LWRRWKAANP GKVTPLVTYM AVVFWLMWFL ASLGLVLEAV DATA SEQUENCE LFLLPWSFGL VEGVDPLVAR TLFWWTGHPI VYFWLLPAYA IIYTILPKQA DATA SEQUENCE GGRLVSDPMA RLAFLLFLLL STPVGFHHQF ADPGIDPTWK MIHSVLTLFV DATA SEQUENCE AVPSLMTAFT VAASLEFAGR LRGGRGLFGW IRALPWDNPA FVAPVLGLLG DATA SEQUENCE FIPGGAGGIV NASFTLDYVV HNTAWVPGHF HLQVASLVTL TAMGSLYWLL DATA SEQUENCE PNLTGKPISD AQRRLGLAVV WLWFLGMMIM AVGLHWAGLL NVPRRAYIAQ DATA SEQUENCE VPDAYPHAAV PMVFNVLAGI VLLVALLLFI YGLFSVLLSR ERKPELAEAP DATA SEQUENCE LPFAEVISGP EDRRLVLAMD RIGFWFAVAA ILVVLAYGPT LVQLFGHLNP DATA SEQUENCE VPGWRLW 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 6 S HA 0.000 nan 4.470 nan 0.000 0.327 6 S C 0.000 174.612 174.600 0.020 0.000 1.055 6 S CA 0.000 58.209 58.200 0.014 0.000 1.107 6 S CB 0.000 63.211 63.200 0.017 0.000 0.593 7 E N 1.123 121.330 120.200 0.012 0.000 2.278 7 E HA 0.386 4.861 4.350 0.209 0.000 0.272 7 E C 0.677 177.264 176.600 -0.022 0.000 0.890 7 E CA -0.449 55.956 56.400 0.007 0.000 0.770 7 E CB 2.088 31.797 29.700 0.013 0.000 1.212 7 E HN 0.348 nan 8.360 nan 0.000 0.415 8 I N 1.281 121.840 120.570 -0.018 0.000 2.454 8 I HA -0.103 4.193 4.170 0.209 0.000 0.254 8 I C 0.761 176.847 176.117 -0.051 0.000 1.156 8 I CA 1.266 62.549 61.300 -0.028 0.000 1.433 8 I CB 0.362 38.351 38.000 -0.018 0.000 1.082 8 I HN 0.258 nan 8.210 nan 0.000 0.432 9 S N 1.406 117.056 115.700 -0.082 0.000 2.448 9 S HA 0.348 4.943 4.470 0.209 0.000 0.320 9 S C 0.745 175.219 174.600 -0.210 0.000 1.071 9 S CA -0.829 57.285 58.200 -0.144 0.000 1.113 9 S CB 0.706 63.799 63.200 -0.179 0.000 0.972 9 S HN 0.387 nan 8.310 nan 0.000 0.465 10 R N 3.548 123.958 120.500 -0.151 0.000 2.340 10 R HA 0.041 4.506 4.340 0.209 0.000 0.215 10 R C 1.320 177.534 176.300 -0.144 0.000 1.017 10 R CA 0.170 56.200 56.100 -0.116 0.000 1.111 10 R CB -0.638 29.626 30.300 -0.062 0.000 1.049 10 R HN 0.558 nan 8.270 nan 0.000 0.490 11 V N 0.195 119.929 119.914 -0.300 0.000 2.244 11 V HA -0.269 3.976 4.120 0.209 0.000 0.235 11 V C 1.095 177.076 176.094 -0.188 0.000 1.026 11 V CA 1.402 63.500 62.300 -0.338 0.000 0.990 11 V CB -0.767 30.588 31.823 -0.779 0.000 0.640 11 V HN 0.251 nan 8.190 nan 0.000 0.463 12 Y N 1.758 122.079 120.300 0.035 0.000 3.438 12 Y HA 0.088 4.759 4.550 0.202 0.000 0.372 12 Y C 1.440 177.370 175.900 0.050 0.000 0.961 12 Y CA 0.168 58.295 58.100 0.045 0.000 2.089 12 Y CB -1.707 36.779 38.460 0.044 0.000 2.350 12 Y HN 0.527 nan 8.280 nan 0.000 0.402 13 E N -0.732 119.545 120.200 0.128 0.000 3.001 13 E HA 0.332 4.807 4.350 0.209 0.000 0.211 13 E C 1.182 177.845 176.600 0.104 0.000 1.026 13 E CA 0.627 57.084 56.400 0.096 0.000 1.614 13 E CB 0.076 29.805 29.700 0.049 0.000 1.672 13 E HN 0.273 nan 8.360 nan 0.000 0.869 14 A N 0.008 122.899 122.820 0.118 0.000 2.635 14 A HA 0.295 4.740 4.320 0.209 0.000 0.279 14 A C -0.609 177.152 177.584 0.294 0.000 1.122 14 A CA -0.065 52.065 52.037 0.156 0.000 0.965 14 A CB 0.540 19.599 19.000 0.099 0.000 1.221 14 A HN 0.229 nan 8.150 nan 0.000 0.566 15 Y N 0.262 120.599 120.300 0.061 0.000 2.681 15 Y HA 0.303 4.891 4.550 0.064 0.000 0.280 15 Y C -2.823 173.143 175.900 0.110 0.000 1.079 15 Y CA -1.645 56.505 58.100 0.082 0.000 1.292 15 Y CB 1.698 40.200 38.460 0.069 0.000 1.126 15 Y HN 0.180 nan 8.280 nan 0.000 0.553 16 P HA 0.109 nan 4.420 nan 0.000 0.278 16 P C 0.650 177.957 177.300 0.011 0.000 1.502 16 P CA 0.176 63.374 63.100 0.164 0.000 1.114 16 P CB 0.376 32.250 31.700 0.290 0.000 1.541 17 E N 1.214 121.330 120.200 -0.141 0.000 2.515 17 E HA -0.131 4.344 4.350 0.209 0.000 0.201 17 E C 0.777 177.220 176.600 -0.263 0.000 1.071 17 E CA 0.652 56.948 56.400 -0.173 0.000 0.880 17 E CB -0.337 29.289 29.700 -0.123 0.000 0.828 17 E HN 0.348 nan 8.360 nan 0.000 0.540 18 K N 1.123 121.369 120.400 -0.256 0.000 2.228 18 K HA -0.001 4.444 4.320 0.209 0.000 0.202 18 K C 2.112 178.537 176.600 -0.291 0.000 1.051 18 K CA 0.349 56.396 56.287 -0.400 0.000 0.960 18 K CB 0.008 32.371 32.500 -0.228 0.000 0.743 18 K HN 0.005 nan 8.250 nan 0.000 0.458 19 K N 1.357 121.662 120.400 -0.159 0.000 2.020 19 K HA -0.196 4.250 4.320 0.209 0.000 0.212 19 K C 2.162 178.507 176.600 -0.424 0.000 1.050 19 K CA 1.747 57.827 56.287 -0.346 0.000 0.929 19 K CB -0.114 32.172 32.500 -0.356 0.000 0.714 19 K HN 0.169 nan 8.250 nan 0.000 0.443 20 A N 0.023 122.427 122.820 -0.692 0.000 1.898 20 A HA -0.062 4.383 4.320 0.209 0.000 0.214 20 A C 2.115 179.204 177.584 -0.824 0.000 1.183 20 A CA 1.749 53.041 52.037 -1.240 0.000 0.622 20 A CB -0.644 17.470 19.000 -1.477 0.000 0.824 20 A HN 0.399 nan 8.150 nan 0.000 0.444 21 T N 0.400 114.597 114.554 -0.595 0.000 2.821 21 T HA -0.112 4.363 4.350 0.209 0.000 0.267 21 T C 1.744 176.268 174.700 -0.293 0.000 1.046 21 T CA 1.305 63.178 62.100 -0.377 0.000 1.139 21 T CB -0.365 68.247 68.868 -0.427 0.000 0.871 21 T HN 0.207 nan 8.240 nan 0.000 0.454 22 L N 0.028 121.009 121.223 -0.402 0.000 2.129 22 L HA -0.092 4.373 4.340 0.209 0.000 0.212 22 L C 1.833 178.519 176.870 -0.306 0.000 1.087 22 L CA 1.587 56.200 54.840 -0.379 0.000 0.757 22 L CB -0.679 41.084 42.059 -0.493 0.000 0.896 22 L HN 0.376 nan 8.230 nan 0.000 0.434 23 Y N -3.519 116.652 120.300 -0.215 0.000 2.239 23 Y HA -0.143 4.532 4.550 0.208 0.000 0.293 23 Y C 2.271 178.480 175.900 0.515 0.000 1.126 23 Y CA 0.291 58.349 58.100 -0.071 0.000 1.128 23 Y CB -0.137 37.880 38.460 -0.738 0.000 1.066 23 Y HN -0.023 nan 8.280 nan 0.000 0.516 24 F N 0.471 120.727 119.950 0.509 0.000 2.135 24 F HA -0.360 4.295 4.527 0.214 0.000 0.300 24 F C 2.250 178.165 175.800 0.193 0.000 1.074 24 F CA 1.287 59.478 58.000 0.318 0.000 1.262 24 F CB -1.084 37.986 39.000 0.117 0.000 1.013 24 F HN 0.122 nan 8.300 nan 0.000 0.489 25 L N -1.222 120.213 121.223 0.355 0.000 2.007 25 L HA -0.178 4.287 4.340 0.209 0.000 0.205 25 L C 2.529 179.652 176.870 0.422 0.000 1.073 25 L CA 1.249 56.266 54.840 0.296 0.000 0.744 25 L CB -0.723 41.461 42.059 0.208 0.000 0.898 25 L HN -0.028 nan 8.230 nan 0.000 0.435 26 V N 0.122 120.253 119.914 0.362 0.000 2.358 26 V HA -0.279 3.966 4.120 0.209 0.000 0.246 26 V C 2.421 178.740 176.094 0.374 0.000 1.047 26 V CA 1.862 64.369 62.300 0.345 0.000 1.035 26 V CB 0.026 31.944 31.823 0.160 0.000 0.658 26 V HN 0.473 nan 8.190 nan 0.000 0.452 27 L N 0.718 122.135 121.223 0.323 0.000 1.976 27 L HA 0.073 4.538 4.340 0.209 0.000 0.209 27 L C 2.401 179.386 176.870 0.193 0.000 1.071 27 L CA 2.718 57.668 54.840 0.183 0.000 0.746 27 L CB -1.423 40.651 42.059 0.026 0.000 0.890 27 L HN 0.319 nan 8.230 nan 0.000 0.432 28 G N -0.267 108.625 108.800 0.154 0.000 2.783 28 G HA2 -0.427 3.658 3.960 0.209 0.000 0.225 28 G HA3 -0.427 3.658 3.960 0.209 0.000 0.225 28 G C 1.449 176.517 174.900 0.279 0.000 1.191 28 G CA 1.748 46.914 45.100 0.110 0.000 0.774 28 G HN 0.490 nan 8.290 nan 0.000 0.632 29 F N 0.677 120.849 119.950 0.371 0.000 2.069 29 F HA -0.051 4.600 4.527 0.206 0.000 0.298 29 F C 2.833 178.820 175.800 0.312 0.000 1.113 29 F CA 1.289 59.526 58.000 0.394 0.000 1.214 29 F CB -0.354 38.828 39.000 0.304 0.000 0.978 29 F HN 0.061 nan 8.300 nan 0.000 0.474 30 L N -0.445 121.052 121.223 0.457 0.000 1.944 30 L HA -0.297 4.168 4.340 0.209 0.000 0.218 30 L C 2.787 179.820 176.870 0.273 0.000 1.075 30 L CA 1.192 56.240 54.840 0.347 0.000 0.767 30 L CB -1.519 40.700 42.059 0.266 0.000 0.890 30 L HN 0.205 nan 8.230 nan 0.000 0.434 31 A N 0.716 123.674 122.820 0.230 0.000 1.861 31 A HA -0.394 4.051 4.320 0.209 0.000 0.248 31 A C 2.238 179.908 177.584 0.145 0.000 2.075 31 A CA 2.891 55.042 52.037 0.190 0.000 0.818 31 A CB -1.465 17.667 19.000 0.221 0.000 0.844 31 A HN 0.473 nan 8.150 nan 0.000 0.498 32 L N -0.097 121.190 121.223 0.107 0.000 2.064 32 L HA -0.232 4.233 4.340 0.209 0.000 0.216 32 L C 2.307 179.202 176.870 0.042 0.000 1.077 32 L CA 2.475 57.241 54.840 -0.124 0.000 0.766 32 L CB -0.304 41.505 42.059 -0.416 0.000 0.890 32 L HN 0.576 nan 8.230 nan 0.000 0.435 33 I N -1.889 118.802 120.570 0.202 0.000 2.193 33 I HA -0.229 4.066 4.170 0.209 0.000 0.240 33 I C 2.363 178.557 176.117 0.128 0.000 1.084 33 I CA 1.283 62.712 61.300 0.216 0.000 1.365 33 I CB -0.783 37.367 38.000 0.250 0.000 1.064 33 I HN 0.134 nan 8.210 nan 0.000 0.410 34 V N 1.841 121.831 119.914 0.127 0.000 2.215 34 V HA -0.299 3.947 4.120 0.209 0.000 0.249 34 V C 2.714 178.881 176.094 0.122 0.000 1.054 34 V CA 2.518 64.879 62.300 0.101 0.000 1.012 34 V CB -1.850 30.064 31.823 0.152 0.000 0.639 34 V HN 0.584 nan 8.190 nan 0.000 0.448 35 G N -0.108 108.830 108.800 0.230 0.000 2.450 35 G HA2 -0.269 3.816 3.960 0.209 0.000 0.220 35 G HA3 -0.269 3.816 3.960 0.209 0.000 0.220 35 G C 1.735 176.918 174.900 0.472 0.000 1.130 35 G CA 1.452 46.793 45.100 0.401 0.000 0.760 35 G HN 0.708 nan 8.290 nan 0.000 0.557 36 S N -0.143 115.705 115.700 0.246 0.000 2.527 36 S HA 0.160 4.755 4.470 0.209 0.000 0.222 36 S C 2.170 176.900 174.600 0.218 0.000 0.985 36 S CA 0.335 58.718 58.200 0.305 0.000 0.921 36 S CB -0.101 63.197 63.200 0.162 0.000 0.772 36 S HN 0.207 nan 8.310 nan 0.000 0.529 37 L N 0.344 121.590 121.223 0.039 0.000 2.089 37 L HA -0.128 4.337 4.340 0.209 0.000 0.213 37 L C 2.083 178.918 176.870 -0.059 0.000 1.079 37 L CA 1.861 56.625 54.840 -0.127 0.000 0.758 37 L CB -0.583 41.270 42.059 -0.343 0.000 0.891 37 L HN 0.374 nan 8.230 nan 0.000 0.433 38 F N -1.472 118.659 119.950 0.302 0.000 2.293 38 F HA 0.107 4.759 4.527 0.208 0.000 0.297 38 F C 2.447 178.353 175.800 0.176 0.000 1.089 38 F CA 0.451 58.654 58.000 0.339 0.000 1.377 38 F CB -1.814 37.264 39.000 0.131 0.000 1.051 38 F HN 0.027 nan 8.300 nan 0.000 0.511 39 G N 2.272 111.204 108.800 0.219 0.000 2.869 39 G HA2 -0.338 3.747 3.960 0.209 0.000 0.240 39 G HA3 -0.338 3.747 3.960 0.209 0.000 0.240 39 G C -0.690 174.185 174.900 -0.041 0.000 1.143 39 G CA 1.705 46.790 45.100 -0.024 0.000 0.749 39 G HN 0.293 nan 8.290 nan 0.000 0.646 40 P HA 0.107 nan 4.420 nan 0.000 0.224 40 P C 1.409 178.514 177.300 -0.324 0.000 1.157 40 P CA 0.561 63.504 63.100 -0.262 0.000 0.799 40 P CB -0.111 31.364 31.700 -0.374 0.000 0.809 41 F N 1.231 121.132 119.950 -0.082 0.000 1.997 41 F HA -0.230 4.422 4.527 0.208 0.000 0.296 41 F C 2.626 178.493 175.800 0.111 0.000 1.160 41 F CA 1.483 59.413 58.000 -0.118 0.000 1.176 41 F CB -2.020 36.696 39.000 -0.472 0.000 0.964 41 F HN -0.135 nan 8.300 nan 0.000 0.484 42 Q N 0.416 120.474 119.800 0.430 0.000 2.340 42 Q HA -0.294 4.171 4.340 0.209 0.000 0.215 42 Q C 2.216 178.371 176.000 0.258 0.000 0.998 42 Q CA 1.725 57.768 55.803 0.399 0.000 0.921 42 Q CB -1.019 27.824 28.738 0.174 0.000 0.926 42 Q HN 0.568 nan 8.270 nan 0.000 0.426 43 A N 0.215 123.098 122.820 0.104 0.000 2.169 43 A HA 0.079 4.525 4.320 0.209 0.000 0.212 43 A C 1.916 179.534 177.584 0.057 0.000 1.153 43 A CA 0.390 52.450 52.037 0.038 0.000 0.756 43 A CB -0.025 18.933 19.000 -0.069 0.000 0.813 43 A HN 0.275 nan 8.150 nan 0.000 0.471 44 L N -1.232 120.032 121.223 0.067 0.000 2.470 44 L HA 0.049 4.514 4.340 0.209 0.000 0.219 44 L C 2.236 179.145 176.870 0.065 0.000 1.071 44 L CA 0.657 55.522 54.840 0.042 0.000 0.850 44 L CB -0.429 41.640 42.059 0.016 0.000 1.040 44 L HN 0.390 nan 8.230 nan 0.000 0.475 45 N N 1.212 119.973 118.700 0.102 0.000 2.036 45 N HA -0.274 4.591 4.740 0.209 0.000 0.195 45 N C 1.763 177.186 175.510 -0.145 0.000 1.037 45 N CA 2.105 55.139 53.050 -0.027 0.000 0.855 45 N CB -0.354 38.007 38.487 -0.209 0.000 1.033 45 N HN 0.262 nan 8.380 nan 0.000 0.423 46 Y N -0.040 120.242 120.300 -0.031 0.000 2.509 46 Y HA 0.162 4.838 4.550 0.209 0.000 0.293 46 Y C 2.440 178.317 175.900 -0.039 0.000 1.133 46 Y CA 0.905 58.978 58.100 -0.044 0.000 1.283 46 Y CB -0.608 37.813 38.460 -0.066 0.000 1.001 46 Y HN 0.193 nan 8.280 nan 0.000 0.555 47 G N -0.339 108.511 108.800 0.083 0.000 2.402 47 G HA2 -0.269 3.816 3.960 0.209 0.000 0.216 47 G HA3 -0.269 3.816 3.960 0.209 0.000 0.216 47 G C 0.543 175.447 174.900 0.008 0.000 1.162 47 G CA 1.024 46.145 45.100 0.035 0.000 0.777 47 G HN 0.544 nan 8.290 nan 0.000 0.539 48 N N -1.719 116.979 118.700 -0.003 0.000 3.613 48 N HA -0.148 4.717 4.740 0.209 0.000 0.252 48 N C -1.186 174.320 175.510 -0.007 0.000 1.139 48 N CA -0.122 52.915 53.050 -0.021 0.000 0.732 48 N CB -1.038 37.434 38.487 -0.024 0.000 1.218 48 N HN 0.174 nan 8.380 nan 0.000 0.574 49 V N 0.281 120.206 119.914 0.019 0.000 2.638 49 V HA 0.326 4.571 4.120 0.209 0.000 0.306 49 V C 0.012 176.165 176.094 0.098 0.000 1.052 49 V CA -0.765 61.556 62.300 0.036 0.000 0.885 49 V CB 1.722 33.558 31.823 0.021 0.000 0.999 49 V HN 0.149 nan 8.190 nan 0.000 0.424 50 D N 3.771 124.234 120.400 0.105 0.000 2.688 50 D HA 0.245 5.010 4.640 0.209 0.000 0.228 50 D C 1.038 177.485 176.300 0.246 0.000 1.116 50 D CA 0.078 54.200 54.000 0.203 0.000 1.023 50 D CB 1.032 41.903 40.800 0.117 0.000 1.100 50 D HN 0.779 nan 8.370 nan 0.000 0.487 51 A N 2.214 125.193 122.820 0.265 0.000 2.281 51 A HA -0.048 4.397 4.320 0.209 0.000 0.231 51 A C 0.749 178.365 177.584 0.054 0.000 1.317 51 A CA 0.096 52.251 52.037 0.197 0.000 0.959 51 A CB -0.411 18.742 19.000 0.255 0.000 0.900 51 A HN 0.464 nan 8.150 nan 0.000 0.497 52 Y N -0.458 119.907 120.300 0.109 0.000 2.436 52 Y HA 0.074 4.749 4.550 0.208 0.000 0.288 52 Y C -0.536 175.353 175.900 -0.017 0.000 1.112 52 Y CA 0.616 58.717 58.100 0.001 0.000 1.220 52 Y CB -0.742 37.714 38.460 -0.006 0.000 1.073 52 Y HN 0.289 nan 8.280 nan 0.000 0.552 53 P HA -0.217 nan 4.420 nan 0.000 0.214 53 P C 2.013 179.328 177.300 0.026 0.000 1.163 53 P CA 1.440 64.587 63.100 0.079 0.000 0.883 53 P CB -0.094 31.653 31.700 0.078 0.000 0.788 54 L N 0.004 121.243 121.223 0.025 0.000 1.989 54 L HA -0.139 4.327 4.340 0.209 0.000 0.211 54 L C 2.017 178.845 176.870 -0.069 0.000 1.071 54 L CA 2.235 57.081 54.840 0.011 0.000 0.749 54 L CB -1.707 40.388 42.059 0.060 0.000 0.890 54 L HN -0.031 nan 8.230 nan 0.000 0.431 55 L N 0.283 121.371 121.223 -0.224 0.000 2.362 55 L HA -0.140 4.326 4.340 0.209 0.000 0.219 55 L C 2.588 179.264 176.870 -0.323 0.000 1.134 55 L CA 1.397 55.913 54.840 -0.541 0.000 0.807 55 L CB -0.616 40.559 42.059 -1.473 0.000 0.927 55 L HN 0.259 nan 8.230 nan 0.000 0.447 56 K N -0.047 120.254 120.400 -0.165 0.000 2.062 56 K HA -0.141 4.304 4.320 0.209 0.000 0.205 56 K C 2.256 178.824 176.600 -0.053 0.000 1.051 56 K CA 0.994 57.227 56.287 -0.089 0.000 0.941 56 K CB -0.090 32.402 32.500 -0.012 0.000 0.719 56 K HN 0.360 nan 8.250 nan 0.000 0.440 57 R N 0.467 120.949 120.500 -0.031 0.000 2.096 57 R HA -0.170 4.295 4.340 0.209 0.000 0.229 57 R C 2.398 178.699 176.300 0.002 0.000 1.134 57 R CA 1.581 57.679 56.100 -0.003 0.000 0.917 57 R CB -0.554 29.750 30.300 0.007 0.000 0.832 57 R HN 0.046 nan 8.270 nan 0.000 0.430 58 L N 0.782 121.997 121.223 -0.013 0.000 2.030 58 L HA -0.204 4.261 4.340 0.209 0.000 0.222 58 L C 0.915 177.809 176.870 0.041 0.000 1.082 58 L CA 1.671 56.514 54.840 0.004 0.000 0.785 58 L CB -0.588 41.459 42.059 -0.019 0.000 0.895 58 L HN 0.193 nan 8.230 nan 0.000 0.439 59 L N 0.360 121.600 121.223 0.029 0.000 2.301 59 L HA 0.204 4.670 4.340 0.209 0.000 0.278 59 L C -1.274 175.658 176.870 0.104 0.000 1.022 59 L CA -1.570 53.371 54.840 0.169 0.000 0.854 59 L CB 1.416 43.609 42.059 0.224 0.000 1.226 59 L HN -0.043 nan 8.230 nan 0.000 0.429 60 P HA -0.273 nan 4.420 nan 0.000 0.213 60 P C 1.592 178.964 177.300 0.121 0.000 1.170 60 P CA 1.490 64.664 63.100 0.122 0.000 0.902 60 P CB -0.157 31.623 31.700 0.134 0.000 0.789 61 F N 0.407 120.377 119.950 0.034 0.000 2.500 61 F HA -0.063 4.589 4.527 0.209 0.000 0.294 61 F C 0.232 176.063 175.800 0.052 0.000 1.101 61 F CA -0.205 57.821 58.000 0.043 0.000 1.484 61 F CB -1.988 37.038 39.000 0.044 0.000 1.110 61 F HN -0.327 nan 8.300 nan 0.000 0.603 62 V N 3.035 122.545 119.914 -0.674 0.000 2.405 62 V HA 0.062 4.307 4.120 0.209 0.000 0.264 62 V C 0.996 176.960 176.094 -0.217 0.000 1.048 62 V CA -0.462 61.475 62.300 -0.604 0.000 0.966 62 V CB 0.803 32.353 31.823 -0.455 0.000 1.015 62 V HN 0.247 nan 8.190 nan 0.000 0.477 63 Q N 2.920 122.634 119.800 -0.144 0.000 1.961 63 Q HA 0.070 4.535 4.340 0.209 0.000 0.197 63 Q C 0.929 176.930 176.000 0.002 0.000 0.977 63 Q CA 1.154 56.943 55.803 -0.023 0.000 0.830 63 Q CB 0.030 28.791 28.738 0.038 0.000 0.896 63 Q HN 0.864 nan 8.270 nan 0.000 0.437 64 S N -0.468 115.220 115.700 -0.020 0.000 2.503 64 S HA 0.250 4.845 4.470 0.209 0.000 0.301 64 S C 0.428 174.919 174.600 -0.181 0.000 1.087 64 S CA -0.732 57.472 58.200 0.006 0.000 1.042 64 S CB 1.345 64.636 63.200 0.151 0.000 1.043 64 S HN 0.297 nan 8.310 nan 0.000 0.489 65 Y N 2.773 122.745 120.300 -0.545 0.000 2.150 65 Y HA -0.420 4.255 4.550 0.209 0.000 0.264 65 Y C 1.435 176.871 175.900 -0.774 0.000 1.278 65 Y CA 2.082 59.486 58.100 -1.160 0.000 1.089 65 Y CB -1.214 36.072 38.460 -1.956 0.000 0.903 65 Y HN 0.827 nan 8.280 nan 0.000 0.513 66 Y N 0.031 119.978 120.300 -0.589 0.000 2.181 66 Y HA -0.262 4.413 4.550 0.208 0.000 0.288 66 Y C 2.986 178.584 175.900 -0.503 0.000 1.146 66 Y CA 1.834 59.589 58.100 -0.575 0.000 1.164 66 Y CB -0.922 37.358 38.460 -0.299 0.000 0.982 66 Y HN 0.257 nan 8.280 nan 0.000 0.515 67 Q N 0.300 119.924 119.800 -0.294 0.000 2.096 67 Q HA -0.186 4.279 4.340 0.209 0.000 0.204 67 Q C 2.495 178.214 176.000 -0.468 0.000 0.982 67 Q CA 1.613 57.220 55.803 -0.327 0.000 0.850 67 Q CB -0.585 28.013 28.738 -0.234 0.000 0.901 67 Q HN 0.598 nan 8.270 nan 0.000 0.422 68 G N 1.388 109.842 108.800 -0.577 0.000 2.545 68 G HA2 -0.318 3.767 3.960 0.209 0.000 0.217 68 G HA3 -0.318 3.767 3.960 0.209 0.000 0.217 68 G C 1.357 175.705 174.900 -0.919 0.000 1.218 68 G CA 0.939 45.398 45.100 -1.069 0.000 0.787 68 G HN 0.408 nan 8.290 nan 0.000 0.571 69 L N 0.841 121.679 121.223 -0.643 0.000 2.189 69 L HA -0.140 4.326 4.340 0.209 0.000 0.214 69 L C 3.118 179.822 176.870 -0.277 0.000 1.097 69 L CA 2.064 56.656 54.840 -0.414 0.000 0.764 69 L CB -0.306 41.414 42.059 -0.564 0.000 0.900 69 L HN 0.339 nan 8.230 nan 0.000 0.436 70 T N -0.603 113.758 114.554 -0.322 0.000 2.732 70 T HA -0.161 4.314 4.350 0.209 0.000 0.261 70 T C 1.834 176.432 174.700 -0.169 0.000 1.040 70 T CA 1.345 63.314 62.100 -0.218 0.000 1.145 70 T CB -0.397 68.317 68.868 -0.255 0.000 0.866 70 T HN 0.216 nan 8.240 nan 0.000 0.427 71 L N 0.542 121.627 121.223 -0.230 0.000 1.944 71 L HA -0.245 4.220 4.340 0.209 0.000 0.218 71 L C 2.632 179.472 176.870 -0.049 0.000 1.075 71 L CA 2.388 57.166 54.840 -0.102 0.000 0.767 71 L CB -0.957 41.038 42.059 -0.107 0.000 0.890 71 L HN 0.387 nan 8.230 nan 0.000 0.434 72 H N -0.295 118.649 119.070 -0.209 0.000 2.304 72 H HA -0.237 4.445 4.556 0.209 0.000 0.287 72 H C 1.944 177.218 175.328 -0.090 0.000 1.112 72 H CA 2.332 58.382 56.048 0.003 0.000 1.200 72 H CB -0.455 29.317 29.762 0.017 0.000 1.349 72 H HN 0.373 nan 8.280 nan 0.000 0.477 73 G N -0.806 107.856 108.800 -0.231 0.000 2.396 73 G HA2 -0.138 3.948 3.960 0.209 0.000 0.214 73 G HA3 -0.138 3.948 3.960 0.209 0.000 0.214 73 G C 1.899 176.611 174.900 -0.313 0.000 1.166 73 G CA 0.770 45.615 45.100 -0.425 0.000 0.793 73 G HN 0.400 nan 8.290 nan 0.000 0.533 74 V N 0.934 120.780 119.914 -0.113 0.000 2.323 74 V HA -0.025 4.221 4.120 0.209 0.000 0.244 74 V C 2.872 178.932 176.094 -0.057 0.000 1.041 74 V CA 0.987 63.287 62.300 -0.001 0.000 1.025 74 V CB -0.332 31.539 31.823 0.081 0.000 0.656 74 V HN 0.302 nan 8.190 nan 0.000 0.451 75 L N 0.079 121.279 121.223 -0.038 0.000 2.089 75 L HA -0.274 4.192 4.340 0.209 0.000 0.213 75 L C 1.981 178.840 176.870 -0.018 0.000 1.079 75 L CA 2.207 57.048 54.840 0.003 0.000 0.758 75 L CB -0.590 41.504 42.059 0.058 0.000 0.891 75 L HN 0.531 nan 8.230 nan 0.000 0.433 76 N N -1.970 116.644 118.700 -0.144 0.000 2.348 76 N HA 0.108 4.973 4.740 0.209 0.000 0.183 76 N C 1.313 176.692 175.510 -0.218 0.000 1.094 76 N CA 0.581 53.501 53.050 -0.216 0.000 0.885 76 N CB 0.637 38.869 38.487 -0.424 0.000 1.065 76 N HN 0.181 nan 8.380 nan 0.000 0.472 77 A N -0.268 122.367 122.820 -0.309 0.000 2.390 77 A HA 0.376 4.821 4.320 0.209 0.000 0.225 77 A C 1.383 178.751 177.584 -0.360 0.000 1.232 77 A CA -0.169 51.520 52.037 -0.580 0.000 0.964 77 A CB 0.441 19.050 19.000 -0.651 0.000 1.064 77 A HN 0.031 nan 8.150 nan 0.000 0.525 78 I N -1.464 119.044 120.570 -0.105 0.000 4.049 78 I HA 0.011 4.306 4.170 0.209 0.000 0.237 78 I C 2.091 178.169 176.117 -0.065 0.000 1.076 78 I CA 0.500 61.781 61.300 -0.032 0.000 1.610 78 I CB -0.146 37.796 38.000 -0.095 0.000 1.544 78 I HN 0.056 nan 8.210 nan 0.000 0.458 79 V N 1.764 121.595 119.914 -0.137 0.000 2.223 79 V HA -0.388 3.857 4.120 0.209 0.000 0.246 79 V C 2.273 178.524 176.094 0.262 0.000 1.045 79 V CA 2.674 65.048 62.300 0.123 0.000 1.004 79 V CB -1.064 30.841 31.823 0.138 0.000 0.641 79 V HN 0.522 nan 8.190 nan 0.000 0.457 80 F N 2.174 122.124 119.950 0.000 0.000 2.154 80 F HA -0.266 4.387 4.527 0.211 0.000 0.301 80 F C 2.505 178.268 175.800 -0.062 0.000 1.087 80 F CA 2.197 60.161 58.000 -0.061 0.000 1.274 80 F CB -0.599 38.306 39.000 -0.157 0.000 1.009 80 F HN 0.352 nan 8.300 nan 0.000 0.485 81 T N -2.497 111.954 114.554 -0.171 0.000 3.023 81 T HA -0.114 4.361 4.350 0.209 0.000 0.266 81 T C 1.833 176.604 174.700 0.117 0.000 1.093 81 T CA 0.987 62.941 62.100 -0.244 0.000 1.129 81 T CB -0.265 68.425 68.868 -0.297 0.000 0.899 81 T HN 0.460 nan 8.240 nan 0.000 0.491 82 Q N 0.348 120.280 119.800 0.219 0.000 2.165 82 Q HA 0.212 4.678 4.340 0.209 0.000 0.197 82 Q C 2.316 178.426 176.000 0.183 0.000 0.952 82 Q CA 0.603 56.667 55.803 0.434 0.000 0.848 82 Q CB -0.113 28.928 28.738 0.504 0.000 0.931 82 Q HN 0.538 nan 8.270 nan 0.000 0.470 83 L N -0.046 121.182 121.223 0.009 0.000 2.093 83 L HA -0.161 4.304 4.340 0.209 0.000 0.208 83 L C 2.289 179.106 176.870 -0.088 0.000 1.085 83 L CA 0.950 55.688 54.840 -0.170 0.000 0.755 83 L CB -0.455 41.511 42.059 -0.154 0.000 0.904 83 L HN 0.179 nan 8.230 nan 0.000 0.435 84 F N 0.513 120.282 119.950 -0.303 0.000 2.126 84 F HA -0.281 4.375 4.527 0.214 0.000 0.299 84 F C 2.339 178.055 175.800 -0.141 0.000 1.096 84 F CA 1.310 59.130 58.000 -0.302 0.000 1.255 84 F CB -0.202 38.461 39.000 -0.562 0.000 0.997 84 F HN 0.031 nan 8.300 nan 0.000 0.479 85 A N -0.137 122.662 122.820 -0.035 0.000 1.832 85 A HA -0.233 4.212 4.320 0.209 0.000 0.214 85 A C 2.090 179.797 177.584 0.205 0.000 1.200 85 A CA 1.578 53.533 52.037 -0.136 0.000 0.610 85 A CB -1.203 17.570 19.000 -0.379 0.000 0.842 85 A HN 0.492 nan 8.150 nan 0.000 0.444 86 Q N -0.893 119.175 119.800 0.447 0.000 2.294 86 Q HA -0.311 4.154 4.340 0.209 0.000 0.215 86 Q C 2.163 178.472 176.000 0.514 0.000 1.000 86 Q CA 1.787 57.849 55.803 0.432 0.000 0.916 86 Q CB -0.375 28.231 28.738 -0.221 0.000 0.932 86 Q HN 0.732 nan 8.270 nan 0.000 0.420 87 A N -0.050 122.929 122.820 0.265 0.000 1.862 87 A HA -0.067 4.378 4.320 0.209 0.000 0.211 87 A C 1.741 179.343 177.584 0.031 0.000 1.220 87 A CA 0.487 52.637 52.037 0.188 0.000 0.616 87 A CB -0.203 18.835 19.000 0.064 0.000 0.878 87 A HN 0.176 nan 8.150 nan 0.000 0.453 88 I N -0.480 119.950 120.570 -0.233 0.000 2.034 88 I HA -0.202 4.093 4.170 0.209 0.000 0.228 88 I C 2.324 178.420 176.117 -0.034 0.000 1.041 88 I CA 1.577 62.740 61.300 -0.229 0.000 1.321 88 I CB -1.591 36.114 38.000 -0.493 0.000 1.062 88 I HN 0.225 nan 8.210 nan 0.000 0.389 89 M N 0.238 119.796 119.600 -0.070 0.000 2.610 89 M HA -0.144 4.461 4.480 0.209 0.000 0.257 89 M C 1.652 178.268 176.300 0.528 0.000 1.070 89 M CA 1.010 56.392 55.300 0.137 0.000 1.047 89 M CB -0.740 31.686 32.600 -0.290 0.000 1.386 89 M HN 0.143 nan 8.290 nan 0.000 0.493 90 V N -2.504 117.645 119.914 0.392 0.000 2.490 90 V HA -0.138 4.108 4.120 0.209 0.000 0.238 90 V C 1.773 177.979 176.094 0.187 0.000 1.056 90 V CA 0.896 63.357 62.300 0.268 0.000 1.075 90 V CB -1.023 30.930 31.823 0.217 0.000 0.746 90 V HN 0.339 nan 8.190 nan 0.000 0.479 91 Y N 0.701 121.017 120.300 0.027 0.000 2.497 91 Y HA -0.001 4.668 4.550 0.199 0.000 0.292 91 Y C 1.857 177.781 175.900 0.039 0.000 1.137 91 Y CA 0.970 59.065 58.100 -0.008 0.000 1.285 91 Y CB -0.225 38.206 38.460 -0.050 0.000 0.991 91 Y HN 0.121 nan 8.280 nan 0.000 0.556 92 L N 0.038 121.236 121.223 -0.041 0.000 2.013 92 L HA -0.037 4.428 4.340 0.209 0.000 0.204 92 L C -0.114 176.768 176.870 0.019 0.000 1.081 92 L CA 0.798 55.591 54.840 -0.078 0.000 0.751 92 L CB -1.871 40.177 42.059 -0.018 0.000 0.901 92 L HN 0.020 nan 8.230 nan 0.000 0.440 93 P HA -0.307 nan 4.420 nan 0.000 0.222 93 P C 1.380 178.700 177.300 0.033 0.000 1.159 93 P CA 2.374 65.501 63.100 0.044 0.000 0.920 93 P CB -0.120 31.635 31.700 0.092 0.000 0.793 94 A N -0.105 122.744 122.820 0.048 0.000 1.862 94 A HA -0.306 4.139 4.320 0.209 0.000 0.214 94 A C 2.226 179.853 177.584 0.071 0.000 1.228 94 A CA 2.569 54.643 52.037 0.062 0.000 0.665 94 A CB -1.435 17.595 19.000 0.050 0.000 0.845 94 A HN 0.011 nan 8.150 nan 0.000 0.459 95 R N -0.245 120.273 120.500 0.029 0.000 2.224 95 R HA -0.297 4.168 4.340 0.209 0.000 0.255 95 R C 2.015 178.395 176.300 0.134 0.000 1.130 95 R CA 2.129 58.271 56.100 0.070 0.000 0.957 95 R CB -1.482 28.747 30.300 -0.118 0.000 0.907 95 R HN 0.892 nan 8.270 nan 0.000 0.446 96 E N 0.673 120.942 120.200 0.115 0.000 2.169 96 E HA -0.199 4.276 4.350 0.209 0.000 0.202 96 E C 1.365 177.949 176.600 -0.027 0.000 1.016 96 E CA 1.621 57.974 56.400 -0.078 0.000 0.817 96 E CB -0.058 29.542 29.700 -0.167 0.000 0.736 96 E HN 0.430 nan 8.360 nan 0.000 0.462 97 L N 0.398 121.652 121.223 0.052 0.000 2.728 97 L HA 0.177 4.642 4.340 0.209 0.000 0.238 97 L C 0.416 177.413 176.870 0.211 0.000 1.143 97 L CA 0.100 55.042 54.840 0.170 0.000 0.937 97 L CB -0.492 41.677 42.059 0.184 0.000 1.225 97 L HN 0.168 nan 8.230 nan 0.000 0.507 98 N N 1.530 120.345 118.700 0.192 0.000 2.700 98 N HA -0.259 4.606 4.740 0.209 0.000 0.265 98 N C -0.604 175.077 175.510 0.285 0.000 0.975 98 N CA 0.857 54.065 53.050 0.263 0.000 0.800 98 N CB -0.498 38.098 38.487 0.182 0.000 0.908 98 N HN 0.414 nan 8.380 nan 0.000 0.551 99 M N 0.092 119.850 119.600 0.265 0.000 2.550 99 M HA 0.311 4.916 4.480 0.209 0.000 0.292 99 M C -0.009 176.390 176.300 0.165 0.000 1.221 99 M CA -0.963 54.470 55.300 0.222 0.000 0.873 99 M CB 2.259 34.977 32.600 0.198 0.000 1.727 99 M HN 0.329 nan 8.290 nan 0.000 0.459 100 R N 3.125 123.704 120.500 0.132 0.000 2.255 100 R HA 0.495 4.960 4.340 0.209 0.000 0.326 100 R C -2.531 173.795 176.300 0.044 0.000 0.986 100 R CA -1.226 54.902 56.100 0.046 0.000 0.847 100 R CB 0.857 31.183 30.300 0.044 0.000 1.111 100 R HN 0.231 nan 8.270 nan 0.000 0.452 101 P HA -0.073 nan 4.420 nan 0.000 0.268 101 P C -0.824 176.493 177.300 0.028 0.000 1.204 101 P CA -0.086 63.026 63.100 0.021 0.000 0.768 101 P CB 0.535 32.231 31.700 -0.007 0.000 0.842 102 N N 3.680 122.412 118.700 0.052 0.000 2.294 102 N HA -0.065 4.801 4.740 0.209 0.000 0.263 102 N C 0.808 176.363 175.510 0.075 0.000 1.281 102 N CA 0.452 53.550 53.050 0.079 0.000 0.846 102 N CB 0.407 38.964 38.487 0.116 0.000 1.061 102 N HN 0.296 nan 8.380 nan 0.000 0.478 103 M N 2.798 122.456 119.600 0.096 0.000 2.516 103 M HA 0.055 4.660 4.480 0.209 0.000 0.259 103 M C 2.024 178.461 176.300 0.229 0.000 1.146 103 M CA 0.247 55.623 55.300 0.127 0.000 1.122 103 M CB -0.655 32.039 32.600 0.157 0.000 1.341 103 M HN 0.670 nan 8.290 nan 0.000 0.478 104 G N 2.120 111.034 108.800 0.191 0.000 2.514 104 G HA2 -0.207 3.878 3.960 0.209 0.000 0.217 104 G HA3 -0.207 3.878 3.960 0.209 0.000 0.217 104 G C 1.545 176.575 174.900 0.217 0.000 1.198 104 G CA 0.796 46.015 45.100 0.198 0.000 0.780 104 G HN 0.385 nan 8.290 nan 0.000 0.565 105 L N -0.380 120.943 121.223 0.167 0.000 2.012 105 L HA -0.109 4.356 4.340 0.209 0.000 0.210 105 L C 2.888 179.860 176.870 0.170 0.000 1.073 105 L CA 1.847 56.781 54.840 0.156 0.000 0.748 105 L CB -0.662 41.482 42.059 0.143 0.000 0.891 105 L HN 0.309 nan 8.230 nan 0.000 0.431 106 M N -0.535 119.121 119.600 0.093 0.000 2.144 106 M HA -0.242 4.363 4.480 0.209 0.000 0.260 106 M C 1.928 178.184 176.300 -0.074 0.000 1.067 106 M CA 2.197 57.452 55.300 -0.075 0.000 1.095 106 M CB -0.305 32.134 32.600 -0.268 0.000 1.365 106 M HN 0.176 nan 8.290 nan 0.000 0.406 107 W N -0.886 120.495 121.300 0.135 0.000 2.523 107 W HA 0.044 4.827 4.660 0.205 0.000 0.278 107 W C 1.946 178.757 176.519 0.486 0.000 1.236 107 W CA 0.016 57.528 57.345 0.278 0.000 1.306 107 W CB -0.235 29.395 29.460 0.284 0.000 1.101 107 W HN 0.207 nan 8.180 nan 0.000 0.577 108 L N 0.242 121.789 121.223 0.541 0.000 1.971 108 L HA -0.293 4.172 4.340 0.209 0.000 0.215 108 L C 2.734 179.842 176.870 0.398 0.000 1.072 108 L CA 2.364 57.450 54.840 0.410 0.000 0.758 108 L CB -1.372 40.837 42.059 0.250 0.000 0.889 108 L HN -0.066 nan 8.230 nan 0.000 0.433 109 S N -1.292 114.610 115.700 0.337 0.000 2.435 109 S HA -0.368 4.227 4.470 0.209 0.000 0.250 109 S C 1.626 176.497 174.600 0.453 0.000 1.065 109 S CA 2.320 60.730 58.200 0.350 0.000 1.243 109 S CB -1.023 62.409 63.200 0.387 0.000 1.158 109 S HN 0.581 nan 8.310 nan 0.000 0.430 110 W N 0.630 122.205 121.300 0.458 0.000 2.247 110 W HA -0.229 4.557 4.660 0.210 0.000 0.330 110 W C 2.028 178.704 176.519 0.262 0.000 1.278 110 W CA 2.341 59.966 57.345 0.466 0.000 1.174 110 W CB -1.278 28.232 29.460 0.083 0.000 1.153 110 W HN 0.522 nan 8.180 nan 0.000 0.464 111 W N -0.136 121.587 121.300 0.704 0.000 2.275 111 W HA -0.394 4.389 4.660 0.206 0.000 0.321 111 W C 2.713 179.333 176.519 0.168 0.000 1.269 111 W CA 1.988 59.613 57.345 0.466 0.000 1.274 111 W CB -1.360 28.351 29.460 0.417 0.000 1.141 111 W HN -0.063 nan 8.180 nan 0.000 0.493 112 M N -0.245 119.554 119.600 0.333 0.000 2.113 112 M HA -0.348 4.257 4.480 0.209 0.000 0.255 112 M C 2.323 178.637 176.300 0.024 0.000 1.073 112 M CA 2.371 57.767 55.300 0.159 0.000 1.091 112 M CB -1.233 31.448 32.600 0.136 0.000 1.309 112 M HN 0.184 nan 8.290 nan 0.000 0.407 113 A N -0.422 122.305 122.820 -0.154 0.000 1.877 113 A HA -0.217 4.228 4.320 0.209 0.000 0.216 113 A C 2.059 179.498 177.584 -0.242 0.000 1.186 113 A CA 1.553 53.300 52.037 -0.483 0.000 0.620 113 A CB -1.100 17.369 19.000 -0.885 0.000 0.822 113 A HN 0.598 nan 8.150 nan 0.000 0.443 114 F N -0.152 119.543 119.950 -0.426 0.000 2.113 114 F HA -0.153 4.499 4.527 0.208 0.000 0.297 114 F C 1.999 177.762 175.800 -0.062 0.000 1.103 114 F CA 1.031 58.825 58.000 -0.343 0.000 1.248 114 F CB -0.087 38.556 39.000 -0.595 0.000 0.999 114 F HN 0.166 nan 8.300 nan 0.000 0.475 115 I N 1.535 122.084 120.570 -0.036 0.000 2.093 115 I HA -0.362 3.934 4.170 0.209 0.000 0.239 115 I C 2.865 178.996 176.117 0.022 0.000 1.026 115 I CA 2.089 63.362 61.300 -0.045 0.000 1.295 115 I CB -1.517 36.515 38.000 0.053 0.000 1.007 115 I HN 0.275 nan 8.210 nan 0.000 0.401 116 G N -0.189 108.660 108.800 0.081 0.000 2.476 116 G HA2 -0.267 3.818 3.960 0.209 0.000 0.218 116 G HA3 -0.267 3.818 3.960 0.209 0.000 0.218 116 G C 1.657 176.677 174.900 0.200 0.000 1.164 116 G CA 1.146 46.332 45.100 0.144 0.000 0.768 116 G HN 0.357 nan 8.290 nan 0.000 0.560 117 L N 0.794 122.197 121.223 0.300 0.000 1.944 117 L HA -0.110 4.355 4.340 0.209 0.000 0.218 117 L C 2.998 179.975 176.870 0.178 0.000 1.075 117 L CA 2.081 57.117 54.840 0.327 0.000 0.767 117 L CB -0.886 41.385 42.059 0.353 0.000 0.890 117 L HN 0.103 nan 8.230 nan 0.000 0.434 118 V N -1.165 118.840 119.914 0.153 0.000 2.343 118 V HA -0.252 3.993 4.120 0.209 0.000 0.247 118 V C 2.571 178.672 176.094 0.013 0.000 1.051 118 V CA 1.467 63.809 62.300 0.069 0.000 1.036 118 V CB -0.674 31.160 31.823 0.019 0.000 0.654 118 V HN 0.400 nan 8.190 nan 0.000 0.451 119 V N 0.348 120.265 119.914 0.005 0.000 2.317 119 V HA -0.349 3.897 4.120 0.209 0.000 0.251 119 V C 2.647 178.729 176.094 -0.019 0.000 1.065 119 V CA 2.333 64.637 62.300 0.005 0.000 1.049 119 V CB -1.094 30.756 31.823 0.045 0.000 0.651 119 V HN 0.590 nan 8.190 nan 0.000 0.450 120 A N -0.171 122.643 122.820 -0.009 0.000 1.824 120 A HA -0.095 4.350 4.320 0.209 0.000 0.215 120 A C 2.501 180.081 177.584 -0.006 0.000 1.209 120 A CA 2.205 54.215 52.037 -0.046 0.000 0.614 120 A CB -1.349 17.596 19.000 -0.092 0.000 0.852 120 A HN 0.670 nan 8.150 nan 0.000 0.447 121 A N -0.192 122.645 122.820 0.028 0.000 2.001 121 A HA -0.257 4.188 4.320 0.209 0.000 0.224 121 A C 2.135 179.724 177.584 0.009 0.000 1.203 121 A CA 2.215 54.279 52.037 0.046 0.000 0.667 121 A CB -1.096 17.948 19.000 0.073 0.000 0.823 121 A HN 0.647 nan 8.150 nan 0.000 0.473 122 L N -1.599 119.600 121.223 -0.040 0.000 2.072 122 L HA -0.052 4.413 4.340 0.209 0.000 0.205 122 L C -0.358 176.428 176.870 -0.141 0.000 1.079 122 L CA 0.998 55.791 54.840 -0.080 0.000 0.752 122 L CB -2.030 39.971 42.059 -0.097 0.000 0.906 122 L HN 0.134 nan 8.230 nan 0.000 0.436 123 P HA -0.246 nan 4.420 nan 0.000 0.219 123 P C 2.038 179.257 177.300 -0.136 0.000 1.158 123 P CA 1.728 64.633 63.100 -0.324 0.000 0.895 123 P CB -0.008 31.538 31.700 -0.257 0.000 0.792 124 L N -2.247 118.938 121.223 -0.063 0.000 2.072 124 L HA -0.128 4.337 4.340 0.209 0.000 0.205 124 L C 2.222 179.119 176.870 0.044 0.000 1.079 124 L CA 1.340 56.159 54.840 -0.035 0.000 0.752 124 L CB -0.914 41.153 42.059 0.014 0.000 0.906 124 L HN -0.008 nan 8.230 nan 0.000 0.436 125 L N -0.794 120.497 121.223 0.113 0.000 2.313 125 L HA 0.041 4.506 4.340 0.209 0.000 0.214 125 L C 2.608 179.646 176.870 0.280 0.000 1.119 125 L CA 0.996 56.021 54.840 0.308 0.000 0.809 125 L CB -0.958 41.199 42.059 0.162 0.000 0.933 125 L HN 0.061 nan 8.230 nan 0.000 0.449 126 A N 0.596 123.485 122.820 0.115 0.000 2.066 126 A HA -0.110 4.335 4.320 0.209 0.000 0.218 126 A C 1.278 178.921 177.584 0.097 0.000 1.157 126 A CA 0.942 53.034 52.037 0.092 0.000 0.670 126 A CB -0.597 18.416 19.000 0.022 0.000 0.804 126 A HN 0.667 nan 8.150 nan 0.000 0.453 127 N N -1.272 117.470 118.700 0.070 0.000 2.920 127 N HA -0.125 4.741 4.740 0.209 0.000 0.247 127 N C -0.349 175.282 175.510 0.201 0.000 1.123 127 N CA 1.010 54.100 53.050 0.067 0.000 0.711 127 N CB -1.645 36.904 38.487 0.103 0.000 1.065 127 N HN 0.441 nan 8.380 nan 0.000 0.554 128 E N -0.353 119.911 120.200 0.106 0.000 2.569 128 E HA 0.485 4.960 4.350 0.209 0.000 0.205 128 E C 0.303 176.987 176.600 0.140 0.000 1.006 128 E CA 0.563 57.092 56.400 0.214 0.000 0.985 128 E CB 0.507 30.267 29.700 0.099 0.000 1.060 128 E HN 0.544 nan 8.360 nan 0.000 0.460 129 A N 0.200 122.912 122.820 -0.179 0.000 2.556 129 A HA 0.057 4.502 4.320 0.209 0.000 0.208 129 A C 0.504 177.504 177.584 -0.973 0.000 1.156 129 A CA -0.399 51.290 52.037 -0.581 0.000 1.290 129 A CB -0.446 18.074 19.000 -0.800 0.000 1.169 129 A HN -0.029 nan 8.150 nan 0.000 0.468 130 T N 2.179 115.973 114.554 -1.268 0.000 4.597 130 T HA 0.207 4.682 4.350 0.209 0.000 0.214 130 T C 1.178 175.192 174.700 -1.144 0.000 0.868 130 T CA 1.255 62.623 62.100 -1.219 0.000 1.157 130 T CB -0.976 67.133 68.868 -1.265 0.000 1.378 130 T HN 1.081 nan 8.240 nan 0.000 1.011 131 V N -1.056 118.413 119.914 -0.740 0.000 3.380 131 V HA 0.432 4.678 4.120 0.209 0.000 0.307 131 V C 0.350 176.342 176.094 -0.170 0.000 1.434 131 V CA -0.811 61.280 62.300 -0.349 0.000 1.075 131 V CB -0.783 30.949 31.823 -0.151 0.000 0.954 131 V HN 0.613 nan 8.190 nan 0.000 0.444 132 L N -0.411 120.693 121.223 -0.197 0.000 0.586 132 L HA -0.246 4.219 4.340 0.209 0.000 0.356 132 L C 1.361 178.245 176.870 0.024 0.000 1.004 132 L CA 0.598 55.401 54.840 -0.062 0.000 1.223 132 L CB -0.894 41.158 42.059 -0.012 0.000 0.012 132 L HN 0.660 nan 8.230 nan 0.000 0.092 133 Y N 0.444 120.650 120.300 -0.157 0.000 2.365 133 Y HA -0.170 4.505 4.550 0.208 0.000 0.287 133 Y C 2.098 177.698 175.900 -0.500 0.000 1.162 133 Y CA 1.787 59.803 58.100 -0.140 0.000 1.260 133 Y CB -1.536 36.859 38.460 -0.107 0.000 0.976 133 Y HN 0.664 nan 8.280 nan 0.000 0.548 134 T N -1.375 112.612 114.554 -0.945 0.000 3.055 134 T HA -0.064 4.411 4.350 0.209 0.000 0.265 134 T C 0.690 174.041 174.700 -2.247 0.000 1.111 134 T CA 0.282 61.175 62.100 -2.012 0.000 1.118 134 T CB -1.448 66.152 68.868 -2.114 0.000 0.909 134 T HN 0.611 nan 8.240 nan 0.000 0.501 135 F N -0.157 119.579 119.950 -0.356 0.000 2.861 135 F HA -0.236 4.416 4.527 0.208 0.000 0.230 135 F C -0.445 175.343 175.800 -0.021 0.000 1.020 135 F CA -1.521 56.464 58.000 -0.026 0.000 0.852 135 F CB -3.099 36.120 39.000 0.365 0.000 0.724 135 F HN 0.289 nan 8.300 nan 0.000 0.843 136 Y N 1.136 121.456 120.300 0.033 0.000 2.853 136 Y HA 0.162 4.838 4.550 0.209 0.000 0.365 136 Y C -1.529 174.480 175.900 0.181 0.000 1.310 136 Y CA -1.688 56.437 58.100 0.041 0.000 1.703 136 Y CB -0.194 38.261 38.460 -0.009 0.000 1.238 136 Y HN 0.086 nan 8.280 nan 0.000 0.510 137 P HA -0.005 nan 4.420 nan 0.000 0.271 137 P C -2.030 175.323 177.300 0.088 0.000 1.220 137 P CA -1.313 61.864 63.100 0.127 0.000 0.768 137 P CB 0.596 32.174 31.700 -0.204 0.000 0.848 138 P HA 0.119 nan 4.420 nan 0.000 0.256 138 P C -0.466 177.192 177.300 0.597 0.000 1.384 138 P CA 0.073 63.333 63.100 0.266 0.000 0.879 138 P CB 0.203 32.092 31.700 0.315 0.000 1.403 139 L N 0.487 122.034 121.223 0.539 0.000 2.360 139 L HA 0.228 4.693 4.340 0.209 0.000 0.276 139 L C 1.049 178.353 176.870 0.723 0.000 1.121 139 L CA 0.359 55.559 54.840 0.602 0.000 0.845 139 L CB 0.383 42.727 42.059 0.474 0.000 1.143 139 L HN -0.167 nan 8.230 nan 0.000 0.452 140 K N 2.777 123.561 120.400 0.640 0.000 2.347 140 K HA 0.457 4.902 4.320 0.209 0.000 0.262 140 K C 0.083 176.908 176.600 0.374 0.000 1.052 140 K CA -0.379 56.116 56.287 0.347 0.000 0.946 140 K CB 0.776 33.192 32.500 -0.140 0.000 1.220 140 K HN 0.777 nan 8.250 nan 0.000 0.450 141 G N 1.928 110.947 108.800 0.365 0.000 2.537 141 G HA2 0.019 4.104 3.960 0.209 0.000 0.273 141 G HA3 0.019 4.104 3.960 0.209 0.000 0.273 141 G C -0.355 174.642 174.900 0.160 0.000 1.189 141 G CA -0.404 44.753 45.100 0.096 0.000 0.881 141 G HN 0.719 nan 8.290 nan 0.000 0.535 142 H N 0.321 119.376 119.070 -0.024 0.000 3.095 142 H HA -0.123 4.558 4.556 0.209 0.000 0.351 142 H C 1.475 176.862 175.328 0.098 0.000 1.123 142 H CA 1.075 57.101 56.048 -0.037 0.000 1.368 142 H CB 0.434 30.090 29.762 -0.176 0.000 1.293 142 H HN 0.750 nan 8.280 nan 0.000 0.606 143 W N 2.419 123.663 121.300 -0.094 0.000 2.388 143 W HA -0.026 4.758 4.660 0.208 0.000 0.294 143 W C 1.532 178.184 176.519 0.221 0.000 1.212 143 W CA 0.711 58.108 57.345 0.085 0.000 1.271 143 W CB -1.005 28.484 29.460 0.049 0.000 1.126 143 W HN 0.566 nan 8.180 nan 0.000 0.535 144 A N 0.399 123.335 122.820 0.192 0.000 2.209 144 A HA -0.037 4.408 4.320 0.209 0.000 0.212 144 A C 1.735 179.329 177.584 0.017 0.000 1.158 144 A CA 1.011 53.056 52.037 0.014 0.000 0.742 144 A CB -1.132 17.628 19.000 -0.399 0.000 0.790 144 A HN 0.399 nan 8.150 nan 0.000 0.472 145 F N -1.075 118.798 119.950 -0.128 0.000 2.220 145 F HA 0.032 4.685 4.527 0.210 0.000 