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 3oma_1_A DATA FIRST_RESID 17 DATA SEQUENCE FTRWFMSTNH KDIGVLYLFT GGLVGLISVA FTVYMRMELM APGVQFMcAE DATA SEQUENCE HLESGLVKGF FQSLWPSAVE NcTPNGHLWN VMITGHGILM MFFVVIPALF DATA SEQUENCE GGFGNYFMPL HIGAPDMAFP RMNNLSYWLY VAGTSLAVAS LFAPGGNGQL DATA SEQUENCE GSGIGWVLYP PLSTSESGYS TDLAIFAVHL SGASSILGAI NMITTFLNMR DATA SEQUENCE APGMTMHKVP LFAWSIFVTA WLILLALPVL AGAITMLLTD RNFGTTFFQP DATA SEQUENCE SGGGDPVLYQ HILWFFGHPE VYIIVLPAFG IVSHVIATFA KKPIFGYLPM DATA SEQUENCE VYAMVAIGVL GFVVWAHHMY TAGLSLTQQS YFMMATMVIA VPTGIMIFSW DATA SEQUENCE IATMWGGSIE LKTPMLWALG FLFLFTVGGV TGIVLSQASV DRYYHDTYYV DATA SEQUENCE VAHFHYVMSL GAVFGIFAGI YFWIGKMSGR QYPEWAGKLH FWMMFVGANL DATA SEQUENCE TFFPQHFLGR QGMPRRYIDY PEAFATWNFV SSLGAFLSFA SFLFFLGVIF DATA SEQUENCE YTLTRGARVT ANNYWNEHAD TLEWTLTSPP PEHTF 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 17 F HA 0.000 nan 4.527 nan 0.000 0.279 17 F C 0.000 175.828 175.800 0.047 0.000 0.967 17 F CA 0.000 58.009 58.000 0.014 0.000 1.383 17 F CB 0.000 39.007 39.000 0.011 0.000 1.145 18 T N -0.323 114.301 114.554 0.117 0.000 3.509 18 T HA 0.492 4.754 4.350 -0.147 0.000 0.250 18 T C 1.455 176.255 174.700 0.167 0.000 1.076 18 T CA 1.790 64.031 62.100 0.235 0.000 0.966 18 T CB -1.058 67.951 68.868 0.234 0.000 1.046 18 T HN 2.042 nan 8.240 nan 0.000 0.591 19 R N -1.092 119.448 120.500 0.066 0.000 2.276 19 R HA 0.340 4.592 4.340 -0.147 0.000 0.196 19 R C 2.350 178.644 176.300 -0.010 0.000 0.961 19 R CA 1.264 57.385 56.100 0.035 0.000 1.024 19 R CB -1.847 28.455 30.300 0.002 0.000 0.940 19 R HN 0.961 nan 8.270 nan 0.000 0.480 20 W N -0.483 120.763 121.300 -0.090 0.000 2.443 20 W HA 0.261 4.833 4.660 -0.147 0.000 0.296 20 W C 1.890 178.286 176.519 -0.205 0.000 1.202 20 W CA 0.779 57.982 57.345 -0.238 0.000 1.312 20 W CB -0.521 28.670 29.460 -0.448 0.000 1.120 20 W HN 0.305 nan 8.180 nan 0.000 0.536 21 F N -0.251 119.739 119.950 0.066 0.000 2.367 21 F HA 0.017 4.466 4.527 -0.130 0.000 0.298 21 F C 2.307 178.308 175.800 0.336 0.000 1.094 21 F CA 1.211 59.335 58.000 0.206 0.000 1.409 21 F CB -0.399 38.883 39.000 0.471 0.000 1.064 21 F HN -0.025 nan 8.300 nan 0.000 0.528 22 M N -0.920 118.906 119.600 0.377 0.000 2.495 22 M HA 0.121 4.513 4.480 -0.147 0.000 0.237 22 M C 0.855 177.259 176.300 0.173 0.000 1.131 22 M CA 0.168 55.639 55.300 0.284 0.000 1.032 22 M CB -0.945 31.767 32.600 0.187 0.000 1.513 22 M HN -0.085 nan 8.290 nan 0.000 0.488 23 S N 1.222 116.985 115.700 0.105 0.000 2.572 23 S HA 0.146 4.528 4.470 -0.147 0.000 0.279 23 S C 1.328 175.960 174.600 0.053 0.000 1.341 23 S CA 0.312 58.533 58.200 0.035 0.000 1.043 23 S CB 0.647 63.819 63.200 -0.047 0.000 0.887 23 S HN 0.562 nan 8.310 nan 0.000 0.516 24 T N 0.966 115.547 114.554 0.046 0.000 3.044 24 T HA 0.222 4.484 4.350 -0.147 0.000 0.260 24 T C 0.509 175.234 174.700 0.041 0.000 1.019 24 T CA -0.430 61.711 62.100 0.069 0.000 0.921 24 T CB -0.331 68.591 68.868 0.090 0.000 1.053 24 T HN 0.571 nan 8.240 nan 0.000 0.533 25 N N 2.195 120.886 118.700 -0.015 0.000 2.497 25 N HA -0.024 4.628 4.740 -0.147 0.000 0.268 25 N C 1.271 176.715 175.510 -0.109 0.000 1.171 25 N CA 0.274 53.289 53.050 -0.058 0.000 0.948 25 N CB 0.822 39.209 38.487 -0.167 0.000 1.069 25 N HN 0.684 nan 8.380 nan 0.000 0.460 26 H N 3.205 122.184 119.070 -0.151 0.000 2.426 26 H HA -0.099 4.369 4.556 -0.148 0.000 0.298 26 H C 1.231 176.387 175.328 -0.286 0.000 1.107 26 H CA 1.502 57.444 56.048 -0.176 0.000 1.298 26 H CB 0.247 29.900 29.762 -0.181 0.000 1.377 26 H HN 0.534 nan 8.280 nan 0.000 0.519 27 K N 0.249 120.017 120.400 -1.055 0.000 2.031 27 K HA -0.104 4.128 4.320 -0.147 0.000 0.205 27 K C 1.665 178.007 176.600 -0.431 0.000 1.049 27 K CA 1.307 56.934 56.287 -1.100 0.000 0.939 27 K CB 0.079 31.799 32.500 -1.300 0.000 0.717 27 K HN 0.390 nan 8.250 nan 0.000 0.438 28 D N 1.073 121.275 120.400 -0.330 0.000 2.117 28 D HA -0.123 4.429 4.640 -0.147 0.000 0.197 28 D C 1.955 178.138 176.300 -0.194 0.000 0.987 28 D CA 1.065 54.938 54.000 -0.213 0.000 0.829 28 D CB -0.165 40.514 40.800 -0.201 0.000 0.