0.290 145 F C 1.883 177.506 175.800 -0.295 0.000 1.080 145 F CA 1.080 58.918 58.000 -0.270 0.000 1.318 145 F CB -0.173 38.578 39.000 -0.415 0.000 1.063 145 F HN 0.245 nan 8.300 nan 0.000 0.498 146 Y N -0.103 120.085 120.300 -0.187 0.000 2.220 146 Y HA -0.115 4.560 4.550 0.208 0.000 0.291 146 Y C 2.239 177.956 175.900 -0.304 0.000 1.129 146 Y CA 1.036 58.907 58.100 -0.381 0.000 1.161 146 Y CB -0.847 37.497 38.460 -0.193 0.000 0.997 146 Y HN 0.196 nan 8.280 nan 0.000 0.522 147 L N 0.640 121.855 121.223 -0.014 0.000 1.970 147 L HA -0.118 4.347 4.340 0.209 0.000 0.212 147 L C 2.424 179.278 176.870 -0.025 0.000 1.071 147 L CA 2.364 57.197 54.840 -0.011 0.000 0.751 147 L CB -1.334 40.808 42.059 0.138 0.000 0.889 147 L HN 0.225 nan 8.230 nan 0.000 0.432 148 G N -1.147 107.627 108.800 -0.043 0.000 2.503 148 G HA2 -0.308 3.778 3.960 0.209 0.000 0.221 148 G HA3 -0.308 3.778 3.960 0.209 0.000 0.221 148 G C 1.471 176.340 174.900 -0.051 0.000 1.131 148 G CA 1.017 46.094 45.100 -0.038 0.000 0.756 148 G HN 0.726 nan 8.290 nan 0.000 0.572 149 A N -0.123 122.568 122.820 -0.215 0.000 2.132 149 A HA 0.354 4.799 4.320 0.209 0.000 0.213 149 A C 2.553 180.055 177.584 -0.138 0.000 1.154 149 A CA 1.543 53.436 52.037 -0.239 0.000 0.753 149 A CB -0.047 18.658 19.000 -0.492 0.000 0.826 149 A HN 0.261 nan 8.150 nan 0.000 0.469 150 S N -0.246 115.374 115.700 -0.133 0.000 2.406 150 S HA -0.064 4.531 4.470 0.209 0.000 0.228 150 S C 1.822 176.390 174.600 -0.054 0.000 1.020 150 S CA 1.176 59.305 58.200 -0.118 0.000 0.965 150 S CB -0.325 62.795 63.200 -0.132 0.000 0.798 150 S HN 0.372 nan 8.310 nan 0.000 0.488 151 V N 1.951 121.869 119.914 0.007 0.000 2.259 151 V HA -0.172 4.073 4.120 0.209 0.000 0.229 151 V C 1.627 177.787 176.094 0.110 0.000 1.012 151 V CA 1.982 64.315 62.300 0.055 0.000 0.995 151 V CB -1.190 30.679 31.823 0.077 0.000 0.645 151 V HN 0.470 nan 8.190 nan 0.000 0.468 152 F N 0.185 120.117 119.950 -0.030 0.000 2.198 152 F HA -0.427 4.227 4.527 0.211 0.000 0.263 152 F C 2.164 177.953 175.800 -0.018 0.000 1.113 152 F CA 2.967 60.945 58.000 -0.037 0.000 1.493 152 F CB -0.790 38.172 39.000 -0.064 0.000 0.848 152 F HN -0.010 nan 8.300 nan 0.000 0.488 153 V N 0.545 120.708 119.914 0.415 0.000 2.270 153 V HA -0.307 3.939 4.120 0.209 0.000 0.245 153 V C 2.293 178.489 176.094 0.170 0.000 1.043 153 V CA 2.073 64.558 62.300 0.308 0.000 1.014 153 V CB -0.683 31.217 31.823 0.129 0.000 0.645 153 V HN 0.487 nan 8.190 nan 0.000 0.447 154 L N 0.865 122.094 121.223 0.011 0.000 2.085 154 L HA -0.296 4.169 4.340 0.209 0.000 0.218 154 L C 2.628 179.615 176.870 0.195 0.000 1.080 154 L CA 2.127 56.950 54.840 -0.028 0.000 0.776 154 L CB -0.804 41.200 42.059 -0.091 0.000 0.891 154 L HN 0.548 nan 8.230 nan 0.000 0.437 155 S N -1.035 114.747 115.700 0.137 0.000 2.520 155 S HA -0.176 4.419 4.470 0.209 0.000 0.249 155 S C 1.707 176.396 174.600 0.148 0.000 0.983 155 S CA 1.637 59.905 58.200 0.113 0.000 0.958 155 S CB -0.533 62.656 63.200 -0.018 0.000 0.750 155 S HN 0.660 nan 8.310 nan 0.000 0.527 156 T N -4.393 110.332 114.554 0.284 0.000 3.037 156 T HA 0.114 4.589 4.350 0.209 0.000 0.252 156 T C 1.252 176.234 174.700 0.470 0.000 1.073 156 T CA 0.011 62.342 62.100 0.386 0.000 1.091 156 T CB -0.570 68.717 68.868 0.698 0.000 0.935 156 T HN 0.428 nan 8.240 nan 0.000 0.488 157 W N 2.127 123.566 121.300 0.232 0.000 2.325 157 W HA -0.093 4.693 4.660 0.209 0.000 0.299 157 W C 2.283 178.854 176.519 0.087 0.000 1.215 157 W CA 0.266 57.715 57.345 0.174 0.000 1.244 157 W CB -1.009 28.528 29.460 0.129 0.000 1.140 157 W HN 0.080 nan 8.180 nan 0.000 0.523 158 V N -0.503 119.563 119.914 0.254 0.000 2.214 158 V HA -0.348 3.897 4.120 0.209 0.000 0.245 158 V C 2.253 178.378 176.094 0.052 0.000 1.047 158 V CA 2.381 64.749 62.300 0.113 0.000 0.998 158 V CB -1.539 30.365 31.823 0.134 0.000 0.633 158 V HN 0.032 nan 8.190 nan 0.000 0.446 159 S N -0.514 115.179 115.700 -0.012 0.000 2.493 159 S HA -0.090 4.505 4.470 0.209 0.000 0.243 159 S C 1.707 175.921 174.600 -0.643 0.000 0.991 159 S CA 1.072 59.101 58.200 -0.285 0.000 0.957 159 S CB -0.522 62.477 63.200 -0.335 0.000 0.756 159 S HN 0.472 nan 8.310 nan 0.000 0.521 160 I N -0.429 119.963 120.570 -0.297 0.000 2.567 160 I HA -0.198 4.097 4.170 0.209 0.000 0.257 160 I C 2.012 178.076 176.117 -0.088 0.000 1.184 160 I CA 1.389 62.597 61.300 -0.154 0.000 1.451 160 I CB -0.167 37.843 38.000 0.017 0.000 1.089 160 I HN 0.421 nan 8.210 nan 0.000 0.441 161 Y N 0.326 120.505 120.300 -0.201 0.000 2.664 161 Y HA 0.201 4.878 4.550 0.211 0.000 0.278 161 Y C 2.164 178.013 175.900 -0.085 0.000 1.130 161 Y CA 0.175 58.204 58.100 -0.118 0.000 1.260 161 Y CB -0.004 38.395 38.460 -0.101 0.000 1.369 161 Y HN -0.146 nan 8.280 nan 0.000 0.499 162 I N 0.089 120.777 120.570 0.196 0.000 2.181 162 I HA -0.363 3.932 4.170 0.209 0.000 0.247 162 I C 1.971 178.058 176.117 -0.049 0.000 1.081 162 I CA 2.003 63.346 61.300 0.071 0.000 1.340 162 I CB -0.624 37.397 38.000 0.035 0.000 1.036 162 I HN 0.187 nan 8.210 nan 0.000 0.417 163 V N 0.338 120.186 119.914 -0.110 0.000 2.591 163 V HA -0.170 4.075 4.120 0.209 0.000 0.249 163 V C 2.222 178.323 176.094 0.012 0.000 1.053 163 V CA 1.034 63.310 62.300 -0.040 0.000 1.068 163 V CB -0.070 31.720 31.823 -0.055 0.000 0.689 163 V HN 0.373 nan 8.190 nan 0.000 0.462 164 L N 0.044 121.235 121.223 -0.053 0.000 2.313 164 L HA -0.103 4.362 4.340 0.209 0.000 0.214 164 L C 2.163 178.965 176.870 -0.112 0.000 1.119 164 L CA 1.262 56.100 54.840 -0.003 0.000 0.809 164 L CB -0.182 41.860 42.059 -0.027 0.000 0.933 164 L HN 0.435 nan 8.230 nan 0.000 0.449 165 D N 0.269 120.478 120.400 -0.318 0.000 2.088 165 D HA -0.247 4.518 4.640 0.209 0.000 0.191 165 D C 2.080 178.342 176.300 -0.064 0.000 0.992 165 D CA 1.665 55.477 54.000 -0.315 0.000 0.831 165 D CB -0.068 40.533 40.800 -0.331 0.000 0.973 165 D HN 0.112 nan 8.370 nan 0.000 0.447 166 L N -0.397 120.835 121.223 0.015 0.000 2.189 166 L HA -0.098 4.367 4.340 0.209 0.000 0.214 166 L C 2.012 179.020 176.870 0.230 0.000 1.097 166 L CA 1.039 55.948 54.840 0.114 0.000 0.764 166 L CB -0.545 41.576 42.059 0.104 0.000 0.900 166 L HN 0.324 nan 8.230 nan 0.000 0.436 167 W N 0.387 121.695 121.300 0.014 0.000 2.348 167 W HA -0.158 4.622 4.660 0.200 0.000 0.324 167 W C 2.824 179.403 176.519 0.101 0.000 1.209 167 W CA 1.268 58.642 57.345 0.049 0.000 1.275 167 W CB -0.634 28.837 29.460 0.019 0.000 1.175 167 W HN -0.027 nan 8.180 nan 0.000 0.461 168 R N 0.176 120.651 120.500 -0.041 0.000 2.265 168 R HA -0.307 4.158 4.340 0.209 0.000 0.256 168 R C 2.195 178.431 176.300 -0.108 0.000 1.120 168 R CA 2.833 58.831 56.100 -0.170 0.000 0.956 168 R CB -0.754 29.471 30.300 -0.125 0.000 0.925 168 R HN 0.310 nan 8.270 nan 0.000 0.448 169 R N -1.912 118.590 120.500 0.004 0.000 2.048 169 R HA -0.099 4.366 4.340 0.209 0.000 0.221 169 R C 2.129 178.481 176.300 0.086 0.000 1.174 169 R CA 1.247 57.366 56.100 0.032 0.000 0.971 169 R CB -0.659 29.675 30.300 0.057 0.000 0.863 169 R HN 0.352 nan 8.270 nan 0.000 0.439 170 W N 2.571 123.864 121.300 -0.013 0.000 2.302 170 W HA -0.309 4.459 4.660 0.180 0.000 0.320 170 W C 2.138 178.638 176.519 -0.031 0.000 1.241 170 W CA 1.798 59.150 57.345 0.011 0.000 1.264 170 W CB -0.004 29.503 29.460 0.079 0.000 1.154 170 W HN -0.098 nan 8.180 nan 0.000 0.483 171 K N 0.707 121.378 120.400 0.452 0.000 2.097 171 K HA -0.100 4.345 4.320 0.209 0.000 0.206 171 K C 2.031 178.577 176.600 -0.090 0.000 1.049 171 K CA 2.015 58.474 56.287 0.286 0.000 0.933 171 K CB -1.008 31.389 32.500 -0.171 0.000 0.717 171 K HN 0.183 nan 8.250 nan 0.000 0.442 172 A N 0.017 122.762 122.820 -0.125 0.000 1.897 172 A HA 0.084 4.529 4.320 0.209 0.000 0.215 172 A C 2.070 179.556 177.584 -0.163 0.000 1.181 172 A CA 1.675 53.628 52.037 -0.140 0.000 0.620 172 A CB -0.623 18.308 19.000 -0.116 0.000 0.821 172 A HN 0.335 nan 8.150 nan 0.000 0.443 173 A N -1.260 121.444 122.820 -0.194 0.000 2.337 173 A HA 0.227 4.672 4.320 0.209 0.000 0.227 173 A C 0.845 178.220 177.584 -0.348 0.000 1.259 173 A CA -0.040 51.868 52.037 -0.215 0.000 0.870 173 A CB -0.189 18.718 19.000 -0.156 0.000 0.927 173 A HN 0.401 nan 8.150 nan 0.000 0.497 174 N N 0.899 119.280 118.700 -0.531 0.000 2.497 174 N HA 0.170 5.035 4.740 0.209 0.000 0.284 174 N C -3.095 172.140 175.510 -0.458 0.000 1.459 174 N CA -0.666 51.965 53.050 -0.699 0.000 0.899 174 N CB 1.290 38.826 38.487 -1.586 0.000 1.316 174 N HN 0.293 nan 8.380 nan 0.000 0.500 175 P HA 0.219 nan 4.420 nan 0.000 0.286 175 P C 0.594 177.854 177.300 -0.068 0.000 1.269 175 P CA 0.481 63.497 63.100 -0.139 0.000 0.787 175 P CB 1.057 32.686 31.700 -0.119 0.000 0.920 176 G N 1.922 110.716 108.800 -0.009 0.000 2.182 176 G HA2 -0.217 3.869 3.960 0.209 0.000 0.248 176 G HA3 -0.217 3.869 3.960 0.209 0.000 0.248 176 G C -0.126 174.801 174.900 0.045 0.000 1.042 176 G CA -0.170 44.943 45.100 0.021 0.000 0.775 176 G HN 0.652 nan 8.290 nan 0.000 0.501 177 K N -0.318 120.139 120.400 0.095 0.000 2.427 177 K HA 0.551 4.996 4.320 0.209 0.000 0.252 177 K C 0.101 176.961 176.600 0.434 0.000 0.931 177 K CA -0.869 55.533 56.287 0.192 0.000 0.793 177 K CB 2.609 35.167 32.500 0.096 0.000 1.211 177 K HN 0.037 nan 8.250 nan 0.000 0.426 178 V N 2.953 123.059 119.914 0.320 0.000 2.455 178 V HA 0.059 4.304 4.120 0.209 0.000 0.273 178 V C 0.143 176.310 176.094 0.122 0.000 1.045 178 V CA -0.446 61.978 62.300 0.208 0.000 0.976 178 V CB 0.849 32.713 31.823 0.069 0.000 0.993 178 V HN 0.782 nan 8.190 nan 0.000 0.475 179 T N 8.127 122.680 114.554 -0.002 0.000 2.792 179 T HA 0.114 4.589 4.350 0.209 0.000 0.286 179 T C -2.213 172.329 174.700 -0.264 0.000 0.970 179 T CA -0.496 61.393 62.100 -0.352 0.000 1.187 179 T CB 0.047 68.810 68.868 -0.174 0.000 0.915 179 T HN 0.499 nan 8.240 nan 0.000 0.529 180 P HA 0.132 nan 4.420 nan 0.000 0.272 180 P C 1.206 178.388 177.300 -0.197 0.000 1.223 180 P CA -0.690 62.284 63.100 -0.210 0.000 0.784 180 P CB 0.465 32.042 31.700 -0.205 0.000 0.923 181 L N 3.969 125.101 121.223 -0.152 0.000 2.107 181 L HA -0.298 4.167 4.340 0.209 0.000 0.240 181 L C 2.197 178.986 176.870 -0.135 0.000 1.115 181 L CA 2.233 57.005 54.840 -0.114 0.000 0.840 181 L CB -1.539 40.436 42.059 -0.140 0.000 0.935 181 L HN 0.203 nan 8.230 nan 0.000 0.449 182 V N -1.252 118.570 119.914 -0.153 0.000 3.026 182 V HA -0.218 4.027 4.120 0.209 0.000 0.265 182 V C 1.965 177.986 176.094 -0.121 0.000 1.121 182 V CA 1.914 64.144 62.300 -0.117 0.000 1.142 182 V CB -0.875 30.971 31.823 0.039 0.000 0.730 182 V HN 0.661 nan 8.190 nan 0.000 0.503 183 T N -1.985 112.473 114.554 -0.161 0.000 3.014 183 T HA 0.014 4.489 4.350 0.209 0.000 0.250 183 T C 1.537 176.097 174.700 -0.233 0.000 1.060 183 T CA 0.242 62.241 62.100 -0.168 0.000 1.040 183 T CB -0.143 68.600 68.868 -0.208 0.000 0.971 183 T HN 0.534 nan 8.240 nan 0.000 0.497 184 Y N 1.456 121.565 120.300 -0.318 0.000 2.516 184 Y HA 0.285 4.959 4.550 0.206 0.000 0.291 184 Y C 1.887 177.643 175.900 -0.239 0.000 1.131 184 Y CA 0.420 58.320 58.100 -0.333 0.000 1.281 184 Y CB -0.349 37.946 38.460 -0.275 0.000 1.013 184 Y HN 0.073 nan 8.280 nan 0.000 0.554 185 M N -0.605 118.739 119.600 -0.428 0.000 2.191 185 M HA 0.004 4.609 4.480 0.209 0.000 0.262 185 M C 2.541 178.743 176.300 -0.163 0.000 1.083 185 M CA 1.220 56.243 55.300 -0.462 0.000 1.154 185 M CB -0.523 31.720 32.600 -0.594 0.000 1.344 185 M HN 0.328 nan 8.290 nan 0.000 0.431 186 A N 0.063 122.818 122.820 -0.110 0.000 1.958 186 A HA -0.162 4.283 4.320 0.209 0.000 0.221 186 A C 2.191 179.877 177.584 0.170 0.000 1.178 186 A CA 2.029 54.095 52.037 0.048 0.000 0.642 186 A CB -1.073 18.044 19.000 0.195 0.000 0.816 186 A HN 0.337 nan 8.150 nan 0.000 0.453 187 V N -0.154 119.744 119.914 -0.027 0.000 2.407 187 V HA -0.177 4.068 4.120 0.209 0.000 0.245 187 V C 2.681 178.761 176.094 -0.023 0.000 1.041 187 V CA 1.700 63.966 62.300 -0.057 0.000 1.040 187 V CB -0.417 31.138 31.823 -0.447 0.000 0.671 187 V HN 0.550 nan 8.190 nan 0.000 0.455 188 V N -1.525 118.310 119.914 -0.131 0.000 2.343 188 V HA -0.248 3.998 4.120 0.209 0.000 0.247 188 V C 2.143 178.341 176.094 0.173 0.000 1.051 188 V CA 1.948 64.256 62.300 0.014 0.000 1.036 188 V CB -1.254 30.526 31.823 -0.073 0.000 0.654 188 V HN 0.422 nan 8.190 nan 0.000 0.451 189 F N 1.161 121.103 119.950 -0.013 0.000 2.024 189 F HA -0.215 4.437 4.527 0.208 0.000 0.301 189 F C 2.197 178.040 175.800 0.071 0.000 1.256 189 F CA 2.036 59.972 58.000 -0.106 0.000 1.205 189 F CB -0.997 37.793 39.000 -0.349 0.000 0.943 189 F HN 0.163 nan 8.300 nan 0.000 0.529 190 W N 0.674 122.146 121.300 0.288 0.000 2.279 190 W HA -0.300 4.484 4.660 0.206 0.000 0.298 190 W C 2.412 179.068 176.519 0.229 0.000 1.228 190 W CA 1.008 58.486 57.345 0.222 0.000 1.230 190 W CB -0.743 28.875 29.460 0.263 0.000 1.138 190 W HN 0.230 nan 8.180 nan 0.000 0.532 191 L N -0.527 120.930 121.223 0.391 0.000 1.961 191 L HA -0.268 4.197 4.340 0.209 0.000 0.209 191 L C 2.726 180.000 176.870 0.674 0.000 1.075 191 L CA 1.425 56.496 54.840 0.384 0.000 0.749 191 L CB -1.191 40.965 42.059 0.163 0.000 0.890 191 L HN 0.064 nan 8.230 nan 0.000 0.433 192 M N -0.108 119.772 119.600 0.466 0.000 2.116 192 M HA -0.353 4.252 4.480 0.209 0.000 0.255 192 M C 2.209 178.678 176.300 0.280 0.000 1.075 192 M CA 2.174 57.654 55.300 0.301 0.000 1.087 192 M CB -1.339 31.371 32.600 0.183 0.000 1.340 192 M HN 0.515 nan 8.290 nan 0.000 0.402 193 W N 0.496 121.839 121.300 0.071 0.000 2.364 193 W HA -0.309 4.476 4.660 0.207 0.000 0.281 193 W C 2.047 178.700 176.519 0.222 0.000 1.219 193 W CA 1.323 58.713 57.345 0.075 0.000 1.220 193 W CB -0.689 28.772 29.460 0.002 0.000 1.127 193 W HN 0.357 nan 8.180 nan 0.000 0.556 194 F N 1.202 121.157 119.950 0.008 0.000 2.031 194 F HA -0.296 4.357 4.527 0.210 0.000 0.295 194 F C 2.264 178.024 175.800 -0.066 0.000 1.133 194 F CA 1.879 59.820 58.000 -0.097 0.000 1.188 194 F CB -1.016 37.990 39.000 0.011 0.000 0.974 194 F HN -0.269 nan 8.300 nan 0.000 0.473 195 L N 1.073 122.188 121.223 -0.180 0.000 1.991 195 L HA -0.307 4.158 4.340 0.209 0.000 0.221 195 L C 2.768 179.552 176.870 -0.143 0.000 1.079 195 L CA 2.025 56.701 54.840 -0.274 0.000 0.778 195 L CB -2.087 39.862 42.059 -0.183 0.000 0.893 195 L HN 0.392 nan 8.230 nan 0.000 0.437 196 A N -0.242 122.504 122.820 -0.124 0.000 1.912 196 A HA -0.370 4.075 4.320 0.209 0.000 0.217 196 A C 2.300 179.644 177.584 -0.400 0.000 1.309 196 A CA 3.558 55.540 52.037 -0.092 0.000 0.726 196 A CB -1.541 17.376 19.000 -0.138 0.000 0.840 196 A HN 0.650 nan 8.150 nan 0.000 0.473 197 S N 0.238 115.343 115.700 -0.992 0.000 2.468 197 S HA -0.264 4.331 4.470 0.209 0.000 0.259 197 S C 1.565 175.751 174.600 -0.690 0.000 1.038 197 S CA 1.947 59.546 58.200 -1.001 0.000 1.001 197 S CB -1.183 61.481 63.200 -0.893 0.000 0.773 197 S HN 0.493 nan 8.310 nan 0.000 0.500 198 L N 1.235 122.007 121.223 -0.752 0.000 2.093 198 L HA 0.073 4.538 4.340 0.209 0.000 0.208 198 L C 2.997 179.133 176.870 -1.223 0.000 1.085 198 L CA 1.021 55.330 54.840 -0.885 0.000 0.755 198 L CB -1.498 40.037 42.059 -0.873 0.000 0.904 198 L HN 0.476 nan 8.230 nan 0.000 0.435 199 G N 0.911 108.639 108.800 -1.786 0.000 2.587 199 G HA2 -0.318 3.768 3.960 0.209 0.000 0.217 199 G HA3 -0.318 3.768 3.960 0.209 0.000 0.217 199 G C 1.528 176.005 174.900 -0.704 0.000 1.240 199 G CA 1.145 45.272 45.100 -1.621 0.000 0.794 199 G HN 0.210 nan 8.290 nan 0.000 0.580 200 L N 0.626 121.508 121.223 -0.567 0.000 1.971 200 L HA -0.076 4.389 4.340 0.209 0.000 0.215 200 L C 2.947 179.602 176.870 -0.359 0.000 1.072 200 L CA 1.834 56.428 54.840 -0.411 0.000 0.758 200 L CB -0.965 40.846 42.059 -0.414 0.000 0.889 200 L HN 0.101 nan 8.230 nan 0.000 0.433 201 V N 0.009 119.651 119.914 -0.453 0.000 2.250 201 V HA -0.401 3.844 4.120 0.209 0.000 0.253 201 V C 2.650 178.560 176.094 -0.307 0.000 1.065 201 V CA 2.393 64.442 62.300 -0.419 0.000 1.039 201 V CB -0.553 30.927 31.823 -0.573 0.000 0.647 201 V HN 0.536 nan 8.190 nan 0.000 0.446 202 L N -0.478 120.549 121.223 -0.325 0.000 1.991 202 L HA -0.318 4.148 4.340 0.209 0.000 0.221 202 L C 2.570 179.468 176.870 0.046 0.000 1.079 202 L CA 2.643 57.388 54.840 -0.158 0.000 0.778 202 L CB -1.195 40.755 42.059 -0.182 0.000 0.893 202 L HN 0.495 nan 8.230 nan 0.000 0.437 203 E N 0.333 120.568 120.200 0.059 0.000 2.130 203 E HA -0.265 4.210 4.350 0.209 0.000 0.196 203 E C 2.118 178.819 176.600 0.168 0.000 0.998 203 E CA 1.485 58.014 56.400 0.215 0.000 0.806 203 E CB 0.072 29.821 29.700 0.081 0.000 0.738 203 E HN 0.496 nan 8.360 nan 0.000 0.459 204 A N 0.630 123.440 122.820 -0.017 0.000 1.825 204 A HA -0.140 4.305 4.320 0.209 0.000 0.214 204 A C 2.434 179.971 177.584 -0.077 0.000 1.206 204 A CA 1.854 53.837 52.037 -0.090 0.000 0.609 204 A CB -1.031 17.871 19.000 -0.164 0.000 0.851 204 A HN 0.195 nan 8.150 nan 0.000 0.445 205 V N 0.751 120.605 119.914 -0.101 0.000 2.220 205 V HA -0.335 3.910 4.120 0.209 0.000 0.250 205 V C 2.560 178.592 176.094 -0.103 0.000 1.056 205 V CA 2.251 64.492 62.300 -0.098 0.000 1.016 205 V CB -1.426 30.329 31.823 -0.112 0.000 0.639 205 V HN 0.553 nan 8.190 nan 0.000 0.446 206 L N -1.958 119.189 121.223 -0.127 0.000 2.083 206 L HA -0.084 4.381 4.340 0.209 0.000 0.209 206 L C 2.249 178.783 176.870 -0.561 0.000 1.083 206 L CA 1.876 56.486 54.840 -0.383 0.000 0.752 206 L CB -0.521 41.210 42.059 -0.547 0.000 0.899 206 L HN 0.340 nan 8.230 nan 0.000 0.433 207 F N -1.825 118.105 119.950 -0.034 0.000 2.282 207 F HA 0.141 4.793 4.527 0.208 0.000 0.255 207 F C 2.031 177.802 175.800 -0.049 0.000 0.959 207 F CA -0.368 57.603 58.000 -0.049 0.000 1.170 207 F CB -0.495 38.456 39.000 -0.082 0.000 1.376 207 F HN -0.333 nan 8.300 nan 0.000 0.709 208 L N 0.632 121.919 121.223 0.107 0.000 2.081 208 L HA -0.251 4.214 4.340 0.209 0.000 0.212 208 L C 2.224 178.975 176.870 -0.199 0.000 1.080 208 L CA 1.479 56.235 54.840 -0.140 0.000 0.754 208 L CB -0.557 41.264 42.059 -0.397 0.000 0.893 208 L HN 0.272 nan 8.230 nan 0.000 0.433 209 L N -0.946 120.195 121.223 -0.137 0.000 2.068 209 L HA -0.076 4.389 4.340 0.209 0.000 0.204 209 L C -0.162 176.675 176.870 -0.056 0.000 1.076 209 L CA 0.826 55.554 54.840 -0.187 0.000 0.753 209 L CB -1.741 40.192 42.059 -0.211 0.000 0.910 209 L HN 0.217 nan 8.230 nan 0.000 0.439 210 P HA -0.262 nan 4.420 nan 0.000 0.212 210 P C 1.221 178.625 177.300 0.175 0.000 1.178 210 P CA 1.513 64.682 63.100 0.115 0.000 0.915 210 P CB -0.342 31.397 31.700 0.066 0.000 0.788 211 W N 1.873 123.161 121.300 -0.020 0.000 2.277 211 W HA -0.298 4.487 4.660 0.208 0.000 0.327 211 W C 2.665 179.201 176.519 0.028 0.000 1.284 211 W CA 3.342 60.685 57.345 -0.002 0.000 1.277 211 W CB -1.477 27.968 29.460 -0.023 0.000 1.141 211 W HN 0.136 nan 8.180 nan 0.000 0.482 212 S N -1.477 114.197 115.700 -0.042 0.000 2.336 212 S HA -0.184 4.411 4.470 0.209 0.000 0.216 212 S C 2.152 176.799 174.600 0.079 0.000 1.032 212 S CA 1.182 59.299 58.200 -0.139 0.000 0.973 212 S CB -1.629 61.594 63.200 0.039 0.000 0.888 212 S HN 0.336 nan 8.310 nan 0.000 0.455 213 F N 2.673 122.632 119.950 0.015 0.000 2.286 213 F HA -0.105 4.547 4.527 0.208 0.000 0.301 213 F C 2.083 177.758 175.800 -0.208 0.000 1.043 213 F CA 0.678 58.571 58.000 -0.178 0.000 1.380 213 F CB -0.317 38.576 39.000 -0.178 0.000 1.087 213 F HN 0.639 nan 8.300 nan 0.000 0.537 214 G N -1.345 107.491 108.800 0.061 0.000 2.192 214 G HA2 -0.220 3.866 3.960 0.209 0.000 0.193 214 G HA3 -0.220 3.866 3.960 0.209 0.000 0.193 214 G C 0.501 175.411 174.900 0.017 0.000 0.999 214 G CA 0.058 45.156 45.100 -0.004 0.000 0.659 214 G HN 0.164 nan 8.290 nan 0.000 0.503 215 L N 0.481 121.742 121.223 0.063 0.000 2.221 215 L HA 0.406 4.872 4.340 0.209 0.000 0.202 215 L C 1.939 178.850 176.870 0.069 0.000 1.074 215 L CA 1.719 56.593 54.840 0.056 0.000 0.795 215 L CB -0.570 41.525 42.059 0.059 0.000 0.960 215 L HN 0.475 nan 8.230 nan 0.000 0.458 216 V N -3.224 116.763 119.914 0.120 0.000 3.345 216 V HA 0.475 4.721 4.120 0.209 0.000 0.308 216 V C 0.789 177.004 176.094 0.201 0.000 1.168 216 V CA -0.660 61.718 62.300 0.131 0.000 1.024 216 V CB 1.478 33.369 31.823 0.113 0.000 1.211 216 V HN 0.053 nan 8.190 nan 0.000 0.461 217 E N -0.321 120.001 120.200 0.203 0.000 2.465 217 E HA 0.422 4.897 4.350 0.209 0.000 0.209 217 E C 0.455 177.291 176.600 0.394 0.000 0.951 217 E CA 0.672 57.214 56.400 0.237 0.000 0.997 217 E CB 0.893 30.661 29.700 0.113 0.000 1.025 217 E HN 1.086 nan 8.360 nan 0.000 0.500 218 G N -0.376 108.592 108.800 0.281 0.000 2.696 218 G HA2 0.518 4.603 3.960 0.209 0.000 0.295 218 G HA3 0.518 4.603 3.960 0.209 0.000 0.295 218 G C -1.430 173.345 174.900 -0.209 0.000 1.398 218 G CA -0.583 44.558 45.100 0.069 0.000 0.920 218 G HN -0.020 nan 8.290 nan 0.000 0.492 219 V N 0.783 120.381 119.914 -0.527 0.000 2.555 219 V HA 0.391 4.636 4.120 0.209 0.000 0.302 219 V C -0.400 175.538 176.094 -0.259 0.000 1.038 219 V CA -0.910 61.154 62.300 -0.393 0.000 0.887 219 V CB 1.770 33.205 31.823 -0.647 0.000 0.991 219 V HN 0.847 nan 8.190 nan 0.000 0.434 220 D N 6.749 127.051 120.400 -0.162 0.000 2.358 220 D HA 0.165 4.930 4.640 0.209 0.000 0.258 220 D C -0.948 175.227 176.300 -0.208 0.000 1.223 220 D CA -1.531 52.377 54.000 -0.153 0.000 0.886 220 D CB 1.522 42.246 40.800 -0.127 0.000 1.120 220 D HN 0.285 nan 8.370 nan 0.000 0.482 221 P HA -0.187 nan 4.420 nan 0.000 0.219 221 P C 1.363 178.618 177.300 -0.076 0.000 1.146 221 P CA 0.268 63.311 63.100 -0.095 0.000 0.808 221 P CB 0.338 32.007 31.700 -0.050 0.000 0.779 222 L N 1.119 122.285 121.223 -0.094 0.000 2.034 222 L HA -0.058 4.407 4.340 0.209 0.000 0.203 222 L C 2.530 179.367 176.870 -0.056 0.000 1.074 222 L CA 1.756 56.559 54.840 -0.061 0.000 0.748 222 L CB -1.620 40.398 42.059 -0.068 0.000 0.905 222 L HN -0.121 nan 8.230 nan 0.000 0.439 223 V N -2.216 117.603 119.914 -0.159 0.000 2.970 223 V HA 0.004 4.249 4.120 0.209 0.000 0.260 223 V C 2.582 178.533 176.094 -0.238 0.000 1.100 223 V CA 1.027 63.225 62.300 -0.170 0.000 1.122 223 V CB -1.851 29.760 31.823 -0.353 0.000 0.721 223 V HN 0.385 nan 8.190 nan 0.000 0.483 224 A N 2.664 125.303 122.820 -0.302 0.000 1.903 224 A HA -0.257 4.188 4.320 0.209 0.000 0.219 224 A C 2.436 180.083 177.584 0.104 0.000 1.191 224 A CA 2.706 54.625 52.037 -0.196 0.000 0.638 224 A CB -0.485 18.445 19.000 -0.118 0.000 0.823 224 A HN 0.833 nan 8.150 nan 0.000 0.451 225 R N -2.241 118.383 120.500 0.207 0.000 2.437 225 R HA 0.200 4.665 4.340 0.209 0.000 0.257 225 R C 0.980 177.619 176.300 0.564 0.000 0.927 225 R CA 0.847 57.217 56.100 0.451 0.000 1.078 225 R CB -0.326 30.265 30.300 0.485 0.000 1.161 225 R HN 0.281 nan 8.270 nan 0.000 0.529 226 T N 1.444 116.235 114.554 0.394 0.000 2.901 226 T HA 0.128 4.603 4.350 0.209 0.000 0.252 226 T C 1.884 176.944 174.700 0.600 0.000 1.035 226 T CA 0.397 62.786 62.100 0.482 0.000 1.142 226 T CB -0.035 69.040 68.868 0.344 0.000 0.869 226 T HN 0.023 nan 8.240 nan 0.000 0.442 227 L N 0.427 121.921 121.223 0.451 0.000 2.021 227 L HA -0.156 4.309 4.340 0.209 0.000 0.215 227 L C 2.319 179.333 176.870 0.240 0.000 1.074 227 L CA 1.883 56.935 54.840 0.354 0.000 0.760 227 L CB -0.659 41.503 42.059 0.172 0.000 0.889 227 L HN 0.232 nan 8.230 nan 0.000 0.433 228 F N -0.172 119.850 119.950 0.121 0.000 2.043 228 F HA -0.285 4.368 4.527 0.209 0.000 0.297 228 F C 2.040 177.761 175.800 -0.131 0.000 1.121 228 F CA 1.872 59.840 58.000 -0.053 0.000 1.199 228 F CB -0.533 38.361 39.000 -0.177 0.000 0.968 228 F HN -0.028 nan 8.300 nan 0.000 0.478 229 W N -0.142 121.424 121.300 0.443 0.000 2.825 229 W HA -0.095 4.690 4.660 0.209 0.000 0.243 229 W C 2.136 178.798 176.519 0.238 0.000 1.293 229 W CA 0.504 58.035 57.345 0.311 0.000 1.403 229 W CB -0.625 29.043 29.460 0.347 0.000 1.134 229 W HN 0.333 nan 8.180 nan 0.000 0.666 230 W N 1.331 122.761 121.300 0.217 0.000 2.285 230 W HA -0.319 4.465 4.660 0.208 0.000 0.333 230 W C 1.624 178.009 176.519 -0.224 0.000 1.290 230 W CA 2.925 60.155 57.345 -0.191 0.000 1.234 230 W CB -1.278 27.969 29.460 -0.355 0.000 1.154 230 W HN -0.238 nan 8.180 nan 0.000 0.463 231 T N 0.508 115.189 114.554 0.212 0.000 2.770 231 T HA -0.046 4.429 4.350 0.209 0.000 0.263 231 T C 1.919 176.597 174.700 -0.036 0.000 1.039 231 T CA 2.051 64.165 62.100 0.024 0.000 1.142 231 T CB -1.164 67.544 68.868 -0.267 0.000 0.868 231 T HN 0.338 nan 8.240 nan 0.000 0.435 232 G N 0.038 108.689 108.800 -0.248 0.000 2.537 232 G HA2 -0.277 3.809 3.960 0.209 0.000 0.220 232 G HA3 -0.277 3.809 3.960 0.209 0.000 0.220 232 G C 1.118 175.979 174.900 -0.065 0.000 1.111 232 G CA 1.346 46.191 45.100 -0.425 0.000 0.748 232 G HN 0.622 nan 8.290 nan 0.000 0.564 233 H N 1.074 120.228 119.070 0.141 0.000 2.273 233 H HA 0.062 4.743 4.556 0.208 0.000 0.317 233 H C 0.171 175.622 175.328 0.204 0.000 1.062 233 H CA 1.155 57.368 56.048 0.275 0.000 1.419 233 H CB -0.250 29.758 29.762 0.409 0.000 1.442 233 H HN 0.079 nan 8.280 nan 0.000 0.542 234 P HA -0.276 nan 4.420 nan 0.000 0.222 234 P C 1.780 179.088 177.300 0.014 0.000 1.155 234 P CA 1.886 65.216 63.100 0.383 0.000 0.890 234 P CB -0.250 31.625 31.700 0.291 0.000 0.790 235 I N -0.480 119.968 120.570 -0.203 0.000 2.657 235 I HA -0.188 4.107 4.170 0.209 0.000 0.261 235 I C 2.005 177.203 176.117 -1.533 0.000 1.212 235 I CA 1.112 62.013 61.300 -0.664 0.000 1.453 235 I CB -0.075 37.582 38.000 -0.572 0.000 1.092 235 I HN -0.144 nan 8.210 nan 0.000 0.452 236 V N -0.468 118.592 119.914 -1.423 0.000 2.256 236 V HA -0.267 3.978 4.120 0.209 0.000 0.240 236 V C 2.244 177.910 176.094 -0.713 0.000 1.036 236 V CA 1.232 62.607 62.300 -1.542 0.000 1.008 236 V CB -1.732 29.485 31.823 -1.011 0.000 0.648 236 V HN 0.356 nan 8.190 nan 0.000 0.453 237 Y N 0.790 120.878 120.300 -0.353 0.000 2.172 237 Y HA -0.281 4.394 4.550 0.208 0.000 0.280 237 Y C 2.425 178.193 175.900 -0.221 0.000 1.209 237 Y CA 2.599 60.525 58.100 -0.290 0.000 1.171 237 Y CB -1.388 36.907 38.460 -0.274 0.000 0.965 237 Y HN 0.388 nan 8.280 nan 0.000 0.520 238 F N -0.367 119.408 119.950 -0.293 0.000 2.075 238 F HA -0.253 4.400 4.527 0.210 0.000 0.297 238 F C 1.858 177.607 175.800 -0.086 0.000 1.113 238 F CA 1.415 59.228 58.000 -0.312 0.000 1.218 238 F CB -0.665 37.883 39.000 -0.752 0.000 0.984 238 F HN 0.010 nan 8.300 nan 0.000 0.472 239 W N 0.376 121.781 121.300 0.176 0.000 2.342 239 W HA -0.187 4.598 4.660 0.207 0.000 0.297 239 W C 2.279 178.728 176.519 -0.117 0.000 1.213 239 W CA 1.189 58.546 57.345 0.020 0.000 1.251 239 W CB -1.623 27.839 29.460 0.004 0.000 1.136 239 W HN 0.209 nan 8.180 nan 0.000 0.526 240 L N -0.519 120.748 121.223 0.073 0.000 2.209 240 L HA 0.018 4.483 4.340 0.209 0.000 0.207 240 L C 2.093 178.851 176.870 -0.187 0.000 1.094 240 L CA 1.320 56.100 54.840 -0.100 0.000 0.790 240 L CB -0.795 41.136 42.059 -0.213 0.000 0.932 240 L HN -0.230 nan 8.230 nan 0.000 0.447 241 L N 0.134 121.258 121.223 -0.165 0.000 2.072 241 L HA 0.008 4.473 4.340 0.209 0.000 0.205 241 L C -0.455 176.321 176.870 -0.156 0.000 1.079 241 L CA 1.609 56.355 54.840 -0.157 0.000 0.752 241 L CB -1.740 40.157 42.059 -0.270 0.000 0.906 241 L HN 0.148 nan 8.230 nan 0.000 0.436 242 P HA -0.257 nan 4.420 nan 0.000 0.218 242 P C 1.228 178.597 177.300 0.115 0.000 1.150 242 P CA 2.005 64.954 63.100 -0.253 0.000 0.841 242 P CB -0.012 31.596 31.700 -0.153 0.000 0.784 243 A N -2.837 120.087 122.820 0.174 0.000 2.030 243 A HA -0.055 4.390 4.320 0.209 0.000 0.215 243 A C 2.065 179.820 177.584 0.285 0.000 1.164 243 A CA 0.592 52.759 52.037 0.217 0.000 0.697 243 A CB -1.362 17.680 19.000 0.070 0.000 0.827 243 A HN 0.184 nan 8.150 nan 0.000 0.457 244 Y N -0.296 120.119 120.300 0.191 0.000 2.314 244 Y HA -0.125 4.549 4.550 0.207 0.000 0.293 244 Y C 2.865 179.044 175.900 0.465 0.000 1.129 244 Y CA 0.170 58.493 58.100 0.372 0.000 1.201 244 Y CB -0.007 38.737 38.460 0.474 0.000 0.999 244 Y HN 0.442 nan 8.280 nan 0.000 0.541 245 A N 1.168 124.274 122.820 0.476 0.000 1.834 245 A HA -0.235 4.210 4.320 0.209 0.000 0.216 245 A C 2.014 179.717 177.584 0.197 0.000 1.203 245 A CA 1.766 53.931 52.037 0.213 0.000 0.621 245 A CB -1.035 18.007 19.000 0.069 0.000 0.841 245 A HN 0.335 nan 8.150 nan 0.000 0.446 246 I N -0.040 120.648 120.570 0.195 0.000 2.091 246 I HA -0.328 3.967 4.170 0.209 0.000 0.240 246 I C 2.557 178.772 176.117 0.163 0.000 1.046 246 I CA 1.990 63.410 61.300 0.201 0.000 1.306 246 I CB -1.353 36.831 38.000 0.305 0.000 1.018 246 I HN 0.360 nan 8.210 nan 0.000 0.404 247 I N -0.692 119.999 120.570 0.202 0.000 2.127 247 I HA -0.357 3.938 4.170 0.209 0.000 0.241 247 I C 2.687 178.850 176.117 0.075 0.000 1.075 247 I CA 1.693 63.071 61.300 0.129 0.000 1.334 247 I CB -0.475 37.613 38.000 0.148 0.000 1.040 247 I HN 0.108 nan 8.210 nan 0.000 0.405 248 Y N 0.791 121.127 120.300 0.060 0.000 2.128 248 Y HA -0.297 4.378 4.550 0.208 0.000 0.284 248 Y C 2.881 178.782 175.900 0.002 0.000 1.154 248 Y CA 2.206 60.311 58.100 0.008 0.000 1.149 248 Y CB -0.224 38.220 38.460 -0.026 0.000 0.976 248 Y HN 0.317 nan 8.280 nan 0.000 0.505 249 T N -4.024 110.631 114.554 0.169 0.000 2.971 249 T HA 0.212 4.687 4.350 0.209 0.000 0.252 249 T C 1.363 176.119 174.700 0.093 0.000 1.022 249 T CA 0.273 62.456 62.100 0.140 0.000 0.980 249 T CB -0.134 68.844 68.868 0.183 0.000 1.044 249 T HN 0.221 nan 8.240 nan 0.000 0.501 250 I N -0.492 120.080 120.570 0.004 0.000 3.393 250 I HA 0.255 4.550 4.170 0.209 0.000 0.250 250 I C 1.988 178.040 176.117 -0.108 0.000 1.122 250 I CA -0.114 61.101 61.300 -0.143 0.000 1.484 250 I CB -0.158 37.648 38.000 -0.325 0.000 1.468 250 I HN 0.073 nan 8.210 nan 0.000 0.461 251 L N 2.556 123.751 121.223 -0.048 0.000 2.077 251 L HA -0.244 4.222 4.340 0.209 0.000 0.231 251 L C -0.811 176.089 176.870 0.050 0.000 1.100 251 L CA 2.769 57.621 54.840 0.019 0.000 0.819 251 L CB -1.673 40.403 42.059 0.029 0.000 0.913 251 L HN 0.091 nan 8.230 nan 0.000 0.446 252 P HA -0.225 nan 4.420 nan 0.000 0.218 252 P C 1.306 178.620 177.300 0.023 0.000 1.146 252 P CA 2.048 65.180 63.100 0.054 0.000 0.820 252 P CB -0.072 31.662 31.700 0.057 0.000 0.778 253 K N -0.479 119.913 120.400 -0.013 0.000 2.262 253 K HA -0.063 4.382 4.320 0.209 0.000 0.200 253 K C 1.974 178.529 176.600 -0.075 0.000 1.049 253 K CA 0.649 56.911 56.287 -0.042 0.000 0.979 253 K CB -0.295 32.175 32.500 -0.050 0.000 0.773 253 K HN -0.027 nan 8.250 nan 0.000 0.474 254 Q N 0.747 120.501 119.800 -0.076 0.000 2.061 254 Q HA -0.161 4.304 4.340 0.209 0.000 0.204 254 Q C 2.267 178.196 176.000 -0.118 0.000 0.984 254 Q CA 1.752 57.522 55.803 -0.056 0.000 0.846 254 Q CB -0.562 28.215 28.738 0.066 0.000 0.902 254 Q HN 0.458 nan 8.270 nan 0.000 0.421 255 A N 0.858 123.644 122.820 -0.057 0.000 1.940 255 A HA 0.085 4.530 4.320 0.209 0.000 0.219 255 A C 1.444 178.914 177.584 -0.190 0.000 1.176 255 A CA 1.663 53.594 52.037 -0.178 0.000 0.631 255 A CB -0.783 18.238 19.000 0.035 0.000 0.814 255 A HN 0.606 nan 8.150 nan 0.000 0.446 256 G N -2.322 106.416 108.800 -0.105 0.000 2.756 256 G HA2 0.413 4.498 3.960 0.209 0.000 0.272 256 G HA3 0.413 4.498 3.960 0.209 0.000 0.272 256 G C 0.390 175.246 174.900 -0.075 0.000 1.128 256 G CA 0.411 45.455 45.100 -0.093 0.000 1.145 256 G HN 1.861 nan 8.290 nan 0.000 0.545 257 G N -0.511 108.284 108.800 -0.009 0.000 2.500 257 G HA2 0.819 4.905 3.960 0.209 0.000 0.299 257 G HA3 0.819 4.905 3.960 0.209 0.000 0.299 257 G C -0.989 174.000 174.900 0.150 0.000 1.242 257 G CA -0.655 44.488 45.100 0.071 0.000 0.859 257 G HN 0.678 nan 8.290 nan 0.000 0.481 258 R N -0.677 119.979 120.500 0.259 0.000 2.673 258 R HA 0.487 4.952 4.340 0.209 0.000 0.281 258 R C -0.981 175.370 176.300 0.084 0.000 0.991 258 R CA -0.927 55.261 56.100 0.146 0.000 0.896 258 R CB 2.484 32.867 30.300 0.137 0.000 1.201 258 R HN 0.558 nan 8.270 nan 0.000 0.457 259 L N 3.656 124.910 121.223 0.051 0.000 2.640 259 L HA -0.072 4.393 4.340 0.209 0.000 0.280 259 L C 1.211 178.075 176.870 -0.011 0.000 1.229 259 L CA 0.493 55.352 54.840 0.032 0.000 0.919 259 L CB 0.872 42.963 42.059 0.053 0.000 1.168 259 L HN 0.715 nan 8.230 nan 0.000 0.496 260 V N 1.792 121.685 119.914 -0.034 0.000 2.913 260 V HA 0.095 4.341 4.120 0.209 0.000 0.260 260 V C 0.926 176.995 176.094 -0.042 0.000 1.098 260 V CA 1.188 63.438 62.300 -0.085 0.000 1.121 260 V CB -0.449 31.319 31.823 -0.090 0.000 0.714 260 V HN 0.961 nan 8.190 nan 0.000 0.487 261 S N -0.663 115.041 115.700 0.007 0.000 2.461 261 S HA 0.260 4.856 4.470 0.209 0.000 0.245 261 S C 0.119 174.729 174.600 0.016 0.000 1.039 261 S CA -0.097 58.110 58.200 0.012 0.000 1.077 261 S CB 1.148 64.368 63.200 0.033 0.000 1.171 261 S HN 0.538 nan 8.310 nan 0.000 0.433 262 D N 5.158 125.545 120.400 -0.021 0.000 2.103 262 D HA -0.066 4.699 4.640 0.209 0.000 0.190 262 D C -0.621 175.641 176.300 -0.064 0.000 0.997 262 D CA 2.350 56.322 54.000 -0.048 0.000 0.833 262 D CB -0.142 40.616 40.800 -0.069 0.000 0.961 262 D HN 0.487 nan 8.370 nan 0.000 0.447 263 P HA -0.190 nan 4.420 nan 0.000 0.216 263 P C 1.353 178.614 177.300 -0.065 0.000 1.157 263 P CA 1.380 64.433 63.100 -0.079 0.000 0.880 263 P CB -0.186 31.477 31.700 -0.062 0.000 0.791 264 M N -1.425 118.165 119.600 -0.017 0.000 2.632 264 M HA 0.019 4.624 4.480 0.209 0.000 0.256 264 M C 1.860 178.157 176.300 -0.005 0.000 1.080 264 M CA 0.869 56.183 55.300 0.023 0.000 1.084 264 M CB -1.435 31.229 32.600 0.106 0.000 1.439 264 M HN -0.036 nan 8.290 nan 0.000 0.509 265 A N -0.663 122.088 122.820 -0.115 0.000 2.167 265 A HA 0.118 4.563 4.320 0.209 0.000 0.208 265 A C 2.249 179.588 177.584 -0.408 0.000 1.198 265 A CA 0.031 51.773 52.037 -0.492 0.000 0.863 265 A CB 0.034 18.760 19.000 -0.457 0.000 0.904 265 A HN 0.342 nan 8.150 nan 0.000 0.484 266 R N -0.810 119.591 120.500 -0.166 0.000 2.075 266 R HA 0.037 4.502 4.340 0.209 0.000 0.226 266 R C 1.965 178.291 176.300 0.043 0.000 1.114 266 R CA 1.144 57.288 56.100 0.073 0.000 0.972 266 R CB -0.436 29.850 30.300 -0.023 0.000 0.869 266 R HN 0.405 nan 8.270 nan 0.000 0.437 267 L N 1.160 122.344 121.223 -0.066 0.000 1.970 267 L HA -0.176 4.289 4.340 0.209 0.000 0.212 267 L C 2.272 179.066 176.870 -0.126 0.000 1.071 267 L CA 2.155 56.935 54.840 -0.100 0.000 0.751 267 L CB -0.959 41.040 42.059 -0.100 0.000 0.889 267 L HN 0.191 nan 8.230 nan 0.000 0.432 268 A N -0.806 121.935 122.820 -0.133 0.000 1.896 268 A HA -0.314 4.131 4.320 0.209 0.000 0.220 268 A C 2.172 179.572 177.584 -0.307 0.000 1.206 268 A CA 2.509 54.399 52.037 -0.245 0.000 0.647 268 A CB -1.359 17.554 19.000 -0.146 0.000 0.828 268 A HN 0.476 nan 8.150 nan 0.000 0.455 269 F N -1.090 118.678 119.950 -0.303 0.000 2.269 269 F HA -0.091 4.562 4.527 0.210 0.000 0.301 269 F C 2.011 177.753 175.800 -0.098 0.000 1.082 269 F CA 1.042 58.988 58.000 -0.091 0.000 1.360 269 F CB -0.661 38.278 39.000 -0.103 0.000 1.041 269 F HN 0.207 nan 8.300 nan 0.000 0.512 270 L N -0.128 121.105 121.223 0.016 0.000 2.046 270 L HA -0.162 4.303 4.340 0.209 0.000 0.208 270 L C 2.097 178.871 176.870 -0.160 0.000 1.077 270 L CA 1.633 56.401 54.840 -0.119 0.000 0.747 270 L CB -0.780 41.112 42.059 -0.279 0.000 0.896 270 L HN 0.082 nan 8.230 nan 0.000 0.432 271 L N -2.042 119.047 121.223 -0.223 0.000 2.265 271 L HA -0.222 4.244 4.340 0.209 0.000 0.215 271 L C 2.187 178.996 176.870 -0.102 0.000 1.117 271 L CA 1.078 55.788 54.840 -0.215 0.000 0.782 271 L CB -0.613 41.253 42.059 -0.321 0.000 0.914 271 L HN 0.256 nan 8.230 nan 0.000 0.441 272 F N -0.245 119.666 119.950 -0.066 0.000 2.044 272 F HA -0.225 4.426 4.527 0.207 0.000 0.287 272 F C 2.373 178.127 175.800 -0.077 0.000 1.155 272 F CA 0.332 58.270 58.000 -0.103 0.000 1.152 272 F CB -0.451 38.445 39.000 -0.173 0.000 1.013 272 F HN -0.082 nan 8.300 nan 0.000 0.478 273 L N 0.703 122.036 121.223 0.183 0.000 2.151 273 L HA -0.292 4.174 4.340 0.209 0.000 0.219 273 L C 1.930 178.843 176.870 0.072 0.000 1.083 273 L CA 1.704 56.621 54.840 0.127 0.000 0.782 273 L CB -0.969 41.195 42.059 0.175 0.000 0.891 273 L HN 0.136 nan 8.230 nan 0.000 0.439 274 L N -1.082 120.176 121.223 0.058 0.000 2.017 274 L HA -0.092 4.373 4.340 0.209 0.000 0.208 274 L C 1.848 178.715 176.870 -0.006 0.000 1.073 274 L CA 1.636 56.497 54.840 0.035 0.000 0.745 274 L CB -0.427 41.655 42.059 0.039 0.000 0.894 274 L HN 0.286 nan 8.230 nan 0.000 0.432 275 L N -1.999 119.225 121.223 0.002 0.000 3.218 275 L HA 0.193 4.658 4.340 0.209 0.000 0.279 275 L C 1.167 177.983 176.870 -0.090 0.000 1.287 275 L CA 0.006 54.830 54.840 -0.028 0.000 1.024 275 L CB 0.336 42.406 42.059 0.018 0.000 1.409 275 L HN 0.024 nan 8.230 nan 0.000 0.580 276 S N -1.529 114.105 115.700 -0.110 0.000 2.575 276 S HA 0.056 4.651 4.470 0.209 0.000 0.230 276 S C 1.617 176.158 174.600 -0.098 0.000 1.062 276 S CA 0.394 58.493 58.200 -0.168 0.000 0.913 276 S CB 0.611 63.752 63.200 -0.098 0.000 0.837 276 S HN 0.360 nan 8.310 nan 0.000 0.487 277 T N 2.028 116.494 114.554 -0.147 0.000 3.000 277 T HA 0.160 4.635 4.350 0.209 0.000 0.248 277 T C -2.287 172.190 174.700 -0.373 0.000 1.034 277 T CA 0.111 62.079 62.100 -0.220 0.000 1.060 277 T CB -0.165 68.542 68.868 -0.269 0.000 0.983 277 T HN 0.239 nan 8.240 nan 0.000 0.482 278 P HA 0.370 nan 4.420 nan 0.000 0.208 278 P C 0.256 177.279 177.300 -0.461 0.000 1.837 278 P CA -0.004 62.886 63.100 -0.350 0.000 0.953 278 P CB -0.141 31.364 31.700 -0.325 0.000 1.870 279 V N -3.816 115.933 119.914 -0.274 0.000 3.523 279 V HA 0.375 4.620 4.120 0.209 0.000 0.273 279 V C 1.474 177.364 176.094 -0.340 0.000 1.675 279 V CA 0.811 62.933 62.300 -0.297 0.000 1.079 279 V CB -0.433 31.124 31.823 -0.444 0.000 0.901 279 V HN 0.143 nan 8.190 nan 0.000 0.406 280 G N 0.457 109.174 108.800 -0.138 0.000 3.079 280 G HA2 0.039 4.124 3.960 0.209 0.000 0.205 280 G HA3 0.039 4.124 3.960 0.209 0.000 0.205 280 G C 0.669 175.477 174.900 -0.154 0.000 1.203 280 G CA 0.929 46.023 45.100 -0.010 0.000 0.929 280 G HN 0.658 nan 8.290 nan 0.000 0.498 281 F N -0.845 118.934 119.950 -0.286 0.000 2.682 281 F HA 0.161 4.814 4.527 0.209 0.000 0.308 281 F C 2.257 177.647 175.800 -0.684 0.000 1.093 281 F CA -0.470 57.272 58.000 -0.430 0.000 1.244 281 F CB 0.187 38.851 39.000 -0.560 0.000 1.052 281 F HN 0.419 nan 8.300 nan 0.000 0.573 282 H N -1.197 117.459 119.070 -0.690 0.000 2.395 282 H HA -0.058 4.623 4.556 0.208 0.000 0.299 282 H C 1.121 175.808 175.328 -1.069 0.000 1.070 282 H CA 1.049 56.096 56.048 -1.668 0.000 1.356 282 H CB -0.688 28.464 29.762 -1.016 0.000 1.401 282 H HN 0.324 nan 8.280 nan 0.000 0.524 283 H N 0.636 119.494 119.070 -0.353 0.000 2.568 283 H HA -0.012 4.669 4.556 0.209 0.000 0.281 283 H C 0.664 175.654 175.328 -0.564 0.000 1.028 283 H CA 0.954 56.635 56.048 -0.612 0.000 1.199 283 H CB 0.267 29.120 29.762 -1.514 0.000 1.352 283 H HN 0.583 nan 8.280 nan 0.000 0.605 284 Q N -1.126 118.495 119.800 -0.297 0.000 1.989 284 Q HA 0.135 4.600 4.340 0.209 0.000 0.215 284 Q C 0.566 176.561 176.000 -0.008 0.000 0.809 284 Q CA -0.236 55.486 55.803 -0.135 0.000 1.024 284 Q CB 0.402 29.145 28.738 0.009 0.000 1.236 284 Q HN 0.273 nan 8.270 nan 0.000 0.429 285 F N -0.444 119.430 119.950 -0.127 0.000 2.722 285 F HA -0.036 4.617 4.527 0.209 0.000 0.298 285 F C 1.497 177.267 175.800 -0.050 0.000 1.175 285 F CA 0.754 58.730 58.000 -0.039 0.000 1.462 285 F CB 0.521 39.463 39.000 -0.098 0.000 1.111 285 F HN 0.289 nan 8.300 nan 0.000 0.592 286 A N -1.446 121.385 122.820 0.019 0.000 2.606 286 A HA 0.147 4.593 4.320 0.209 0.000 0.230 286 A C -0.104 177.488 177.584 0.015 0.000 1.279 286 A CA -0.370 51.675 52.037 0.014 0.000 1.010 286 A CB -0.025 18.788 19.000 -0.312 0.000 1.271 286 A HN 0.013 nan 8.150 nan 0.000 0.584 287 D N 2.224 122.616 120.400 -0.012 0.000 2.400 287 D HA 0.411 5.176 4.640 0.209 0.000 0.238 287 D C -2.176 174.118 176.300 -0.009 0.000 1.157 287 D CA -0.122 53.867 54.000 -0.017 0.000 0.889 287 D CB 0.703 41.481 40.800 -0.038 0.000 1.199 287 D HN 0.256 nan 8.370 nan 0.000 0.436 288 P HA 0.345 nan 4.420 nan 0.000 0.286 288 P C 0.282 177.553 177.300 -0.049 0.000 1.292 288 P CA -0.727 62.355 63.100 -0.029 0.000 0.842 288 P CB 0.920 32.602 31.700 -0.029 0.000 1.207 289 G N -0.477 108.293 108.800 -0.050 0.000 2.198 289 G HA2 -0.214 3.871 3.960 0.209 0.000 0.260 289 G HA3 -0.214 3.871 3.960 0.209 0.000 0.260 289 G C -0.185 174.663 174.900 -0.086 0.000 1.025 289 G CA 0.012 45.074 45.100 -0.064 0.000 0.769 289 G HN 0.512 nan 8.290 nan 0.000 0.507 290 I N 0.596 121.111 120.570 -0.091 0.000 2.500 290 I HA 0.169 4.464 4.170 0.209 0.000 0.286 290 I C -0.324 175.752 176.117 -0.068 0.000 1.063 290 I CA -0.942 60.270 61.300 -0.147 0.000 1.062 290 I CB 1.583 39.396 38.000 -0.310 0.000 1.223 290 I HN 0.114 nan 8.210 nan 0.000 0.435 291 D N 9.025 129.442 120.400 0.027 0.000 2.487 291 D HA 0.008 4.773 4.640 0.209 0.000 0.243 291 D C -1.726 174.591 176.300 0.027 0.000 1.154 291 D CA -0.944 53.089 54.000 0.055 0.000 0.876 291 D CB 1.733 42.594 40.800 0.101 0.000 1.161 291 D HN 0.223 nan 8.370 nan 0.000 0.478 292 P HA -0.124 nan 4.420 nan 0.000 0.219 292 P C 1.102 178.420 177.300 0.031 0.000 1.146 292 P CA 1.519 64.687 63.100 0.113 0.000 0.808 292 P CB 0.072 31.844 31.700 0.121 0.000 0.779 293 T N -6.327 108.177 114.554 -0.082 0.000 3.081 293 T HA -0.039 4.436 4.350 0.209 0.000 0.255 293 T C 1.527 176.109 174.700 -0.196 0.000 1.113 293 T CA 0.017 62.017 62.100 -0.168 0.000 1.082 293 T CB -1.030 67.718 68.868 -0.200 0.000 0.939 293 T HN 0.153 nan 8.240 nan 0.000 0.506 294 W N 2.332 123.588 121.300 -0.074 0.000 2.355 294 W HA 0.052 4.838 4.660 0.209 0.000 0.309 294 W C 2.517 179.016 176.519 -0.033 0.000 1.206 294 W CA 0.463 57.785 57.345 -0.039 0.000 1.284 294 W CB -0.047 29.276 29.460 -0.228 0.000 1.145 294 W HN 0.174 nan 8.180 nan 0.000 0.502 295 K N -0.450 119.973 120.400 0.038 0.000 1.987 295 K HA -0.286 4.160 4.320 0.209 0.000 0.216 295 K C 1.960 178.324 176.600 -0.393 0.000 1.051 295 K CA 2.002 58.246 56.287 -0.070 0.000 0.942 295 K CB -0.853 31.542 32.500 -0.175 0.000 0.722 295 K HN -0.055 nan 8.250 nan 0.000 0.444 296 M N 1.265 120.415 119.600 -0.750 0.000 2.146 296 M HA -0.209 4.396 4.480 0.209 0.000 0.256 296 M C 1.788 177.998 176.300 -0.151 0.000 1.075 296 M CA 1.537 56.504 55.300 -0.556 0.000 1.082 296 M CB -0.403 32.044 32.600 -0.254 0.000 1.355 296 M HN 0.208 nan 8.290 nan 0.000 0.402 297 I N -1.240 119.345 120.570 0.025 0.000 2.110 297 I HA -0.320 3.976 4.170 0.209 0.000 0.236 297 I C 1.871 178.110 176.117 0.203 0.000 1.068 297 I CA 1.468 62.860 61.300 0.152 0.000 1.333 297 I CB -0.544 37.627 38.000 0.286 0.000 1.054 297 I HN 0.296 nan 8.210 nan 0.000 0.402 298 H N -0.501 118.652 119.070 0.138 0.000 2.557 298 H HA -0.108 4.573 4.556 0.209 0.000 0.287 298 H C 2.293 177.695 175.328 0.124 0.000 1.043 298 H CA 0.873 56.975 56.048 0.091 0.000 1.226 298 H CB -0.245 29.562 29.762 0.076 0.000 1.361 298 H HN 0.189 nan 8.280 nan 0.000 0.592 299 S N -0.716 115.131 115.700 0.245 0.000 2.335 299 S HA -0.096 4.499 4.470 0.209 0.000 0.217 299 S C 2.265 176.894 174.600 0.047 0.000 1.032 299 S CA 1.110 59.431 58.200 0.202 0.000 0.985 299 S CB -0.222 62.997 63.200 0.031 0.000 0.896 299 S HN 0.246 nan 8.310 nan 0.000 0.445 300 V N 2.781 122.675 119.914 -0.034 0.000 2.427 300 V HA -0.119 4.126 4.120 0.209 0.000 0.248 300 V C 2.324 178.302 176.094 -0.194 0.000 1.051 300 V CA 1.318 63.485 62.300 -0.222 0.000 1.048 300 V CB -0.991 30.706 31.823 -0.210 0.000 0.666 300 V HN 0.405 nan 8.190 nan 0.000 0.456 301 L N 0.321 121.568 121.223 0.039 0.000 1.963 301 L HA -0.264 4.201 4.340 0.209 0.000 0.220 301 L C 2.795 179.710 176.870 0.074 0.000 1.076 301 L CA 2.491 57.398 54.840 0.112 0.000 0.772 301 L CB -1.392 40.636 42.059 -0.052 0.000 0.892 301 L HN 0.369 nan 8.230 nan 0.000 0.435 302 T N 0.494 115.070 114.554 0.037 0.000 2.620 302 T HA -0.282 4.193 4.350 0.209 0.000 0.267 302 T C 1.933 176.683 174.700 0.083 0.000 1.044 302 T CA 1.743 63.899 62.100 0.092 0.000 1.161 302 T CB -0.523 68.472 68.868 0.212 0.000 0.862 302 T HN 0.189 nan 8.240 nan 0.000 0.438 303 L N -0.364 120.843 121.223 -0.026 0.000 2.012 303 L HA -0.091 4.374 4.340 0.209 0.000 0.210 303 L C 2.392 179.252 176.870 -0.015 0.000 1.073 303 L CA 1.635 56.425 54.840 -0.083 0.000 0.748 303 L CB -0.670 41.221 42.059 -0.280 0.000 0.891 303 L HN 0.271 nan 8.230 nan 0.000 0.431 304 F N -1.498 118.492 119.950 0.067 0.000 2.236 304 F HA -0.243 4.410 4.527 0.208 0.000 0.302 304 F C 2.336 178.171 175.800 0.058 0.000 1.073 304 F CA 0.704 58.734 58.000 0.049 0.000 1.336 304 F CB -0.241 38.774 39.000 0.025 0.000 1.040 304 F HN -0.094 nan 8.300 nan 0.000 0.507 305 V N -0.425 119.625 119.914 0.227 0.000 3.461 305 V HA 0.019 4.264 4.120 0.209 0.000 0.267 305 V C 1.988 178.254 176.094 0.287 0.000 1.186 305 V CA 1.111 63.531 62.300 0.200 0.000 1.154 305 V CB -0.260 31.612 31.823 0.082 0.000 0.802 305 V HN 0.272 nan 8.190 nan 0.000 0.474 306 A N -0.501 122.477 122.820 0.262 0.000 2.016 306 A HA -0.041 4.404 4.320 0.209 0.000 0.217 306 A C 2.196 179.941 177.584 0.268 0.000 1.162 306 A CA 1.521 53.736 52.037 0.295 0.000 0.662 306 A CB -0.357 18.778 19.000 0.225 0.000 0.812 306 A HN 0.402 nan 8.150 nan 0.000 0.450 307 V N 1.271 121.311 119.914 0.211 0.000 2.231 307 V HA -0.248 3.998 4.120 0.209 0.000 0.250 307 V C -0.002 176.164 176.094 0.119 0.000 1.058 307 V CA 2.521 64.915 62.300 0.156 0.000 1.022 307 V CB -2.149 29.756 31.823 0.136 0.000 0.640 307 V HN 0.372 nan 8.190 nan 0.000 0.445 308 P HA -0.242 nan 4.420 nan 0.000 0.208 308 P C 1.884 179.296 177.300 0.187 0.000 0.999 308 P CA 2.676 65.741 63.100 -0.058 0.000 0.988 308 P CB -0.454 30.913 31.700 -0.554 0.000 0.745 309 S N -0.227 115.746 115.700 0.455 0.000 2.420 309 S HA -0.149 4.446 4.470 0.209 0.000 0.237 309 S C 2.126 176.973 174.600 0.412 0.000 1.023 309 S CA 0.955 59.511 58.200 0.594 0.000 0.991 309 S CB -1.199 62.541 63.200 0.900 0.000 0.792 309 S HN 0.086 nan 8.310 nan 0.000 0.488 310 L N 0.929 122.352 121.223 0.333 0.000 1.970 310 L HA -0.066 4.399 4.340 0.209 0.000 0.212 310 L C 2.567 179.572 176.870 0.225 0.000 1.071 310 L CA 1.644 56.642 54.840 0.263 0.000 0.751 310 L CB -0.279 41.905 42.059 0.208 0.000 0.889 310 L HN 0.421 nan 8.230 nan 0.000 0.432 311 M N -1.707 118.001 119.600 0.179 0.000 2.495 311 M HA -0.029 4.577 4.480 0.209 0.000 0.237 311 M C 1.408 177.813 176.300 0.176 0.000 1.131 311 M CA 0.692 56.078 55.300 0.144 0.000 1.032 311 M CB -0.093 32.549 32.600 0.069 0.000 1.513 311 M HN 0.112 nan 8.290 nan 0.000 0.488 312 T N 1.183 115.841 114.554 0.173 0.000 2.809 312 T HA 0.109 4.584 4.350 0.209 0.000 0.260 312 T C 1.790 176.507 174.700 0.029 0.000 1.039 312 T CA 1.413 63.568 62.100 0.091 0.000 1.141 312 T CB -0.156 68.678 68.868 -0.057 0.000 0.869 312 T HN 0.599 nan 8.240 nan 0.000 0.437 313 A N 0.341 123.242 122.820 0.134 0.000 2.186 313 A HA -0.007 4.438 4.320 0.209 0.000 0.219 313 A C 1.843 179.525 177.584 0.163 0.000 1.159 313 A CA 1.060 53.187 52.037 0.149 0.000 0.680 313 A CB -0.784 18.355 19.000 0.231 0.000 0.787 313 A HN 0.530 nan 8.150 nan 0.000 0.467 314 F N 0.657 120.626 119.950 0.032 0.000 2.220 314 F HA -0.024 4.628 4.527 0.208 0.000 0.290 314 F C 2.461 178.245 175.800 -0.026 0.000 1.080 314 F CA 1.909 59.920 58.000 0.019 0.000 1.318 314 F CB -0.451 38.566 39.000 0.029 0.000 1.063 314 F HN 0.205 nan 8.300 nan 0.000 0.498 315 T N 0.216 114.910 114.554 0.234 0.000 2.635 315 T HA -0.208 4.267 4.350 0.209 0.000 0.267 315 T C 2.119 176.741 174.700 -0.130 0.000 1.040 315 T CA 1.786 63.932 62.100 0.077 0.000 1.156 315 T CB -0.991 67.898 68.868 0.036 0.000 0.863 315 T HN 0.122 nan 8.240 nan 0.000 0.430 316 V N 1.847 121.628 119.914 -0.222 0.000 2.223 316 V HA -0.174 4.071 4.120 0.209 0.000 0.244 316 V C 3.004 179.031 176.094 -0.111 0.000 1.045 316 V CA 1.830 63.995 62.300 -0.225 0.000 1.000 316 V CB -1.415 30.244 31.823 -0.274 0.000 0.635 316 V HN 0.583 nan 8.190 nan 0.000 0.445 317 A N -0.087 122.683 122.820 -0.084 0.000 1.915 317 A HA -0.312 4.133 4.320 0.209 0.000 0.220 317 A C 2.394 179.862 177.584 -0.193 0.000 1.198 317 A CA 2.972 54.980 52.037 -0.049 0.000 0.647 317 A CB -1.064 17.911 19.000 -0.042 0.000 0.825 317 A HN 0.684 nan 8.150 nan 0.000 0.456 318 A N -0.599 121.993 122.820 -0.379 0.000 1.845 318 A HA -0.095 4.350 4.320 0.209 0.000 0.215 318 A C 2.445 179.917 177.584 -0.188 0.000 1.195 318 A CA 2.320 54.110 52.037 -0.412 0.000 0.616 318 A CB -1.189 17.520 19.000 -0.483 0.000 0.832 318 A HN 0.581 nan 8.150 nan 0.000 0.443 319 S N 0.680 116.320 115.700 -0.100 0.000 2.380 319 S HA -0.258 4.337 4.470 0.209 0.000 0.229 319 S C 1.735 176.393 174.600 0.097 0.000 1.050 319 S CA 2.006 60.216 58.200 0.015 0.000 1.100 319 S CB -0.937 62.261 63.200 -0.004 0.000 0.984 319 S HN 0.504 nan 8.310 nan 0.000 0.434 320 L N 1.549 122.838 121.223 0.110 0.000 2.349 320 L HA -0.093 4.373 4.340 0.209 0.000 0.220 320 L C 2.392 179.444 176.870 0.304 0.000 1.130 320 L CA 1.481 56.472 54.840 0.252 0.000 0.791 320 L CB -0.823 41.461 42.059 0.374 0.000 0.918 320 L HN 0.314 nan 8.230 nan 0.000 0.444 321 E N 0.991 121.153 120.200 -0.063 0.000 2.001 321 E HA -0.277 4.198 4.350 0.209 0.000 0.193 321 E C 2.098 178.643 176.600 -0.093 0.000 0.994 321 E CA 1.413 57.498 56.400 -0.526 0.000 0.815 321 E CB -0.446 28.760 29.700 -0.823 0.000 0.770 321 E HN 0.313 nan 8.360 nan 0.000 0.453 322 F N 1.031 120.874 119.950 -0.178 0.000 2.063 322 F HA -0.334 4.317 4.527 0.207 0.000 0.298 322 F C 2.164 177.958 175.800 -0.010 0.000 1.105 322 F CA 2.283 60.231 58.000 -0.086 0.000 1.215 322 F CB -0.595 38.356 39.000 -0.082 0.000 0.972 322 F HN 0.206 nan 8.300 nan 0.000 0.483 323 A N 0.315 123.120 122.820 -0.025 0.000 1.948 323 A HA -0.146 4.299 4.320 0.209 0.000 0.220 323 A C 2.427 179.964 177.584 -0.078 0.000 1.177 323 A CA 1.935 53.897 52.037 -0.125 0.000 0.636 323 A CB -1.876 17.124 19.000 0.000 0.000 0.815 323 A HN 0.593 nan 8.150 nan 0.000 0.449 324 G N -0.437 108.425 108.800 0.105 0.000 2.453 324 G HA2 -0.231 3.854 3.960 0.209 0.000 0.215 324 G HA3 -0.231 3.854 3.960 0.209 0.000 0.215 324 G C 1.664 176.631 174.900 0.112 0.000 1.201 324 G CA 0.838 46.061 45.100 0.205 0.000 0.784 324 G HN 0.483 nan 8.290 nan 0.000 0.545 325 R N -0.125 120.426 120.500 0.084 0.000 2.143 325 R HA -0.142 4.323 4.340 0.209 0.000 0.239 325 R C 2.516 178.756 176.300 -0.100 0.000 1.126 325 R CA 1.311 57.407 56.100 -0.006 0.000 0.927 325 R CB -1.385 28.889 30.300 -0.045 0.000 0.860 325 R HN 0.315 nan 8.270 nan 0.000 0.433 326 L N 1.194 122.260 121.223 -0.262 0.000 1.957 326 L HA -0.237 4.228 4.340 0.209 0.000 0.228 326 L C 1.966 178.743 176.870 -0.155 0.000 1.086 326 L CA 2.006 56.671 54.840 -0.291 0.000 0.796 326 L CB -0.775 40.984 42.059 -0.500 0.000 0.900 326 L HN 0.281 nan 8.230 nan 0.000 0.439 327 R N -0.298 120.123 120.500 -0.131 0.000 2.858 327 R HA 0.299 4.764 4.340 0.209 0.000 0.228 327 R C 1.028 177.303 176.300 -0.041 0.000 1.471 327 R CA 0.649 56.698 56.100 -0.084 0.000 1.342 327 R CB -0.809 29.434 30.300 -0.094 0.000 1.152 327 R HN 0.537 nan 8.270 nan 0.000 0.521 328 G N -0.382 108.401 108.800 -0.029 0.000 2.481 328 G HA2 -0.230 3.855 3.960 0.209 0.000 0.200 328 G HA3 -0.230 3.855 3.960 0.209 0.000 0.200 328 G C 0.604 175.523 174.900 0.032 0.000 1.012 328 G CA -0.601 44.499 45.100 -0.001 0.000 0.676 328 G HN 0.638 nan 8.290 nan 0.000 0.488 329 G N 0.482 109.323 108.800 0.067 0.000 2.241 329 G HA2 0.345 4.430 3.960 0.209 0.000 0.235 329 G HA3 0.345 4.430 3.960 0.209 0.000 0.235 329 G C 0.738 175.719 174.900 0.134 0.000 1.127 329 G CA 1.343 46.531 45.100 0.147 0.000 0.867 329 G HN 0.817 nan 8.290 nan 0.000 0.473 330 R N 1.877 122.468 120.500 0.152 0.000 3.275 330 R HA 0.314 4.779 4.340 0.209 0.000 0.154 330 R C 1.583 177.947 176.300 0.108 0.000 0.843 330 R CA 0.420 56.581 56.100 0.102 0.000 1.027 330 R CB -0.561 29.779 30.300 0.066 0.000 1.423 330 R HN 0.694 nan 8.270 nan 0.000 0.530 331 G N 0.831 109.702 108.800 0.119 0.000 2.532 331 G HA2 0.290 4.375 3.960 0.209 0.000 0.291 331 G HA3 0.290 4.375 3.960 0.209 0.000 0.291 331 G C 0.674 175.646 174.900 0.119 0.000 1.349 331 G CA -0.413 44.735 45.100 0.079 0.000 1.038 331 G HN 0.155 nan 8.290 nan 0.000 0.518 332 L N -1.431 119.757 121.223 -0.059 0.000 2.103 332 L HA -0.102 4.363 4.340 0.209 0.000 0.215 332 L C 1.645 178.437 176.870 -0.130 0.000 1.080 332 L CA 2.142 56.838 54.840 -0.240 0.000 0.764 332 L CB -0.252 41.444 42.059 -0.605 0.000 0.890 332 L HN 0.404 nan 8.230 nan 0.000 0.435 333 F N -1.588 118.515 119.950 0.255 0.000 2.746 333 F HA 0.427 5.079 4.527 0.208 0.000 0.320 333 F C 2.085 177.758 175.800 -0.211 0.000 1.097 333 F CA -0.191 57.814 58.000 0.008 0.000 1.195 333 F CB -1.179 37.793 39.000 -0.046 0.000 1.056 333 F HN -0.018 nan 8.300 nan 0.000 0.562 334 G N 2.419 111.322 108.800 0.172 0.000 2.721 334 G HA2 -0.338 3.747 3.960 0.209 0.000 0.218 334 G HA3 -0.338 3.747 3.960 0.209 0.000 0.218 334 G C 1.542 176.486 174.900 0.074 0.000 1.265 334 G CA 1.383 46.560 45.100 0.128 0.000 0.796 334 G HN 0.545 nan 8.290 nan 0.000 0.620 335 W N 1.216 122.572 121.300 0.093 0.000 2.273 335 W HA -0.241 4.544 4.660 0.208 0.000 0.282 335 W C 1.803 178.402 176.519 0.134 0.000 1.199 335 W CA 1.353 58.749 57.345 0.085 0.000 1.177 335 W CB -1.256 28.248 29.460 0.073 0.000 1.133 335 W HN 0.359 nan 8.180 nan 0.000 0.562 336 I N 0.677 120.948 120.570 -0.498 0.000 2.235 336 I HA -0.164 4.131 4.170 0.209 0.000 0.241 336 I C 2.781 178.980 176.117 0.138 0.000 1.085 336 I CA 1.636 62.750 61.300 -0.311 0.000 1.378 336 I CB -0.831 36.898 38.000 -0.452 0.000 1.076 336 I HN -0.137 nan 8.210 nan 0.000 0.415 337 R N 1.931 122.477 120.500 0.077 0.000 2.193 337 R HA -0.067 4.398 4.340 0.209 0.000 0.229 337 R C 2.147 178.563 176.300 0.193 0.000 1.110 337 R CA 1.325 57.526 56.100 0.170 0.000 0.988 337 R CB -0.513 29.817 30.300 0.050 0.000 0.871 337 R HN 0.373 nan 8.270 nan 0.000 0.458 338 A N 0.558 123.442 122.820 0.105 0.000 1.986 338 A HA -0.077 4.368 4.320 0.209 0.000 0.220 338 A C 0.570 178.134 177.584 -0.032 0.000 1.171 338 A CA 0.843 52.910 52.037 0.049 0.000 0.640 338 A CB -0.466 18.573 19.000 0.065 0.000 0.811 338 A HN 0.192 nan 8.150 nan 0.000 0.451 339 L N -0.463 120.719 121.223 -0.069 0.000 2.439 339 L HA 0.186 4.651 4.340 0.209 0.000 0.269 339 L C -1.564 174.901 176.870 -0.674 0.000 1.179 339 L CA -1.815 52.764 54.840 -0.436 0.000 0.828 339 L CB -0.257 41.501 42.059 -0.501 0.000 1.106 339 L HN 0.048 nan 8.230 nan 0.000 0.467 340 P HA -0.222 nan 4.420 nan 0.000 0.234 340 P C 1.005 178.043 177.300 -0.437 0.000 1.159 340 P CA 0.896 63.576 63.100 -0.699 0.000 0.775 340 P CB -0.371 30.757 31.700 -0.953 0.000 0.825 341 W N 0.777 122.054 121.300 -0.039 0.000 2.273 341 W HA -0.243 4.543 4.660 0.211 0.000 0.282 341 W C 1.311 177.942 176.519 0.186 0.000 1.199 341 W CA 1.651 59.100 57.345 0.174 0.000 1.177 341 W CB -1.241 28.313 29.460 0.155 0.000 1.133 341 W HN 0.298 nan 8.180 nan 0.000 0.562 342 D N -2.402 118.138 120.400 0.233 0.000 2.369 342 D HA 0.016 4.781 4.640 0.209 0.000 0.211 342 D C 0.132 176.495 176.300 0.105 0.000 1.077 342 D CA -0.165 53.939 54.000 0.174 0.000 0.842 342 D CB -0.224 40.642 40.800 0.109 0.000 0.947 342 D HN -0.013 nan 8.370 nan 0.000 0.509 343 N N 0.288 119.039 118.700 0.085 0.000 2.443 343 N HA 0.279 5.144 4.740 0.209 0.000 0.269 343 N C -2.206 173.353 175.510 0.083 0.000 0.985 343 N CA -2.228 50.856 53.050 0.058 0.000 0.921 343 N CB 2.320 40.824 38.487 0.029 0.000 1.195 343 N HN -0.324 nan 8.380 nan 0.000 0.492 344 P HA -0.114 nan 4.420 nan 0.000 0.214 344 P C 1.017 178.316 177.300 -0.001 0.000 1.163 344 P CA 1.992 65.001 63.100 -0.152 0.000 0.883 344 P CB 0.056 31.372 31.700 -0.639 0.000 0.788 345 A N -1.407 121.496 122.820 0.140 0.000 2.016 345 A HA -0.292 4.153 4.320 0.209 0.000 0.225 345 A C 2.101 179.851 177.584 0.277 0.000 1.230 345 A CA 2.538 54.806 52.037 0.384 0.000 0.678 345 A CB -1.859 17.460 19.000 0.532 0.000 0.826 345 A HN 0.315 nan 8.150 nan 0.000 0.484 346 F N -1.049 118.902 119.950 0.001 0.000 2.419 346 F HA 0.129 4.780 4.527 0.207 0.000 0.283 346 F C 2.122 177.818 175.800 -0.174 0.000 1.044 346 F CA 1.064 59.002 58.000 -0.103 0.000 1.376 346 F CB -0.208 38.669 39.000 -0.204 0.000 1.131 346 F HN -0.029 nan 8.300 nan 0.000 0.585 347 V N 1.660 121.497 119.914 -0.128 0.000 2.231 347 V HA -0.344 3.901 4.120 0.209 0.000 0.248 347 V C 2.837 178.682 176.094 -0.415 0.000 1.054 347 V CA 2.203 64.334 62.300 -0.280 0.000 1.015 347 V CB -1.765 30.097 31.823 0.065 0.000 0.638 347 V HN 0.509 nan 8.190 nan 0.000 0.444 348 A N 1.279 123.936 122.820 -0.272 0.000 1.894 348 A HA -0.237 4.208 4.320 0.209 0.000 0.220 348 A C 0.801 178.246 177.584 -0.232 0.000 1.237 348 A CA 2.791 54.683 52.037 -0.241 0.000 0.660 348 A CB -2.312 16.600 19.000 -0.146 0.000 0.835 348 A HN 0.600 nan 8.150 nan 0.000 0.461 349 P HA -0.074 nan 4.420 nan 0.000 0.220 349 P C 1.518 178.686 177.300 -0.220 0.000 1.148 349 P CA 1.603 64.606 63.100 -0.161 0.000 0.803 349 P CB -0.239 31.396 31.700 -0.107 0.000 0.782 350 V N 0.030 119.702 119.914 -0.403 0.000 2.346 350 V HA -0.193 4.052 4.120 0.209 0.000 0.244 350 V C 2.781 178.743 176.094 -0.220 0.000 1.037 350 V CA 1.323 63.402 62.300 -0.368 0.000 1.029 350 V CB -1.441 29.960 31.823 -0.704 0.000 0.663 350 V HN -0.052 nan 8.190 nan 0.000 0.454 351 L N 1.295 122.304 121.223 -0.357 0.000 1.997 351 L HA -0.196 4.269 4.340 0.209 0.000 0.216 351 L C 2.735 179.581 176.870 -0.041 0.000 1.074 351 L CA 2.325 56.822 54.840 -0.570 0.000 0.763 351 L CB -1.544 39.864 42.059 -1.086 0.000 0.890 351 L HN 0.435 nan 8.230 nan 0.000 0.434 352 G N -0.117 108.699 108.800 0.027 0.000 2.505 352 G HA2 -0.280 3.806 3.960 0.209 0.000 0.220 352 G HA3 -0.280 3.806 3.960 0.209 0.000 0.220 352 G C 1.625 176.648 174.900 0.205 0.000 1.145 352 G CA 1.316 46.516 45.100 0.166 0.000 0.761 352 G HN 0.294 nan 8.290 nan 0.000 0.571 353 L N 0.011 121.292 121.223 0.097 0.000 2.017 353 L HA -0.059 4.406 4.340 0.209 0.000 0.208 353 L C 2.834 179.862 176.870 0.264 0.000 1.073 353 L CA 0.495 55.420 54.840 0.142 0.000 0.745 353 L CB -0.394 41.694 42.059 0.049 0.000 0.894 353 L HN 0.118 nan 8.230 nan 0.000 0.432 354 L N -0.471 120.881 121.223 0.215 0.000 1.988 354 L HA -0.077 4.388 4.340 0.209 0.000 0.207 354 L C 2.697 179.752 176.870 0.308 0.000 1.071 354 L CA 1.983 56.968 54.840 0.241 0.000 0.744 354 L CB -2.505 39.670 42.059 0.194 0.000 0.893 354 L HN 0.320 nan 8.230 nan 0.000 0.433 355 G N 0.259 109.322 108.800 0.437 0.000 2.833 355 G HA2 -0.427 3.659 3.960 0.209 0.000 0.226 355 G HA3 -0.427 3.659 3.960 0.209 0.000 0.226 355 G C 1.592 176.630 174.900 0.230 0.000 1.228 355 G CA 1.485 46.749 45.100 0.275 0.000 0.779 355 G HN 0.310 nan 8.290 nan 0.000 0.651 356 F N 1.071 121.103 119.950 0.136 0.000 2.076 356 F HA -0.287 4.366 4.527 0.210 0.000 0.294 356 F C 2.622 178.504 175.800 0.136 0.000 1.078 356 F CA 2.110 60.188 58.000 0.129 0.000 1.247 356 F CB -0.399 38.692 39.000 0.151 0.000 0.984 356 F HN 0.185 nan 8.300 nan 0.000 0.491 357 I N 0.370 121.125 120.570 0.307 0.000 2.068 357 I HA -0.356 3.939 4.170 0.209 0.000 0.238 357 I C -0.418 175.741 176.117 0.070 0.000 1.046 357 I CA 2.391 63.806 61.300 0.192 0.000 1.306 357 I CB -1.816 36.291 38.000 0.177 0.000 1.023 357 I HN 0.113 nan 8.210 nan 0.000 0.399 358 P HA -0.201 nan 4.420 nan 0.000 0.215 358 P C 1.668 178.932 177.300 -0.060 0.000 1.163 358 P CA 2.377 65.448 63.100 -0.049 0.000 0.894 358 P CB -0.498 31.127 31.700 -0.124 0.000 0.791 359 G N -0.322 108.431 108.800 -0.079 0.000 2.450 359 G HA2 -0.221 3.864 3.960 0.209 0.000 0.220 359 G HA3 -0.221 3.864 3.960 0.209 0.000 0.220 359 G C 1.835 176.710 174.900 -0.042 0.000 1.130 359 G CA 1.089 46.157 45.100 -0.055 0.000 0.760 359 G HN 0.414 nan 8.290 nan 0.000 0.557 360 G N 1.335 110.027 108.800 -0.181 0.000 2.552 360 G HA2 -0.026 4.059 3.960 0.209 0.000 0.216 360 G HA3 -0.026 4.059 3.960 0.209 0.000 0.216 360 G C 2.091 177.006 174.900 0.025 0.000 1.240 360 G CA 1.743 46.797 45.100 -0.076 0.000 0.796 360 G HN 0.725 nan 8.290 nan 0.000 0.568 361 A N 0.574 123.418 122.820 0.041 0.000 2.148 361 A HA 0.058 4.503 4.320 0.209 0.000 0.222 361 A C 2.534 180.161 177.584 0.071 0.000 1.161 361 A CA 2.300 54.373 52.037 0.060 0.000 0.662 361 A CB -0.845 18.192 19.000 0.061 0.000 0.799 361 A HN 0.630 nan 8.150 nan 0.000 0.466 362 G N -0.818 108.000 108.800 0.029 0.000 2.404 362 G HA2 0.152 4.237 3.960 0.209 0.000 0.213 362 G HA3 0.152 4.237 3.960 0.209 0.000 0.213 362 G C 1.590 176.395 174.900 -0.159 0.000 1.189 362 G CA 0.978 46.086 45.100 0.013 0.000 0.796 362 G HN 0.707 nan 8.290 nan 0.000 0.532 363 G N 1.259 109.841 108.800 -0.364 0.000 2.624 363 G HA2 -0.317 3.768 3.960 0.209 0.000 0.221 363 G HA3 -0.317 3.768 3.960 0.209 0.000 0.221 363 G C 1.739 176.563 174.900 -0.126 0.000 1.169 363 G CA 1.267 46.144 45.100 -0.372 0.000 0.771 363 G HN 0.385 nan 8.290 nan 0.000 0.598 364 I N 0.134 120.699 120.570 -0.008 0.000 2.072 364 I HA -0.180 4.116 4.170 0.209 0.000 0.235 364 I C 2.887 179.031 176.117 0.045 0.000 1.058 364 I CA 1.161 62.484 61.300 0.038 0.000 1.320 364 I CB -0.572 37.468 38.000 0.066 0.000 1.047 364 I HN 0.109 nan 8.210 nan 0.000 0.397 365 V N 1.194 121.149 119.914 0.068 0.000 2.240 365 V HA -0.471 3.774 4.120 0.209 0.000 0.257 365 V C 2.151 178.283 176.094 0.064 0.000 1.067 365 V CA 2.552 64.895 62.300 0.072 0.000 1.067 365 V CB -1.357 30.545 31.823 0.133 0.000 0.683 365 V HN 0.514 nan 8.190 nan 0.000 0.461 366 N N 0.260 118.998 118.700 0.065 0.000 2.251 366 N HA -0.232 4.633 4.740 0.209 0.000 0.196 366 N C 1.396 176.940 175.510 0.057 0.000 0.993 366 N CA 2.023 55.090 53.050 0.028 0.000 0.896 366 N CB -0.453 37.961 38.487 -0.120 0.000 0.994 366 N HN 0.701 nan 8.380 nan 0.000 0.452 367 A N -1.004 121.859 122.820 0.073 0.000 2.288 367 A HA 0.198 4.643 4.320 0.209 0.000 0.216 367 A C 1.128 178.916 177.584 0.339 0.000 1.199 367 A CA -0.163 51.991 52.037 0.194 0.000 0.891 367 A CB 0.204 19.233 19.000 0.049 0.000 0.923 367 A HN 0.136 nan 8.150 nan 0.000 0.500 368 S N 0.390 116.195 115.700 0.176 0.000 3.227 368 S HA 0.306 4.901 4.470 0.209 0.000 0.249 368 S C 0.477 175.100 174.600 0.038 0.000 1.322 368 S CA -0.135 58.123 58.200 0.097 0.000 1.253 368 S CB -1.415 61.812 63.200 0.045 0.000 1.076 368 S HN 0.554 nan 8.310 nan 0.000 0.471 369 F N 1.500 121.220 119.950 -0.383 0.000 2.478 369 F HA -0.494 4.159 4.527 0.209 0.000 0.218 369 F C 2.297 177.601 175.800 -0.826 0.000 1.459 369 F CA 1.976 59.262 58.000 -1.191 0.000 2.000 369 F CB -1.458 37.088 39.000 -0.757 0.000 0.456 369 F HN 0.443 nan 8.300 nan 0.000 0.231 370 T N 0.506 114.690 114.554 -0.617 0.000 2.822 370 T HA -0.191 4.284 4.350 0.209 0.000 0.270 370 T C 1.435 176.016 174.700 -0.198 0.000 1.064 370 T CA 1.786 63.635 62.100 -0.418 0.000 1.131 370 T CB -0.603 68.138 68.868 -0.212 0.000 0.858 370 T HN 0.431 nan 8.240 nan 0.000 0.483 371 L N 1.500 122.620 121.223 -0.172 0.000 2.083 371 L HA -0.025 4.440 4.340 0.209 0.000 0.209 371 L C 2.538 179.319 176.870 -0.149 0.000 1.083 371 L CA 1.634 56.406 54.840 -0.114 0.000 0.752 371 L CB -0.616 41.400 42.059 -0.072 0.000 0.899 371 L HN 0.231 nan 8.230 nan 0.000 0.433 372 D N -1.188 119.098 120.400 -0.192 0.000 2.265 372 D HA -0.253 4.513 4.640 0.209 0.000 0.208 372 D C 1.999 178.187 176.300 -0.187 0.000 0.977 372 D CA 1.240 55.157 54.000 -0.139 0.000 0.871 372 D CB -0.059 40.749 40.800 0.013 0.000 0.925 372 D HN 0.418 nan 8.370 nan 0.000 0.485 373 Y N -0.698 119.570 120.300 -0.054 0.000 2.256 373 Y HA -0.149 4.526 4.550 0.209 0.000 0.288 373 Y C 2.428 178.298 175.900 -0.050 0.000 1.155 373 Y CA 0.505 58.571 58.100 -0.056 0.000 1.203 373 Y CB -0.089 38.297 38.460 -0.125 0.000 0.980 373 Y HN -0.053 nan 8.280 nan 0.000 0.530 374 V N -0.519 119.413 119.914 0.030 0.000 2.970 374 V HA -0.173 4.072 4.120 0.209 0.000 0.260 374 V C 1.765 177.772 176.094 -0.144 0.000 1.100 374 V CA 1.625 63.886 62.300 -0.065 0.000 1.122 374 V CB -0.089 31.654 31.823 -0.133 0.000 0.721 374 V HN 0.492 nan 8.190 nan 0.000 0.483 375 V N -3.596 116.227 119.914 -0.152 0.000 3.539 375 V HA 0.325 4.570 4.120 0.209 0.000 0.262 375 V C 1.152 177.268 176.094 0.036 0.000 1.381 375 V CA -0.013 62.183 62.300 -0.173 0.000 1.060 375 V CB -0.705 30.813 31.823 -0.509 0.000 0.842 375 V HN 0.508 nan 8.190 nan 0.000 0.445 376 H N 3.679 122.752 119.070 0.006 0.000 3.267 376 H HA 0.103 4.784 4.556 0.208 0.000 0.239 376 H C 0.638 176.025 175.328 0.099 0.000 0.836 376 H CA 1.500 57.589 56.048 0.069 0.000 1.388 376 H CB -0.883 28.913 29.762 0.056 0.000 1.505 376 H HN 0.607 nan 8.280 nan 0.000 0.510 377 N N 1.917 120.475 118.700 -0.236 0.000 3.057 377 N HA -0.161 4.704 4.740 0.209 0.000 0.246 377 N C -0.524 174.972 175.510 -0.023 0.000 1.093 377 N CA 1.098 54.031 53.050 -0.196 0.000 0.818 377 N CB -1.466 36.815 38.487 -0.344 0.000 1.115 377 N HN 0.814 nan 8.380 nan 0.000 0.545 378 T N -4.286 110.290 114.554 0.037 0.000 2.923 378 T HA 0.783 5.259 4.350 0.209 0.000 0.281 378 T C 1.640 176.378 174.700 0.063 0.000 0.995 378 T CA -0.031 62.102 62.100 0.056 0.000 0.985 378 T CB 1.618 70.527 68.868 0.068 0.000 1.114 378 T HN 0.118 nan 8.240 nan 0.000 0.548 379 A N -0.069 122.759 122.820 0.012 0.000 2.054 379 A HA -0.138 4.307 4.320 0.209 0.000 0.223 379 A C 1.991 179.486 177.584 -0.148 0.000 1.169 379 A CA 1.815 53.779 52.037 -0.121 0.000 0.655 379 A CB -1.687 17.246 19.000 -0.112 0.000 0.812 379 A HN 0.904 nan 8.150 nan 0.000 0.462 380 W N 0.509 121.667 121.300 -0.237 0.000 2.284 380 W HA -0.356 4.430 4.660 0.209 0.000 0.337 380 W C 1.995 178.299 176.519 -0.359 0.000 1.322 380 W CA 2.845 60.004 57.345 -0.310 0.000 1.245 380 W CB -0.664 28.706 29.460 -0.150 0.000 1.141 380 W HN 0.265 nan 8.180 nan 0.000 0.465 381 V N 2.133 122.048 119.914 0.002 0.000 2.219 381 V HA -0.285 3.960 4.120 0.209 0.000 0.248 381 V C -0.397 175.438 176.094 -0.431 0.000 1.053 381 V CA 3.002 65.306 62.300 0.008 0.000 1.009 381 V CB -2.617 29.376 31.823 0.282 0.000 0.636 381 V HN 0.082 nan 8.190 nan 0.000 0.445 382 P HA -0.180 nan 4.420 nan 0.000 0.217 382 P C 1.653 178.285 177.300 -1.113 0.000 1.148 382 P CA 2.148 64.417 63.100 -1.384 0.000 0.834 382 P CB -0.411 30.927 31.700 -0.603 0.000 0.783 383 G N 0.307 108.607 108.800 -0.833 0.000 2.771 383 G HA2 -0.346 3.740 3.960 0.209 0.000 0.214 383 G HA3 -0.346 3.740 3.960 0.209 0.000 0.214 383 G C 1.408 175.977 174.900 -0.551 0.000 1.331 383 G CA 1.753 46.408 45.100 -0.741 0.000 0.812 383 G HN 0.270 nan 8.290 nan 0.000 0.628 384 H N 1.558 120.203 119.070 -0.708 0.000 2.294 384 H HA -0.309 4.372 4.556 0.209 0.000 0.282 384 H C 2.170 177.409 175.328 -0.148 0.000 1.128 384 H CA 3.140 58.979 56.048 -0.348 0.000 1.161 384 H CB -1.001 28.598 29.762 -0.272 0.000 1.354 384 H HN 0.503 nan 8.280 nan 0.000 0.474 385 F N -2.049 117.715 119.950 -0.309 0.000 2.270 385 F HA 0.135 4.787 4.527 0.209 0.000 0.295 385 F C 2.484 178.156 175.800 -0.212 0.000 1.087 385 F CA 0.943 58.712 58.000 -0.384 0.000 1.365 385 F CB -1.294 37.597 39.000 -0.183 0.000 1.056 385 F HN 0.158 nan 8.300 nan 0.000 0.506 386 H N 0.913 119.878 119.070 -0.175 0.000 2.362 386 H HA -0.184 4.498 4.556 0.209 0.000 0.294 386 H C 2.249 177.513 175.328 -0.106 0.000 1.113 386 H CA 2.423 58.398 56.048 -0.122 0.000 1.253 386 H CB -0.568 29.029 29.762 -0.275 0.000 1.363 386 H HN 0.340 nan 8.280 nan 0.000 0.494 387 L N -0.418 120.776 121.223 -0.049 0.000 2.141 387 L HA -0.193 4.272 4.340 0.209 0.000 0.209 387 L C 1.926 178.796 176.870 -0.001 0.000 1.094 387 L CA 0.915 55.729 54.840 -0.044 0.000 0.763 387 L CB -0.011 42.008 42.059 -0.065 0.000 0.908 387 L HN 0.333 nan 8.230 nan 0.000 0.437 388 Q N -1.186 118.582 119.800 -0.054 0.000 1.865 388 Q HA -0.084 4.382 4.340 0.209 0.000 0.268 388 Q C 1.948 178.027 176.000 0.131 0.000 0.961 388 Q CA 1.182 56.979 55.803 -0.010 0.000 0.870 388 Q CB -1.046 27.581 28.738 -0.186 0.000 0.929 388 Q HN 0.211 nan 8.270 nan 0.000 0.450 389 V N 1.233 121.198 119.914 0.085 0.000 2.332 389 V HA -0.256 3.990 4.120 0.209 0.000 0.248 389 V C 1.967 178.032 176.094 -0.048 0.000 1.055 389 V CA 2.597 64.923 62.300 0.043 0.000 1.038 389 V CB -0.820 30.988 31.823 -0.023 0.000 0.651 389 V HN 0.455 nan 8.190 nan 0.000 0.450 390 A N -0.150 122.622 122.820 -0.080 0.000 1.872 390 A HA -0.106 4.339 4.320 0.209 0.000 0.214 390 A C 2.520 180.167 177.584 0.104 0.000 1.187 390 A CA 2.262 54.243 52.037 -0.093 0.000 0.614 390 A CB -0.919 17.911 19.000 -0.284 0.000 0.826 390 A HN 0.810 nan 8.150 nan 0.000 0.442 391 S N -0.461 115.317 115.700 0.129 0.000 2.310 391 S HA -0.073 4.522 4.470 0.209 0.000 0.201 391 S C 1.852 176.576 174.600 0.207 0.000 1.032 391 S CA 1.225 59.577 58.200 0.253 0.000 0.993 391 S CB -0.999 62.318 63.200 0.196 0.000 0.970 391 S HN 0.349 nan 8.310 nan 0.000 0.446 392 L N 2.207 123.559 121.223 0.215 0.000 1.978 392 L HA -0.135 4.330 4.340 0.209 0.000 0.235 392 L C 2.659 179.545 176.870 0.026 0.000 1.094 392 L CA 2.245 57.174 54.840 0.148 0.000 0.814 392 L CB -1.476 40.715 42.059 0.220 0.000 0.911 392 L HN 0.396 nan 8.230 nan 0.000 0.442 393 V N -0.983 118.933 119.914 0.003 0.000 2.219 393 V HA -0.393 3.852 4.120 0.209 0.000 0.248 393 V C 2.457 178.431 176.094 -0.201 0.000 1.053 393 V CA 2.535 64.770 62.300 -0.108 0.000 1.009 393 V CB -1.272 30.490 31.823 -0.102 0.000 0.636 393 V HN 0.619 nan 8.190 nan 0.000 0.445 394 T N 0.335 114.819 114.554 -0.116 0.000 2.624 394 T HA -0.245 4.230 4.350 0.209 0.000 0.268 394 T C 1.840 176.432 174.700 -0.180 0.000 1.041 394 T CA 2.237 64.261 62.100 -0.126 0.000 1.159 394 T CB -0.441 68.361 68.868 -0.109 0.000 0.863 394 T HN 0.314 nan 8.240 nan 0.000 0.434 395 L N 0.513 121.676 121.223 -0.100 0.000 2.042 395 L HA -0.144 4.321 4.340 0.209 0.000 0.210 395 L C 2.903 179.713 176.870 -0.100 0.000 1.076 395 L CA 1.482 56.239 54.840 -0.139 0.000 0.749 395 L CB -1.153 40.882 42.059 -0.039 0.000 0.893 395 L HN 0.307 nan 8.230 nan 0.000 0.432 396 T N -0.136 114.377 114.554 -0.069 0.000 2.759 396 T HA -0.220 4.255 4.350 0.209 0.000 0.269 396 T C 1.965 176.680 174.700 0.026 0.000 1.042 396 T CA 1.331 63.427 62.100 -0.007 0.000 1.140 396 T CB -0.320 68.559 68.868 0.018 0.000 0.864 396 T HN 0.474 nan 8.240 nan 0.000 0.455 397 A N 1.493 124.196 122.820 -0.196 0.000 1.825 397 A HA -0.005 4.441 4.320 0.209 0.000 0.214 397 A C 2.338 180.041 177.584 0.198 0.000 1.206 397 A CA 1.675 53.585 52.037 -0.211 0.000 0.609 397 A CB -0.984 17.541 19.000 -0.791 0.000 0.851 397 A HN 0.391 nan 8.150 nan 0.000 0.445 398 M N -0.476 119.215 119.600 0.152 0.000 2.152 398 M HA -0.296 4.310 4.480 0.209 0.000 0.251 398 M C 2.047 178.461 176.300 0.189 0.000 1.080 398 M CA 2.084 57.499 55.300 0.193 0.000 1.079 398 M CB -0.587 31.941 32.600 -0.120 0.000 1.317 398 M HN 0.561 nan 8.290 nan 0.000 0.404 399 G N -2.175 106.694 108.800 0.115 0.000 2.443 399 G HA2 -0.143 3.942 3.960 0.209 0.000 0.219 399 G HA3 -0.143 3.942 3.960 0.209 0.000 0.219 399 G C 1.385 176.402 174.900 0.194 0.000 1.131 399 G CA 1.126 46.319 45.100 0.155 0.000 0.775 399 G HN 0.500 nan 8.290 nan 0.000 0.547 400 S N -0.093 115.653 115.700 0.077 0.000 2.575 400 S HA 0.145 4.740 4.470 0.209 0.000 0.215 400 S C 1.911 176.092 174.600 -0.699 0.000 0.966 400 S CA -0.434 57.539 58.200 -0.378 0.000 0.911 400 S CB 0.177 63.379 63.200 0.003 0.000 0.780 400 S HN 0.189 nan 8.310 nan 0.000 0.514 401 L N 0.920 122.021 121.223 -0.204 0.000 2.034 401 L HA -0.147 4.318 4.340 0.209 0.000 0.217 401 L C 0.875 177.523 176.870 -0.370 0.000 1.077 401 L CA 1.846 56.530 54.840 -0.261 0.000 0.769 401 L CB -0.544 41.436 42.059 -0.131 0.000 0.890 401 L HN 0.407 nan 8.230 nan 0.000 0.435 402 Y N -0.789 119.393 120.300 -0.197 0.000 2.740 402 Y HA -0.022 4.654 4.550 0.209 0.000 0.356 402 Y C 0.804 176.799 175.900 0.159 0.000 1.101 402 Y CA 0.140 58.236 58.100 -0.007 0.000 1.477 402 Y CB -0.348 38.166 38.460 0.090 0.000 1.296 402 Y HN 0.426 nan 8.280 nan 0.000 0.507 403 W N -4.855 116.505 121.300 0.100 0.000 2.633 403 W HA 0.053 4.834 4.660 0.202 0.000 0.150 403 W C 0.004 176.546 176.519 0.038 0.000 0.754 403 W CA -0.202 57.183 57.345 0.066 0.000 1.141 403 W CB -0.744 28.758 29.460 0.070 0.000 0.585 403 W HN -0.024 nan 8.180 nan 0.000 0.778 404 L N 1.780 122.709 121.223 -0.491 0.000 2.610 404 L HA 0.151 4.616 4.340 0.209 0.000 0.232 404 L C 1.849 178.589 176.870 -0.218 0.000 1.149 404 L CA 0.963 55.582 54.840 -0.368 0.000 0.872 404 L CB -0.584 40.993 42.059 -0.803 0.000 0.992 404 L HN -0.032 nan 8.230 nan 0.000 0.447 405 L N -0.406 120.682 121.223 -0.225 0.000 2.208 405 L HA 0.166 4.631 4.340 0.209 0.000 0.196 405 L C -0.469 176.335 176.870 -0.110 0.000 1.130 405 L CA 1.241 55.960 54.840 -0.201 0.000 0.791 405 L CB -1.683 40.209 42.059 -0.279 0.000 0.969 405 L HN -0.001 nan 8.230 nan 0.000 0.468 406 P HA -0.284 nan 4.420 nan 0.000 0.225 406 P C 1.351 178.664 177.300 0.021 0.000 1.154 406 P CA 1.984 65.077 63.100 -0.011 0.000 0.933 406 P CB -0.201 31.526 31.700 0.044 0.000 0.790 407 N N -0.947 117.800 118.700 0.078 0.000 2.069 407 N HA -0.140 4.725 4.740 0.209 0.000 0.191 407 N C 1.684 177.230 175.510 0.060 0.000 1.031 407 N CA 1.320 54.446 53.050 0.127 0.000 0.852 407 N CB -0.581 38.056 38.487 0.251 0.000 1.018 407 N HN 0.036 nan 8.380 nan 0.000 0.423 408 L N 0.639 121.846 121.223 -0.028 0.000 2.072 408 L HA -0.072 4.393 4.340 0.209 0.000 0.205 408 L C 2.207 179.012 176.870 -0.110 0.000 1.079 408 L CA 1.761 56.518 54.840 -0.137 0.000 0.752 408 L CB -1.377 40.544 42.059 -0.231 0.000 0.906 408 L HN 0.366 nan 8.230 nan 0.000 0.436 409 T N -4.281 110.212 114.554 -0.102 0.000 3.057 409 T HA 0.165 4.640 4.350 0.209 0.000 0.254 409 T C 1.641 176.300 174.700 -0.068 0.000 1.094 409 T CA 0.660 62.700 62.100 -0.099 0.000 1.088 409 T CB 0.349 69.139 68.868 -0.130 0.000 0.934 409 T HN 0.401 nan 8.240 nan 0.000 0.497 410 G N 1.999 110.774 108.800 -0.042 0.000 2.322 410 G HA2 -0.347 3.738 3.960 0.209 0.000 0.264 410 G HA3 -0.347 3.738 3.960 0.209 0.000 0.264 410 G C 0.211 175.089 174.900 -0.037 0.000 0.992 410 G CA 0.573 45.656 45.100 -0.029 0.000 0.624 410 G HN 0.623 nan 8.290 nan 0.000 0.543 411 K N 1.836 122.201 120.400 -0.059 0.000 2.412 411 K HA 0.357 4.802 4.320 0.209 0.000 0.281 411 K C -2.437 174.129 176.600 -0.057 0.000 1.027 411 K CA -0.905 55.343 56.287 -0.065 0.000 0.989 411 K CB 1.069 33.512 32.500 -0.095 0.000 0.935 411 K HN 0.197 nan 8.250 nan 0.000 0.475 412 P HA 0.281 nan 4.420 nan 0.000 0.303 412 P C -0.708 176.585 177.300 -0.012 0.000 1.350 412 P CA -0.787 62.306 63.100 -0.012 0.000 0.880 412 P CB 0.768 32.471 31.700 0.005 0.000 1.018 413 I N 2.117 122.693 120.570 0.009 0.000 2.517 413 I HA 0.079 4.375 4.170 0.209 0.000 0.285 413 I C 1.272 177.438 176.117 0.080 0.000 1.106 413 I CA 0.743 62.066 61.300 0.038 0.000 1.402 413 I CB -0.049 38.010 38.000 0.099 0.000 1.399 413 I HN 0.343 nan 8.210 nan 0.000 0.535 414 S N 3.582 119.320 115.700 0.065 0.000 2.601 414 S HA 0.137 4.732 4.470 0.209 0.000 0.271 414 S C 0.984 175.642 174.600 0.096 0.000 1.305 414 S CA -0.591 57.649 58.200 0.066 0.000 1.022 414 S CB 1.019 64.245 63.200 0.043 0.000 0.940 414 S HN 0.671 nan 8.310 nan 0.000 0.525 415 D N 2.200 122.647 120.400 0.079 0.000 2.265 415 D HA -0.090 4.675 4.640 0.209 0.000 0.208 415 D C 1.983 178.336 176.300 0.088 0.000 0.977 415 D CA 1.500 55.549 54.000 0.081 0.000 0.871 415 D CB -0.572 40.264 40.800 0.060 0.000 0.925 415 D HN 0.711 nan 8.370 nan 0.000 0.485 416 A N 0.185 123.056 122.820 0.085 0.000 1.870 416 A HA -0.317 4.128 4.320 0.209 0.000 0.219 416 A C 2.058 179.716 177.584 0.123 0.000 1.224 416 A CA 2.741 54.834 52.037 0.094 0.000 0.650 416 A CB -0.743 18.308 19.000 0.085 0.000 0.836 416 A HN 0.403 nan 8.150 nan 0.000 0.454 417 Q N -2.053 117.837 119.800 0.150 0.000 2.378 417 Q HA 0.243 4.708 4.340 0.209 0.000 0.216 417 Q C 1.984 178.143 176.000 0.266 0.000 0.892 417 Q CA 0.158 56.085 55.803 0.205 0.000 0.931 417 Q CB 0.003 28.858 28.738 0.196 0.000 1.086 417 Q HN 0.487 nan 8.270 nan 0.000 0.528 418 R N 1.256 121.910 120.500 0.256 0.000 2.112 418 R HA -0.097 4.368 4.340 0.209 0.000 0.242 418 R C 1.942 178.272 176.300 0.049 0.000 1.137 418 R CA 1.594 57.782 56.100 0.147 0.000 0.944 418 R CB -0.072 30.316 30.300 0.146 0.000 0.857 418 R HN 0.242 nan 8.270 nan 0.000 0.435 419 R N 0.380 120.931 120.500 0.085 0.000 2.120 419 R HA -0.147 4.318 4.340 0.209 0.000 0.234 419 R C 2.318 178.674 176.300 0.093 0.000 1.123 419 R CA 1.099 57.246 56.100 0.079 0.000 0.975 419 R CB -0.388 29.956 30.300 0.073 0.000 0.866 419 R HN 0.194 nan 8.270 nan 0.000 0.446 420 L N -0.110 121.184 121.223 0.117 0.000 2.095 420 L HA 0.096 4.561 4.340 0.209 0.000 0.204 420 L C 2.103 179.061 176.870 0.147 0.000 1.080 420 L CA 2.043 56.966 54.840 0.138 0.000 0.759 420 L CB -1.008 41.151 42.059 0.167 0.000 0.914 420 L HN 0.098 nan 8.230 nan 0.000 0.439 421 G N 0.785 109.669 108.800 0.139 0.000 2.649 421 G HA2 -0.330 3.755 3.960 0.209 0.000 0.220 421 G HA3 -0.330 3.755 3.960 0.209 0.000 0.220 421 G C 1.579 176.499 174.900 0.033 0.000 1.189 421 G CA 1.569 46.704 45.100 0.058 0.000 0.777 421 G HN 0.432 nan 8.290 nan 0.000 0.602 422 L N 0.629 121.869 121.223 0.029 0.000 1.990 422 L HA -0.209 4.257 4.340 0.209 0.000 0.213 422 L C 3.521 180.549 176.870 0.264 0.000 1.072 422 L CA 1.617 56.560 54.840 0.172 0.000 0.755 422 L CB -0.955 41.240 42.059 0.227 0.000 0.889 422 L HN 0.390 nan 8.230 nan 0.000 0.432 423 A N -0.031 122.907 122.820 0.198 0.000 1.884 423 A HA -0.224 4.221 4.320 0.209 0.000 0.219 423 A C 2.345 180.064 177.584 0.225 0.000 1.197 423 A CA 2.285 54.440 52.037 0.196 0.000 0.637 423 A CB -1.065 18.016 19.000 0.135 0.000 0.827 423 A HN 0.210 nan 8.150 nan 0.000 0.450 424 V N -0.662 119.373 119.914 0.202 0.000 2.222 424 V HA -0.343 3.903 4.120 0.209 0.000 0.252 424 V C 2.530 178.745 176.094 0.202 0.000 1.060 424 V CA 2.432 64.858 62.300 0.209 0.000 1.027 424 V CB -1.073 30.880 31.823 0.216 0.000 0.644 424 V HN 0.394 nan 8.190 nan 0.000 0.448 425 V N -1.713 118.269 119.914 0.113 0.000 2.282 425 V HA -0.323 3.922 4.120 0.209 0.000 0.249 425 V C 2.033 178.222 176.094 0.157 0.000 1.057 425 V CA 2.681 64.987 62.300 0.010 0.000 1.032 425 V CB -0.607 31.155 31.823 -0.100 0.000 0.645 425 V HN 0.718 nan 8.190 nan 0.000 0.447 426 W N -1.144 120.262 121.300 0.177 0.000 2.518 426 W HA 0.062 4.847 4.660 0.209 0.000 0.273 426 W C 2.049 178.725 176.519 0.262 0.000 1.247 426 W CA 0.465 57.933 57.345 0.205 0.000 1.288 426 W CB 0.009 29.534 29.460 0.107 0.000 1.107 426 W HN 0.134 nan 8.180 nan 0.000 0.586 427 L N 0.027 121.517 121.223 0.445 0.000 2.592 427 L HA 0.033 4.499 4.340 0.209 0.000 0.227 427 L C 1.520 178.584 176.870 0.323 0.000 1.127 427 L CA 0.192 55.224 54.840 0.319 0.000 0.884 427 L CB -0.111 42.098 42.059 0.249 0.000 1.065 427 L HN 0.247 nan 8.230 nan 0.000 0.457 428 W N -1.191 120.192 121.300 0.139 0.000 3.638 428 W HA -0.049 4.737 4.660 0.210 0.000 0.226 428 W C 1.701 178.262 176.519 0.071 0.000 1.065 428 W CA 0.036 57.422 57.345 0.070 0.000 1.751 428 W CB -0.671 28.812 29.460 0.038 0.000 0.873 428 W HN 0.081 nan 8.180 nan 0.000 0.786 429 F N 2.464 122.686 119.950 0.453 0.000 2.115 429 F HA -0.305 4.347 4.527 0.209 0.000 0.300 429 F C 1.982 177.832 175.800 0.084 0.000 1.092 429 F CA 2.375 60.514 58.000 0.233 0.000 1.245 429 F CB -0.589 38.480 39.000 0.115 0.000 0.995 429 F HN -0.197 nan 8.300 nan 0.000 0.481 430 L N 0.702 122.028 121.223 0.171 0.000 2.046 430 L HA -0.093 4.372 4.340 0.209 0.000 0.208 430 L C 2.866 179.651 176.870 -0.142 0.000 1.077 430 L CA 1.797 56.648 54.840 0.017 0.000 0.747 430 L CB -2.060 40.075 42.059 0.127 0.000 0.896 430 L HN 0.297 nan 8.230 nan 0.000 0.432 431 G N -0.704 108.006 108.800 -0.150 0.000 2.721 431 G HA2 -0.364 3.721 3.960 0.209 0.000 0.218 431 G HA3 -0.364 3.721 3.960 0.209 0.000 0.218 431 G C 1.553 176.285 174.900 -0.280 0.000 1.265 431 G CA 1.326 46.287 45.100 -0.232 0.000 0.796 431 G HN 0.186 nan 8.290 nan 0.000 0.620 432 M N -0.154 119.202 119.600 -0.407 0.000 2.513 432 M HA -0.222 4.383 4.480 0.209 0.000 0.256 432 M C 2.594 178.729 176.300 -0.275 0.000 1.061 432 M CA 1.693 56.781 55.300 -0.354 0.000 1.065 432 M CB -1.417 30.953 32.600 -0.384 0.000 1.279 432 M HN 0.214 nan 8.290 nan 0.000 0.453 433 M N -0.403 118.988 119.600 -0.348 0.000 2.126 433 M HA -0.152 4.453 4.480 0.209 0.000 0.259 433 M C 2.451 178.700 176.300 -0.085 0.000 1.073 433 M CA 1.817 56.964 55.300 -0.254 0.000 1.103 433 M CB -1.632 30.784 32.600 -0.306 0.000 1.284 433 M HN 0.282 nan 8.290 nan 0.000 0.420 434 I N -0.325 120.215 120.570 -0.050 0.000 2.185 434 I HA -0.360 3.935 4.170 0.209 0.000 0.246 434 I C 2.726 178.948 176.117 0.175 0.000 1.088 434 I CA 1.617 62.972 61.300 0.090 0.000 1.347 434 I CB -0.519 37.459 38.000 -0.038 0.000 1.041 434 I HN 0.359 nan 8.210 nan 0.000 0.415 435 M N 0.640 120.240 119.600 -0.001 0.000 2.077 435 M HA -0.195 4.410 4.480 0.209 0.000 0.261 435 M C 2.482 178.756 176.300 -0.042 0.000 1.070 435 M CA 2.187 57.461 55.300 -0.044 0.000 1.125 435 M CB -0.164 32.340 32.600 -0.161 0.000 1.339 435 M HN 0.241 nan 8.290 nan 0.000 0.409 436 A N 0.058 122.837 122.820 -0.069 0.000 1.873 436 A HA -0.180 4.265 4.320 0.209 0.000 0.218 436 A C 2.067 179.710 177.584 0.099 0.000 1.193 436 A CA 2.386 54.418 52.037 -0.008 0.000 0.629 436 A CB -1.480 17.478 19.000 -0.069 0.000 0.826 436 A HN 0.457 nan 8.150 nan 0.000 0.447 437 V N -0.028 119.893 119.914 0.011 0.000 2.324 437 V HA -0.248 3.997 4.120 0.209 0.000 0.250 437 V C 2.759 178.888 176.094 0.059 0.000 1.060 437 V CA 2.134 64.416 62.300 -0.030 0.000 1.042 437 V CB -1.588 30.185 31.823 -0.084 0.000 0.650 437 V HN 0.659 nan 8.190 nan 0.000 0.450 438 G N -0.866 107.981 108.800 0.080 0.000 2.509 438 G HA2 -0.128 3.958 3.960 0.209 0.000 0.218 438 G HA3 -0.128 3.958 3.960 0.209 0.000 0.218 438 G C 1.370 176.305 174.900 0.058 0.000 1.124 438 G CA 0.559 45.706 45.100 0.078 0.000 0.776 438 G HN 0.375 nan 8.290 nan 0.000 0.547 439 L N -0.142 121.083 121.223 0.002 0.000 2.130 439 L HA 0.227 4.692 4.340 0.209 0.000 0.200 439 L C 2.421 179.275 176.870 -0.026 0.000 1.075 439 L CA 1.138 55.904 54.840 -0.123 0.000 0.768 439 L CB -1.381 40.467 42.059 -0.351 0.000 0.933 439 L HN 0.210 nan 8.230 nan 0.000 0.451 440 H N -2.061 116.955 119.070 -0.091 0.000 2.394 440 H HA -0.276 4.405 4.556 0.208 0.000 0.297 440 H C 1.755 177.307 175.328 0.374 0.000 1.113 440 H CA 2.313 58.370 56.048 0.015 0.000 1.277 440 H CB -0.246 29.350 29.762 -0.277 0.000 1.370 440 H HN 0.341 nan 8.280 nan 0.000 0.506 441 W N 1.415 122.789 121.300 0.123 0.000 2.381 441 W HA -0.097 4.688 4.660 0.208 0.000 0.323 441 W C 2.685 179.241 176.519 0.061 0.000 1.194 441 W CA 1.720 59.100 57.345 0.059 0.000 1.296 441 W CB -1.080 28.321 29.460 -0.098 0.000 1.175 441 W HN 0.193 nan 8.180 nan 0.000 0.465 442 A N 0.980 123.958 122.820 0.264 0.000 1.927 442 A HA -0.172 4.273 4.320 0.209 0.000 0.220 442 A C 2.324 179.976 177.584 0.114 0.000 1.185 442 A CA 2.955 55.032 52.037 0.067 0.000 0.639 442 A CB -1.619 17.381 19.000 -0.001 0.000 0.820 442 A HN 0.419 nan 8.150 nan 0.000 0.451 443 G N -0.092 108.807 108.800 0.165 0.000 2.514 443 G HA2 -0.261 3.824 3.960 0.209 0.000 0.217 443 G HA3 -0.261 3.824 3.960 0.209 0.000 0.217 443 G C 1.548 176.536 174.900 0.147 0.000 1.198 443 G CA 1.178 46.383 45.100 0.176 0.000 0.780 443 G HN 0.466 nan 8.290 nan 0.000 0.565 444 L N 0.086 121.433 121.223 0.207 0.000 2.051 444 L HA -0.104 4.362 4.340 0.209 0.000 0.214 444 L C 2.656 179.555 176.870 0.048 0.000 1.076 444 L CA 0.636 55.496 54.840 0.033 0.000 0.758 444 L CB -0.431 41.662 42.059 0.056 0.000 0.890 444 L HN 0.169 nan 8.230 nan 0.000 0.433 445 L N -0.058 121.238 121.223 0.123 0.000 2.721 445 L HA -0.105 4.361 4.340 0.209 0.000 0.241 445 L C 0.328 177.216 176.870 0.030 0.000 1.168 445 L CA 0.502 55.387 54.840 0.075 0.000 0.866 445 L CB -0.938 41.178 42.059 0.095 0.000 0.996 445 L HN 0.494 nan 8.230 nan 0.000 0.451 446 N N -0.981 117.727 118.700 0.014 0.000 2.783 446 N HA -0.139 4.727 4.740 0.209 0.000 0.247 446 N C -0.625 174.854 175.510 -0.052 0.000 1.089 446 N CA -0.216 52.838 53.050 0.006 0.000 0.690 446 N CB -0.858 37.650 38.487 0.035 0.000 0.991 446 N HN 0.033 nan 8.380 nan 0.000 0.552 447 V N 1.027 120.874 119.914 -0.111 0.000 2.364 447 V HA 0.392 4.637 4.120 0.209 0.000 0.272 447 V C -1.527 174.492 176.094 -0.124 0.000 1.036 447 V CA -1.296 60.812 62.300 -0.320 0.000 0.880 447 V CB 1.118 32.708 31.823 -0.388 0.000 0.991 447 V HN 0.020 nan 8.190 nan 0.000 0.460 448 P HA 0.192 nan 4.420 nan 0.000 0.271 448 P C -0.477 176.914 177.300 0.152 0.000 1.218 448 P CA -0.403 62.721 63.100 0.041 0.000 0.780 448 P CB 0.885 32.636 31.700 0.084 0.000 0.901 449 R N 1.976 122.573 120.500 0.162 0.000 2.541 449 R HA 0.430 4.895 4.340 0.209 0.000 0.263 449 R C 0.077 176.570 176.300 0.322 0.000 1.112 449 R CA -0.753 55.488 56.100 0.236 0.000 1.170 449 R CB 0.001 30.359 30.300 0.097 0.000 1.167 449 R HN 0.285 nan 8.270 nan 0.000 0.582 450 R N -1.140 119.597 120.500 0.394 0.000 3.188 450 R HA -0.188 4.277 4.340 0.209 0.000 0.247 450 R C -1.247 175.384 176.300 0.551 0.000 0.918 450 R CA 0.854 57.205 56.100 0.417 0.000 0.629 450 R CB -2.058 28.424 30.300 0.302 0.000 1.087 450 R HN 0.729 nan 8.270 nan 0.000 0.462 451 A N 0.524 123.684 122.820 0.567 0.000 2.429 451 A HA 0.269 4.714 4.320 0.209 0.000 0.289 451 A C -0.628 177.028 177.584 0.121 0.000 1.043 451 A CA -0.587 51.703 52.037 0.423 0.000 0.722 451 A CB 0.875 20.034 19.000 0.265 0.000 1.243 451 A HN 0.459 nan 8.150 nan 0.000 0.415 452 Y N 5.121 125.409 120.300 -0.019 0.000 3.213 452 Y HA -0.046 4.629 4.550 0.209 0.000 0.383 452 Y C 1.702 177.362 175.900 -0.399 0.000 1.006 452 Y CA 0.002 57.753 58.100 -0.581 0.000 1.932 452 Y CB 0.031 38.243 38.460 -0.414 0.000 2.090 452 Y HN 0.776 nan 8.280 nan 0.000 0.427 453 I N 0.796 121.230 120.570 -0.227 0.000 2.367 453 I HA -0.344 3.951 4.170 0.209 0.000 0.256 453 I C 1.889 177.926 176.117 -0.134 0.000 1.132 453 I CA 2.219 63.456 61.300 -0.106 0.000 1.397 453 I CB -1.197 36.770 38.000 -0.055 0.000 1.074 453 I HN 0.420 nan 8.210 nan 0.000 0.435 454 A N 0.448 123.149 122.820 -0.199 0.000 2.019 454 A HA -0.262 4.183 4.320 0.209 0.000 0.219 454 A C 2.271 179.678 177.584 -0.295 0.000 1.164 454 A CA 1.691 53.624 52.037 -0.172 0.000 0.644 454 A CB -0.683 18.281 19.000 -0.061 0.000 0.805 454 A HN 0.694 nan 8.150 nan 0.000 0.449 455 Q N -0.159 119.297 119.800 -0.573 0.000 2.378 455 Q HA 0.009 4.475 4.340 0.209 0.000 0.205 455 Q C 0.401 176.215 176.000 -0.310 0.000 0.954 455 Q CA 1.122 56.557 55.803 -0.613 0.000 0.901 455 Q CB 0.040 28.164 28.738 -1.023 0.000 0.981 455 Q HN 0.538 nan 8.270 nan 0.000 0.483 456 V N -0.917 118.868 119.914 -0.216 0.000 2.180 456 V HA 0.369 4.614 4.120 0.209 0.000 0.265 456 V C -2.097 173.912 176.094 -0.142 0.000 1.214 456 V CA -1.381 60.825 62.300 -0.157 0.000 1.130 456 V CB 0.345 32.088 31.823 -0.133 0.000 1.266 456 V HN 0.094 nan 8.190 nan 0.000 0.473 457 P HA -0.005 nan 4.420 nan 0.000 0.242 457 P C 0.533 177.773 177.300 -0.099 0.000 1.197 457 P CA 0.654 63.694 63.100 -0.100 0.000 0.765 457 P CB 0.457 32.100 31.700 -0.094 0.000 0.936 458 D N -0.353 119.974 120.400 -0.122 0.000 2.349 458 D HA 0.106 4.872 4.640 0.209 0.000 0.224 458 D C 1.673 177.872 176.300 -0.169 0.000 1.029 458 D CA 0.341 54.266 54.000 -0.125 0.000 0.879 458 D CB 0.236 40.968 40.800 -0.115 0.000 0.906 458 D HN 0.168 nan 8.370 nan 0.000 0.528 459 A N -0.683 121.991 122.820 -0.243 0.000 1.993 459 A HA 0.055 4.500 4.320 0.209 0.000 0.207 459 A C 0.336 177.545 177.584 -0.626 0.000 1.224 459 A CA 0.113 51.861 52.037 -0.482 0.000 0.749 459 A CB 0.053 18.649 19.000 -0.675 0.000 0.884 459 A HN 0.142 nan 8.150 nan 0.000 0.467 460 Y N 0.107 120.394 120.300 -0.022 0.000 2.944 460 Y HA 0.348 5.024 4.550 0.209 0.000 0.335 460 Y C -1.970 173.925 175.900 -0.009 0.000 1.075 460 Y CA -2.002 56.104 58.100 0.010 0.000 1.240 460 Y CB 1.013 39.476 38.460 0.006 0.000 1.167 460 Y HN 0.264 nan 8.280 nan 0.000 0.555 461 P HA -0.043 nan 4.420 nan 0.000 0.226 461 P C 0.582 177.808 177.300 -0.123 0.000 1.161 461 P CA 1.275 64.327 63.100 -0.081 0.000 0.804 461 P CB 0.330 31.926 31.700 -0.173 0.000 0.829 462 H N -0.443 118.640 119.070 0.022 0.000 2.547 462 H HA 0.223 4.904 4.556 0.209 0.000 0.272 462 H C 1.889 177.178 175.328 -0.065 0.000 0.989 462 H CA 0.876 56.923 56.048 -0.001 0.000 1.214 462 H CB -0.793 28.988 29.762 0.032 0.000 1.389 462 H HN 0.075 nan 8.280 nan 0.000 0.577 463 A N 1.175 124.037 122.820 0.071 0.000 2.067 463 A HA 0.037 4.482 4.320 0.209 0.000 0.219 463 A C 2.498 179.985 177.584 -0.163 0.000 1.158 463 A CA 1.070 53.072 52.037 -0.058 0.000 0.661 463 A CB -0.902 18.116 19.000 0.031 0.000 0.801 463 A HN 0.471 nan 8.150 nan 0.000 0.452 464 A N -1.325 121.436 122.820 -0.098 0.000 1.280 464 A HA -0.394 4.051 4.320 0.209 0.000 0.378 464 A C 2.430 179.927 177.584 -0.145 0.000 4.941 464 A CA 3.797 55.769 52.037 -0.110 0.000 0.990 464 A CB -1.547 17.395 19.000 -0.096 0.000 0.651 464 A HN 1.627 nan 8.150 nan 0.000 0.544 465 V N -1.338 118.405 119.914 -0.286 0.000 2.911 465 V HA 0.102 4.347 4.120 0.209 0.000 0.237 465 V C -0.762 175.107 176.094 -0.375 0.000 1.156 465 V CA 0.950 63.076 62.300 -0.289 0.000 1.180 465 V CB -0.153 31.511 31.823 -0.265 0.000 0.932 465 V HN 0.421 nan 8.190 nan 0.000 0.483 466 P HA -0.248 nan 4.420 nan 0.000 0.216 466 P C 1.992 179.224 177.300 -0.113 0.000 1.154 466 P CA 2.104 64.877 63.100 -0.544 0.000 0.865 466 P CB -0.235 31.087 31.700 -0.630 0.000 0.789 467 M N -0.843 118.662 119.600 -0.158 0.000 2.192 467 M HA -0.177 4.428 4.480 0.209 0.000 0.259 467 M C 1.975 178.280 176.300 0.009 0.000 1.071 467 M CA 1.748 57.020 55.300 -0.047 0.000 1.082 467 M CB -0.646 31.915 32.600 -0.064 0.000 1.373 467 M HN -0.176 nan 8.290 nan 0.000 0.408 468 V N -0.788 119.144 119.914 0.031 0.000 2.221 468 V HA -0.242 4.004 4.120 0.209 0.000 0.242 468 V C 1.850 177.989 176.094 0.076 0.000 1.041 468 V CA 1.828 64.154 62.300 0.044 0.000 0.995 468 V CB -1.185 30.665 31.823 0.046 0.000 0.635 468 V HN 0.257 nan 8.190 nan 0.000 0.448 469 F N 1.585 121.511 119.950 -0.040 0.000 2.065 469 F HA -0.351 4.301 4.527 0.208 0.000 0.290 469 F C 2.510 178.287 175.800 -0.039 0.000 1.079 469 F CA 2.556 60.546 58.000 -0.016 0.000 1.261 469 F CB -0.952 38.069 39.000 0.035 0.000 0.968 469 F HN 0.213 nan 8.300 nan 0.000 0.496 470 N N 0.282 119.078 118.700 0.161 0.000 2.025 470 N HA -0.164 4.702 4.740 0.209 0.000 0.194 470 N C 2.098 177.615 175.510 0.011 0.000 1.044 470 N CA 1.764 54.848 53.050 0.057 0.000 0.851 470 N CB -1.039 37.482 38.487 0.058 0.000 1.036 470 N HN 0.158 nan 8.380 nan 0.000 0.422 471 V N 2.625 122.545 119.914 0.010 0.000 2.278 471 V HA -0.215 4.031 4.120 0.209 0.000 0.251 471 V C 2.456 178.520 176.094 -0.049 0.000 1.062 471 V CA 1.346 63.633 62.300 -0.021 0.000 1.038 471 V CB -0.539 31.271 31.823 -0.022 0.000 0.646 471 V HN 0.344 nan 8.190 nan 0.000 0.447 472 L N -0.126 121.064 121.223 -0.055 0.000 2.027 472 L HA -0.129 4.336 4.340 0.209 0.000 0.206 472 L C 2.632 179.448 176.870 -0.090 0.000 1.074 472 L CA 2.082 56.872 54.840 -0.084 0.000 0.745 472 L CB -0.855 41.130 42.059 -0.123 0.000 0.898 472 L HN 0.376 nan 8.230 nan 0.000 0.433 473 A N 0.291 123.061 122.820 -0.084 0.000 1.940 473 A HA -0.244 4.202 4.320 0.209 0.000 0.221 473 A C 2.245 179.756 177.584 -0.122 0.000 1.190 473 A CA 1.988 53.963 52.037 -0.105 0.000 0.647 473 A CB -1.514 17.426 19.000 -0.100 0.000 0.821 473 A HN 0.576 nan 8.150 nan 0.000 0.457 474 G N 0.084 108.817 108.800 -0.113 0.000 2.739 474 G HA2 -0.267 3.819 3.960 0.209 0.000 0.216 474 G HA3 -0.267 3.819 3.960 0.209 0.000 0.216 474 G C 1.436 176.246 174.900 -0.149 0.000 1.298 474 G CA 1.352 46.368 45.100 -0.140 0.000 0.804 474 G HN 0.475 nan 8.290 nan 0.000 0.623 475 I N 0.144 120.639 120.570 -0.125 0.000 2.182 475 I HA -0.247 4.048 4.170 0.209 0.000 0.248 475 I C 2.814 178.879 176.117 -0.087 0.000 1.073 475 I CA 1.034 62.270 61.300 -0.107 0.000 1.335 475 I CB -0.402 37.548 38.000 -0.083 0.000 1.031 475 I HN 0.099 nan 8.210 nan 0.000 0.420 476 V N 0.141 120.006 119.914 -0.081 0.000 2.323 476 V HA -0.209 4.036 4.120 0.209 0.000 0.244 476 V C 2.211 178.279 176.094 -0.044 0.000 1.041 476 V CA 1.642 63.910 62.300 -0.053 0.000 1.025 476 V CB -0.259 31.535 31.823 -0.049 0.000 0.656 476 V HN 0.325 nan 8.190 nan 0.000 0.451 477 L N -0.828 120.337 121.223 -0.097 0.000 2.275 477 L HA -0.141 4.324 4.340 0.209 0.000 0.215 477 L C 2.223 179.067 176.870 -0.045 0.000 1.119 477 L CA 1.044 55.820 54.840 -0.107 0.000 0.790 477 L CB -0.434 41.483 42.059 -0.236 0.000 0.919 477 L HN 0.306 nan 8.230 nan 0.000 0.443 478 L N -0.719 120.455 121.223 -0.083 0.000 1.961 478 L HA -0.230 4.235 4.340 0.209 0.000 0.210 478 L C 2.561 179.425 176.870 -0.010 0.000 1.072 478 L CA 1.502 56.291 54.840 -0.085 0.000 0.749 478 L CB -0.171 41.801 42.059 -0.145 0.000 0.889 478 L HN 0.020 nan 8.230 nan 0.000 0.432 479 V N 0.423 120.332 119.914 -0.009 0.000 2.250 479 V HA -0.388 3.857 4.120 0.209 0.000 0.250 479 V C 2.816 178.961 176.094 0.085 0.000 1.060 479 V CA 2.024 64.339 62.300 0.025 0.000 1.030 479 V CB -1.136 30.698 31.823 0.017 0.000 0.643 479 V HN 0.630 nan 8.190 nan 0.000 0.445 480 A N -0.338 122.552 122.820 0.117 0.000 1.892 480 A HA -0.237 4.208 4.320 0.209 0.000 0.218 480 A C 2.177 179.927 177.584 0.278 0.000 1.188 480 A CA 2.367 54.539 52.037 0.226 0.000 0.631 480 A CB -0.678 18.499 19.000 0.295 0.000 0.822 480 A HN 0.461 nan 8.150 nan 0.000 0.447 481 L N -0.038 121.329 121.223 0.240 0.000 1.976 481 L HA -0.118 4.348 4.340 0.209 0.000 0.209 481 L C 2.314 179.348 176.870 0.273 0.000 1.071 481 L CA 1.826 56.837 54.840 0.285 0.000 0.746 481 L CB -1.054 41.121 42.059 0.194 0.000 0.890 481 L HN 0.438 nan 8.230 nan 0.000 0.432 482 L N -0.981 120.337 121.223 0.159 0.000 1.941 482 L HA -0.336 4.129 4.340 0.209 0.000 0.224 482 L C 2.593 179.551 176.870 0.145 0.000 1.081 482 L CA 2.001 56.906 54.840 0.108 0.000 0.784 482 L CB -1.105 40.986 42.059 0.053 0.000 0.894 482 L HN 0.284 nan 8.230 nan 0.000 0.436 483 L N -1.164 120.146 121.223 0.144 0.000 2.223 483 L HA -0.360 4.105 4.340 0.209 0.000 0.230 483 L C 2.526 179.538 176.870 0.236 0.000 1.110 483 L CA 1.994 56.937 54.840 0.172 0.000 0.834 483 L CB -0.634 41.532 42.059 0.178 0.000 0.915 483 L HN 0.311 nan 8.230 nan 0.000 0.450 484 F N -0.248 119.766 119.950 0.107 0.000 2.502 484 F HA -0.077 4.574 4.527 0.207 0.000 0.298 484 F C 1.911 177.763 175.800 0.088 0.000 1.111 484 F CA 0.805 58.860 58.000 0.091 0.000 1.445 484 F CB -0.006 39.029 39.000 0.059 0.000 1.081 484 F HN -0.079 nan 8.300 nan 0.000 0.558 485 I N -0.608 119.937 120.570 -0.042 0.000 2.162 485 I HA -0.263 4.032 4.170 0.209 0.000 0.238 485 I C 1.965 178.026 176.117 -0.094 0.000 1.076 485 I CA 1.386 62.566 61.300 -0.202 0.000 1.353 485 I CB -1.175 36.684 38.000 -0.236 0.000 1.063 485 I HN 0.054 nan 8.210 nan 0.000 0.408 486 Y N 1.534 121.777 120.300 -0.095 0.000 2.538 486 Y HA -0.185 4.490 4.550 0.209 0.000 0.287 486 Y C 2.044 177.926 175.900 -0.030 0.000 1.157 486 Y CA 1.054 59.133 58.100 -0.035 0.000 1.338 486 Y CB -0.481 37.975 38.460 -0.006 0.000 0.970 486 Y HN 0.133 nan 8.280 nan 0.000 0.564 487 G N -0.670 108.146 108.800 0.027 0.000 2.670 487 G HA2 -0.167 3.918 3.960 0.209 0.000 0.219 487 G HA3 -0.167 3.918 3.960 0.209 0.000 0.219 487 G C 1.287 176.053 174.900 -0.224 0.000 1.342 487 G CA 0.460 45.525 45.100 -0.059 0.000 0.902 487 G HN 0.319 nan 8.290 nan 0.000 0.553 488 L N -0.125 120.798 121.223 -0.501 0.000 2.034 488 L HA -0.129 4.336 4.340 0.209 0.000 0.217 488 L C 2.526 179.275 176.870 -0.202 0.000 1.077 488 L CA 1.891 56.422 54.840 -0.515 0.000 0.769 488 L CB -0.714 40.889 42.059 -0.760 0.000 0.890 488 L HN 0.193 nan 8.230 nan 0.000 0.435 489 F N -0.504 119.235 119.950 -0.352 0.000 2.037 489 F HA -0.111 4.542 4.527 0.210 0.000 0.291 489 F C 3.029 178.666 175.800 -0.272 0.000 1.137 489 F CA 1.570 59.416 58.000 -0.257 0.000 1.178 489 F CB -1.541 37.346 39.000 -0.189 0.000 0.995 489 F HN 0.235 nan 8.300 nan 0.000 0.472 490 S N -0.281 115.332 115.700 -0.146 0.000 2.407 490 S HA -0.185 4.411 4.470 0.209 0.000 0.235 490 S C 1.768 176.245 174.600 -0.204 0.000 1.036 490 S CA 1.285 59.312 58.200 -0.289 0.000 1.013 490 S CB -0.843 61.975 63.200 -0.637 0.000 0.820 490 S HN 0.121 nan 8.310 nan 0.000 0.476 491 V N 0.887 120.689 119.914 -0.187 0.000 3.413 491 V HA 0.436 4.681 4.120 0.209 0.000 0.344 491 V C 0.773 176.732 176.094 -0.226 0.000 1.225 491 V CA 0.495 62.680 62.300 -0.192 0.000 1.324 491 V CB -0.257 31.436 31.823 -0.216 0.000 1.161 491 V HN 0.637 nan 8.190 nan 0.000 0.432 492 L N -1.538 119.555 121.223 -0.217 0.000 2.481 492 L HA 0.168 4.633 4.340 0.209 0.000 0.253 492 L C 1.645 178.401 176.870 -0.191 0.000 1.071 492 L CA 0.527 55.230 54.840 -0.229 0.000 1.189 492 L CB 0.044 41.920 42.059 -0.304 0.000 2.356 492 L HN 0.380 nan 8.230 nan 0.000 0.545 493 L N 1.199 122.313 121.223 -0.183 0.000 1.965 493 L HA -0.148 4.317 4.340 0.209 0.000 0.226 493 L C 1.302 178.106 176.870 -0.109 0.000 1.083 493 L CA 2.100 56.857 54.840 -0.139 0.000 0.790 493 L CB -0.658 41.325 42.059 -0.126 0.000 0.898 493 L HN 0.346 nan 8.230 nan 0.000 0.439 494 S N 0.295 115.932 115.700 -0.105 0.000 2.546 494 S HA 0.064 4.659 4.470 0.209 0.000 0.290 494 S C 1.190 175.748 174.600 -0.071 0.000 1.290 494 S CA -0.602 57.551 58.200 -0.077 0.000 1.069 494 S CB 0.820 63.980 63.200 -0.068 0.000 0.846 494 S HN 0.320 nan 8.310 nan 0.000 0.495 495 R N 1.545 122.012 120.500 -0.055 0.000 2.066 495 R HA -0.008 4.457 4.340 0.209 0.000 0.232 495 R C 0.275 176.548 176.300 -0.046 0.000 1.131 495 R CA 0.629 56.699 56.100 -0.049 0.000 0.955 495 R CB -0.909 29.369 30.300 -0.037 0.000 0.851 495 R HN 0.757 nan 8.270 nan 0.000 0.432 496 E N 2.409 122.586 120.200 -0.038 0.000 1.517 496 E HA -0.222 4.253 4.350 0.209 0.000 0.274 496 E C -0.262 176.314 176.600 -0.039 0.000 0.503 496 E CA 0.833 57.214 56.400 -0.033 0.000 0.958 496 E CB -0.862 28.821 29.700 -0.029 0.000 0.809 496 E HN 0.354 nan 8.360 nan 0.000 0.336 497 R N 0.822 121.299 120.500 -0.038 0.000 2.480 497 R HA 0.491 4.957 4.340 0.209 0.000 0.306 497 R C 0.078 176.360 176.300 -0.030 0.000 0.958 497 R CA -0.861 55.215 56.100 -0.040 0.000 0.861 497 R CB 1.720 31.989 30.300 -0.050 0.000 1.171 497 R HN -0.088 nan 8.270 nan 0.000 0.445 498 K N 2.627 123.012 120.400 -0.025 0.000 3.239 498 K HA 0.239 4.684 4.320 0.209 0.000 0.204 498 K C -2.174 174.418 176.600 -0.012 0.000 1.126 498 K CA -1.685 54.592 56.287 -0.016 0.000 0.948 498 K CB 1.511 34.005 32.500 -0.010 0.000 0.818 498 K HN 0.427 nan 8.250 nan 0.000 0.480 499 P HA -0.145 nan 4.420 nan 0.000 0.297 499 P C 0.547 177.845 177.300 -0.003 0.000 1.544 499 P CA 0.596 63.689 63.100 -0.013 0.000 0.798 499 P CB -0.366 31.317 31.700 -0.028 0.000 1.757 500 E N 0.097 120.298 120.200 0.001 0.000 2.150 500 E HA -0.166 4.310 4.350 0.209 0.000 0.193 500 E C 1.150 177.761 176.600 0.019 0.000 0.985 500 E CA 1.085 57.490 56.400 0.007 0.000 0.814 500 E CB -0.862 28.842 29.700 0.006 0.000 0.752 500 E HN 0.289 nan 8.360 nan 0.000 0.466 501 L N 0.942 122.178 121.223 0.022 0.000 2.131 501 L HA 0.131 4.596 4.340 0.209 0.000 0.206 501 L C 2.800 179.699 176.870 0.048 0.000 1.087 501 L CA 1.014 55.876 54.840 0.037 0.000 0.767 501 L CB -0.576 41.505 42.059 0.036 0.000 0.917 501 L HN 0.112 nan 8.230 nan 0.000 0.441 502 A N 0.644 123.483 122.820 0.033 0.000 2.042 502 A HA -0.252 4.193 4.320 0.209 0.000 0.222 502 A C 2.073 179.702 177.584 0.076 0.000 1.167 502 A CA 1.930 53.991 52.037 0.040 0.000 0.649 502 A CB -0.651 18.355 19.000 0.009 0.000 0.809 502 A HN 0.589 nan 8.150 nan 0.000 0.457 503 E N -1.180 119.061 120.200 0.069 0.000 2.512 503 E HA 0.379 4.854 4.350 0.209 0.000 0.195 503 E C 0.527 177.192 176.600 0.109 0.000 1.083 503 E CA 0.426 56.875 56.400 0.082 0.000 0.873 503 E CB -0.227 29.500 29.700 0.045 0.000 0.897 503 E HN 0.895 nan 8.360 nan 0.000 0.514 504 A N 1.686 124.580 122.820 0.123 0.000 3.201 504 A HA -0.073 4.372 4.320 0.209 0.000 0.268 504 A C -1.958 175.703 177.584 0.129 0.000 1.372 504 A CA 0.132 52.267 52.037 0.163 0.000 0.753 504 A CB -1.627 17.524 19.000 0.252 0.000 1.029 504 A HN 0.206 nan 8.150 nan 0.000 0.498 505 P HA 0.376 nan 4.420 nan 0.000 0.243 505 P C 0.392 177.715 177.300 0.038 0.000 1.668 505 P CA -0.225 62.922 63.100 0.078 0.000 0.898 505 P CB -0.675 31.059 31.700 0.057 0.000 1.637 506 L N -0.189 121.038 121.223 0.006 0.000 4.444 506 L HA -0.162 4.303 4.340 0.209 0.000 0.550 506 L C -1.664 175.022 176.870 -0.308 0.000 1.072 506 L CA -0.313 54.428 54.840 -0.164 0.000 0.526 506 L CB -1.200 40.632 42.059 -0.377 0.000 0.633 506 L HN 0.078 nan 8.230 nan 0.000 1.083 507 P HA 0.141 nan 4.420 nan 0.000 0.256 507 P C -0.300 176.776 177.300 -0.374 0.000 1.688 507 P CA 0.135 63.029 63.100 -0.343 0.000 1.162 507 P CB -0.058 31.416 31.700 -0.378 0.000 1.870 508 F N 1.701 121.546 119.950 -0.175 0.000 2.444 508 F HA 0.375 5.021 4.527 0.199 0.000 0.331 508 F C 1.405 177.145 175.800 -0.100 0.000 1.167 508 F CA -0.155 57.765 58.000 -0.134 0.000 1.262 508 F CB 0.722 39.667 39.000 -0.091 0.000 1.196 508 F HN 0.189 nan 8.300 nan 0.000 0.583 509 A N 2.154 125.082 122.820 0.181 0.000 2.282 509 A HA 0.674 5.119 4.320 0.209 0.000 0.324 509 A C -0.836 176.790 177.584 0.070 0.000 1.119 509 A CA -0.613 51.476 52.037 0.087 0.000 0.880 509 A CB 1.074 20.109 19.000 0.059 0.000 1.294 509 A HN 0.763 nan 8.150 nan 0.000 0.493 510 E N -1.269 118.960 120.200 0.048 0.000 2.303 510 E HA 0.603 5.078 4.350 0.209 0.000 0.254 510 E C -1.108 175.500 176.600 0.014 0.000 0.979 510 E CA -0.644 55.770 56.400 0.023 0.000 0.843 510 E CB 1.898 31.611 29.700 0.022 0.000 1.245 510 E HN 0.380 nan 8.360 nan 0.000 0.413 511 V N 1.564 121.472 119.914 -0.009 0.000 2.713 511 V HA 0.205 4.450 4.120 0.209 0.000 0.307 511 V C -0.255 175.812 176.094 -0.044 0.000 1.052 511 V CA -0.719 61.565 62.300 -0.026 0.000 0.967 511 V CB 1.301 33.103 31.823 -0.035 0.000 1.019 511 V HN 0.513 nan 8.190 nan 0.000 0.459 512 I N 2.830 123.349 120.570 -0.084 0.000 2.349 512 I HA 0.064 4.359 4.170 0.209 0.000 0.302 512 I C 1.047 177.118 176.117 -0.077 0.000 1.180 512 I CA 0.761 61.989 61.300 -0.120 0.000 1.405 512 I CB -0.207 37.673 38.000 -0.201 0.000 1.474 512 I HN 0.552 nan 8.210 nan 0.000 0.632 513 S N 3.913 119.580 115.700 -0.055 0.000 2.596 513 S HA 0.301 4.896 4.470 0.209 0.000 0.298 513 S C 0.702 175.276 174.600 -0.044 0.000 1.255 513 S CA -0.027 58.148 58.200 -0.042 0.000 1.083 513 S CB -0.201 62.981 63.200 -0.030 0.000 0.837 513 S HN 0.773 nan 8.310 nan 0.000 0.499 514 G N 5.297 114.072 108.800 -0.042 0.000 2.491 514 G HA2 0.518 4.603 3.960 0.209 0.000 0.327 514 G HA3 0.518 4.603 3.960 0.209 0.000 0.327 514 G C -1.835 173.045 174.900 -0.033 0.000 1.189 514 G CA -1.354 43.722 45.100 -0.040 0.000 0.956 514 G HN 0.474 nan 8.290 nan 0.000 0.491 515 P HA -0.037 nan 4.420 nan 0.000 0.202 515 P C 1.375 178.660 177.300 -0.024 0.000 1.171 515 P CA 0.947 64.032 63.100 -0.025 0.000 0.925 515 P CB 0.198 31.884 31.700 -0.024 0.000 0.760 516 E N -0.512 119.673 120.200 -0.025 0.000 2.455 516 E HA -0.145 4.330 4.350 0.209 0.000 0.202 516 E C 0.251 176.833 176.600 -0.030 0.000 1.045 516 E CA 0.379 56.764 56.400 -0.025 0.000 0.872 516 E CB -0.774 28.912 29.700 -0.024 0.000 0.792 516 E HN 0.277 nan 8.360 nan 0.000 0.542 517 D N 0.258 120.638 120.400 -0.034 0.000 2.570 517 D HA -0.135 4.630 4.640 0.209 0.000 0.253 517 D C 0.995 177.273 176.300 -0.036 0.000 1.316 517 D CA 0.772 54.747 54.000 -0.041 0.000 1.049 517 D CB 0.026 40.802 40.800 -0.040 0.000 1.042 517 D HN 0.046 nan 8.370 nan 0.000 0.471 518 R N -1.185 119.297 120.500 -0.031 0.000 4.933 518 R HA 0.190 4.655 4.340 0.209 0.000 0.075 518 R C 1.389 177.678 176.300 -0.017 0.000 0.685 518 R CA 0.017 56.104 56.100 -0.023 0.000 1.394 518 R CB 0.134 30.425 30.300 -0.015 0.000 1.458 518 R HN -0.128 nan 8.270 nan 0.000 0.400 519 R N 1.087 121.579 120.500 -0.013 0.000 2.120 519 R HA -0.041 4.424 4.340 0.209 0.000 0.234 519 R C 1.961 178.256 176.300 -0.007 0.000 1.123 519 R CA 1.710 57.805 56.100 -0.008 0.000 0.975 519 R CB -0.338 29.957 30.300 -0.007 0.000 0.866 519 R HN 0.242 nan 8.270 nan 0.000 0.446 520 L N -0.304 120.910 121.223 -0.016 0.000 2.062 520 L HA -0.011 4.454 4.340 0.209 0.000 0.202 520 L C 1.951 178.799 176.870 -0.037 0.000 1.079 520 L CA 1.421 56.250 54.840 -0.019 0.000 0.755 520 L CB -0.682 41.362 42.059 -0.026 0.000 0.913 520 L HN -0.221 nan 8.230 nan 0.000 0.445 521 V N 0.611 120.487 119.914 -0.064 0.000 2.982 521 V HA -0.208 4.038 4.120 0.209 0.000 0.265 521 V C 2.610 178.629 176.094 -0.124 0.000 1.122 521 V CA 0.982 63.211 62.300 -0.118 0.000 1.143 521 V CB -0.835 30.912 31.823 -0.126 0.000 0.726 521 V HN 0.406 nan 8.190 nan 0.000 0.507 522 L N 0.708 121.898 121.223 -0.054 0.000 1.973 522 L HA -0.058 4.407 4.340 0.209 0.000 0.208 522 L C 2.704 179.589 176.870 0.024 0.000 1.073 522 L CA 2.331 57.163 54.840 -0.013 0.000 0.746 522 L CB -1.722 40.344 42.059 0.011 0.000 0.891 522 L HN 0.303 nan 8.230 nan 0.000 0.433 523 A N -0.902 121.947 122.820 0.049 0.000 1.954 523 A HA -0.341 4.104 4.320 0.209 0.000 0.222 523 A C 2.332 180.061 177.584 0.241 0.000 1.199 523 A CA 2.688 54.814 52.037 0.147 0.000 0.657 523 A CB -0.648 18.438 19.000 0.143 0.000 0.823 523 A HN 0.499 nan 8.150 nan 0.000 0.463 524 M N -1.312 118.304 119.600 0.028 0.000 2.254 524 M HA -0.099 4.506 4.480 0.209 0.000 0.265 524 M C 1.519 177.770 176.300 -0.081 0.000 1.066 524 M CA 1.328 56.569 55.300 -0.099 0.000 1.123 524 M CB -0.231 32.219 32.600 -0.251 0.000 1.388 524 M HN 0.370 nan 8.290 nan 0.000 0.425 525 D N 0.458 120.770 120.400 -0.147 0.000 2.392 525 D HA -0.099 4.666 4.640 0.209 0.000 0.228 525 D C 0.857 177.316 176.300 0.265 0.000 1.003 525 D CA 0.415 54.407 54.000 -0.014 0.000 0.917 525 D CB 0.034 40.813 40.800 -0.035 0.000 0.890 525 D HN 0.044 nan 8.370 nan 0.000 0.532 526 R N 1.318 122.041 120.500 0.372 0.000 4.218 526 R HA 0.009 4.474 4.340 0.209 0.000 0.208 526 R C 1.602 178.250 176.300 0.580 0.000 2.100 526 R CA -0.206 56.167 56.100 0.456 0.000 1.727 526 R CB -0.899 29.698 30.300 0.495 0.000 1.186 526 R HN 0.419 nan 8.270 nan 0.000 0.645 527 I N -0.696 120.173 120.570 0.500 0.000 2.065 527 I HA -0.327 3.968 4.170 0.209 0.000 0.236 527 I C 2.186 178.595 176.117 0.487 0.000 1.028 527 I CA 2.192 63.753 61.300 0.436 0.000 1.299 527 I CB -1.075 36.982 38.000 0.095 0.000 1.015 527 I HN 0.364 nan 8.210 nan 0.000 0.396 528 G N 0.321 109.383 108.800 0.436 0.000 2.469 528 G HA2 -0.335 3.750 3.960 0.209 0.000 0.220 528 G HA3 -0.335 3.750 3.960 0.209 0.000 0.220 528 G C 1.628 176.749 174.900 0.369 0.000 1.136 528 G CA 0.919 46.244 45.100 0.375 0.000 0.759 528 G HN 0.383 nan 8.290 nan 0.000 0.562 529 F N 0.565 120.632 119.950 0.195 0.000 2.046 529 F HA -0.110 4.541 4.527 0.207 0.000 0.297 529 F C 2.411 178.242 175.800 0.052 0.000 1.123 529 F CA 1.887 59.897 58.000 0.017 0.000 1.199 529 F CB -0.395 38.477 39.000 -0.214 0.000 0.972 529 F HN 0.226 nan 8.300 nan 0.000 0.474 530 W N -0.700 120.713 121.300 0.189 0.000 2.381 530 W HA -0.123 4.661 4.660 0.208 0.000 0.301 530 W C 2.336 178.850 176.519 -0.009 0.000 1.205 530 W CA 1.087 58.441 57.345 0.014 0.000 1.285 530 W CB -1.339 28.253 29.460 0.221 0.000 1.133 530 W HN 0.081 nan 8.180 nan 0.000 0.521 531 F N 1.131 121.221 119.950 0.234 0.000 2.380 531 F HA -0.276 4.378 4.527 0.212 0.000 0.299 531 F C 2.043 177.869 175.800 0.043 0.000 1.064 531 F CA 1.467 59.548 58.000 0.134 0.000 1.432 531 F CB -0.183 38.912 39.000 0.158 0.000 1.089 531 F HN -0.095 nan 8.300 nan 0.000 0.562 532 A N -1.010 121.790 122.820 -0.034 0.000 1.942 532 A HA 0.050 4.496 4.320 0.209 0.000 0.209 532 A C 2.098 179.527 177.584 -0.258 0.000 1.214 532 A CA 0.885 52.825 52.037 -0.161 0.000 0.686 532 A CB -0.981 17.944 19.000 -0.125 0.000 0.871 532 A HN 0.139 nan 8.150 nan 0.000 0.460 533 V N 0.509 120.205 119.914 -0.363 0.000 2.469 533 V HA -0.254 3.991 4.120 0.209 0.000 0.251 533 V C 2.881 178.886 176.094 -0.149 0.000 1.064 533 V CA 1.796 63.945 62.300 -0.251 0.000 1.066 533 V CB -1.714 29.971 31.823 -0.230 0.000 0.667 533 V HN 0.540 nan 8.190 nan 0.000 0.461 534 A N 0.743 123.474 122.820 -0.149 0.000 1.851 534 A HA -0.140 4.305 4.320 0.209 0.000 0.216 534 A C 2.453 179.869 177.584 -0.281 0.000 1.195 534 A CA 2.499 54.417 52.037 -0.199 0.000 0.622 534 A CB -1.020 17.821 19.000 -0.265 0.000 0.831 534 A HN 0.651 nan 8.150 nan 0.000 0.444 535 A N -1.112 121.492 122.820 -0.361 0.000 2.015 535 A HA 0.031 4.477 4.320 0.209 0.000 0.219 535 A C 1.959 179.437 177.584 -0.176 0.000 1.163 535 A CA 1.519 53.394 52.037 -0.271 0.000 0.646 535 A CB -0.494 18.365 19.000 -0.234 0.000 0.806 535 A HN 0.396 nan 8.150 nan 0.000 0.448 536 I N -0.006 120.467 120.570 -0.162 0.000 2.286 536 I HA -0.189 4.107 4.170 0.209 0.000 0.248 536 I C 2.323 178.377 176.117 -0.104 0.000 1.115 536 I CA 0.928 62.159 61.300 -0.114 0.000 1.392 536 I CB -0.322 37.611 38.000 -0.112 0.000 1.065 536 I HN 0.283 nan 8.210 nan 0.000 0.418 537 L N -1.174 119.973 121.223 -0.128 0.000 2.049 537 L HA -0.139 4.326 4.340 0.209 0.000 0.203 537 L C 2.553 179.326 176.870 -0.162 0.000 1.074 537 L CA 0.927 55.696 54.840 -0.118 0.000 0.749 537 L CB -0.770 41.218 42.059 -0.119 0.000 0.907 537 L HN 0.028 nan 8.230 nan 0.000 0.439 538 V N -0.008 119.757 119.914 -0.248 0.000 2.250 538 V HA -0.342 3.903 4.120 0.209 0.000 0.253 538 V C 2.576 178.504 176.094 -0.276 0.000 1.065 538 V CA 1.948 64.011 62.300 -0.394 0.000 1.039 538 V CB -0.728 30.774 31.823 -0.534 0.000 0.647 538 V HN 0.218 nan 8.190 nan 0.000 0.446 539 V N -0.459 119.349 119.914 -0.178 0.000 2.370 539 V HA -0.299 3.946 4.120 0.209 0.000 0.252 539 V C 2.162 178.228 176.094 -0.046 0.000 1.068 539 V CA 2.436 64.683 62.300 -0.088 0.000 1.061 539 V CB -0.528 31.265 31.823 -0.050 0.000 0.656 539 V HN 0.485 nan 8.190 nan 0.000 0.455 540 L N -1.007 120.197 121.223 -0.031 0.000 2.416 540 L HA 0.159 4.625 4.340 0.209 0.000 0.216 540 L C 2.456 179.348 176.870 0.037 0.000 1.098 540 L CA 0.967 55.834 54.840 0.045 0.000 0.840 540 L CB -0.562 41.548 42.059 0.084 0.000 0.981 540 L HN 0.254 nan 8.230 nan 0.000 0.462 541 A N -0.492 122.309 122.820 -0.031 0.000 1.854 541 A HA -0.122 4.323 4.320 0.209 0.000 0.214 541 A C 1.354 178.868 177.584 -0.115 0.000 1.192 541 A CA 1.182 53.204 52.037 -0.024 0.000 0.611 541 A CB -0.666 18.270 19.000 -0.107 0.000 0.832 541 A HN 0.411 nan 8.150 nan 0.000 0.442 542 Y N 0.588 120.660 120.300 -0.381 0.000 2.882 542 Y HA 0.311 4.987 4.550 0.210 0.000 0.361 542 Y C 1.792 177.555 175.900 -0.229 0.000 1.058 542 Y CA -0.569 57.339 58.100 -0.320 0.000 1.575 542 Y CB -0.151 38.037 38.460 -0.454 0.000 1.383 542 Y HN 0.382 nan 8.280 nan 0.000 0.515 543 G N 1.649 110.323 108.800 -0.210 0.000 2.830 543 G HA2 -0.089 3.996 3.960 0.209 0.000 0.172 543 G HA3 -0.089 3.996 3.960 0.209 0.000 0.172 543 G C -1.282 173.554 174.900 -0.107 0.000 1.782 543 G CA -0.105 44.925 45.100 -0.116 0.000 0.900 543 G HN 0.120 nan 8.290 nan 0.000 0.389 544 P HA 0.207 nan 4.420 nan 0.000 0.256 544 P C 0.895 178.190 177.300 -0.010 0.000 1.335 544 P CA 0.737 63.887 63.100 0.083 0.000 0.808 544 P CB 0.615 32.499 31.700 0.307 0.000 1.305 545 T N -1.242 113.129 114.554 -0.304 0.000 3.046 545 T HA 0.163 4.638 4.350 0.209 0.000 0.242 545 T C 1.494 176.168 174.700 -0.043 0.000 1.018 545 T CA 0.280 62.213 62.100 -0.279 0.000 1.131 545 T CB -0.397 68.097 68.868 -0.623 0.000 0.904 545 T HN 0.016 nan 8.240 nan 0.000 0.459 546 L N 0.801 122.035 121.223 0.017 0.000 2.027 546 L HA -0.043 4.422 4.340 0.209 0.000 0.206 546 L C 2.507 179.548 176.870 0.285 0.000 1.074 546 L CA 0.984 55.960 54.840 0.227 0.000 0.745 546 L CB -0.378 41.841 42.059 0.267 0.000 0.898 546 L HN 0.142 nan 8.230 nan 0.000 0.433 547 V N -0.767 119.229 119.914 0.136 0.000 2.214 547 V HA -0.328 3.917 4.120 0.209 0.000 0.244 547 V C 2.225 178.468 176.094 0.248 0.000 1.045 547 V CA 1.697 64.080 62.300 0.139 0.000 0.993 547 V CB -0.310 31.562 31.823 0.082 0.000 0.633 547 V HN 0.564 nan 8.190 nan 0.000 0.449 548 Q N -0.687 119.233 119.800 0.200 0.000 2.478 548 Q HA -0.343 4.122 4.340 0.209 0.000 0.447 548 Q C 1.936 178.121 176.000 0.309 0.000 0.743 548 Q CA 3.363 59.295 55.803 0.214 0.000 0.966 548 Q CB -1.344 27.460 28.738 0.110 0.000 1.221 548 Q HN 0.744 nan 8.270 nan 0.000 0.856 549 L N -0.792 120.559 121.223 0.214 0.000 2.302 549 L HA -0.232 4.234 4.340 0.209 0.000 0.218 549 L C 2.368 179.351 176.870 0.188 0.000 1.100 549 L CA 1.341 56.279 54.840 0.165 0.000 0.774 549 L CB -0.670 41.420 42.059 0.051 0.000 0.896 549 L HN 0.217 nan 8.230 nan 0.000 0.439 550 F N 0.407 120.460 119.950 0.172 0.000 2.710 550 F HA 0.086 4.738 4.527 0.209 0.000 0.298 550 F C 2.392 178.255 175.800 0.105 0.000 1.137 550 F CA 0.771 58.861 58.000 0.150 0.000 1.444 550 F CB -0.475 38.608 39.000 0.138 0.000 1.111 550 F HN -0.011 nan 8.300 nan 0.000 0.580 551 G N -1.081 107.889 108.800 0.282 0.000 2.422 551 G HA2 -0.205 3.880 3.960 0.209 0.000 0.218 551 G HA3 -0.205 3.880 3.960 0.209 0.000 0.218 551 G C 0.329 175.022 174.900 -0.344 0.000 1.140 551 G CA 0.722 45.774 45.100 -0.081 0.000 0.775 551 G HN 0.441 nan 8.290 nan 0.000 0.545 552 H N -0.630 118.468 119.070 0.047 0.000 2.676 552 H HA 0.397 5.078 4.556 0.208 0.000 0.238 552 H C 0.171 175.484 175.328 -0.025 0.000 1.276 552 H CA -1.003 55.053 56.048 0.014 0.000 0.983 552 H CB -0.467 29.304 29.762 0.014 0.000 2.000 552 H HN 0.098 nan 8.280 nan 0.000 0.584 553 L N 0.789 122.031 121.223 0.033 0.000 2.554 553 L HA -0.037 4.428 4.340 0.209 0.000 0.293 553 L C 0.677 177.544 176.870 -0.005 0.000 1.252 553 L CA 0.503 55.318 54.840 -0.042 0.000 0.862 553 L CB 0.264 42.287 42.059 -0.060 0.000 1.113 553 L HN 0.380 nan 8.230 nan 0.000 0.510 554 N N 2.417 121.102 118.700 -0.024 0.000 2.726 554 N HA 0.344 5.209 4.740 0.209 0.000 0.253 554 N C -2.694 172.807 175.510 -0.015 0.000 1.530 554 N CA -1.771 51.277 53.050 -0.005 0.000 0.772 554 N CB 0.877 39.366 38.487 0.004 0.000 1.220 554 N HN 0.168 nan 8.380 nan 0.000 0.508 555 P HA -0.001 nan 4.420 nan 0.000 0.269 555 P C -0.793 176.513 177.300 0.009 0.000 1.211 555 P CA -0.001 63.088 63.100 -0.019 0.000 0.781 555 P CB 0.687 32.389 31.700 0.005 0.000 0.877 556 V N -1.210 118.712 119.914 0.013 0.000 2.969 556 V HA 0.526 4.771 4.120 0.209 0.000 0.304 556 V C -2.871 173.320 176.094 0.161 0.000 1.192 556 V CA -2.943 59.412 62.300 0.093 0.000 0.962 556 V CB 1.399 33.286 31.823 0.106 0.000 1.045 556 V HN 0.258 nan 8.190 nan 0.000 0.428 557 P HA 0.235 nan 4.420 nan 0.000 0.266 557 P C 0.319 177.798 177.300 0.298 0.000 1.180 557 P CA 0.990 64.196 63.100 0.176 0.000 0.765 557 P CB 0.360 32.070 31.700 0.017 0.000 0.806 558 G N 0.910 109.912 108.800 0.336 0.000 2.389 558 G HA2 0.509 4.594 3.960 0.209 0.000 0.328 558 G HA3 0.509 4.594 3.960 0.209 0.000 0.328 558 G C -1.725 173.228 174.900 0.088 0.000 1.133 558 G CA -0.460 44.993 45.100 0.588 0.000 0.891 558 G HN 0.362 nan 8.290 nan 0.000 0.485 559 W N -0.410 121.033 121.300 0.239 0.000 2.781 559 W HA 0.650 5.435 4.660 0.208 0.000 0.345 559 W C 0.392 176.936 176.519 0.041 0.000 1.085 559 W CA -0.959 56.446 57.345 0.100 0.000 1.198 559 W CB 1.858 31.380 29.460 0.103 0.000 1.423 559 W HN 0.556 nan 8.180 nan 0.000 0.532 560 R N 2.573 123.092 120.500 0.033 0.000 2.407 560 R HA 0.479 4.944 4.340 0.209 0.000 0.298 560 R C -1.439 174.590 176.300 -0.451 0.000 1.166 560 R CA -0.414 55.398 56.100 -0.480 0.000 1.006 560 R CB -0.038 29.703 30.300 -0.932 0.000 1.145 560 R HN 0.641 nan 8.270 nan 0.000 0.538 561 L N 3.516 124.693 121.223 -0.077 0.000 2.956 561 L HA 0.600 5.065 4.340 0.209 0.000 0.232 561 L C -1.056 175.913 176.870 0.165 0.000 1.291 561 L CA -0.789 54.069 54.840 0.031 0.000 1.122 561 L CB -0.977 41.153 42.059 0.118 0.000 1.461 561 L HN 0.688 nan 8.230 nan 0.000 0.470 562 W N 0.000 121.320 121.300 0.033 0.000 2.388 562 W HA 0.000 4.785 4.660 0.209 0.000 0.303 562 W CA 0.000 57.355 57.345 0.017 0.000 1.226 562 W CB 0.000 29.458 29.460 -0.003 0.000 1.126 562 W HN 0.000 nan 8.180 nan 0.000 0.535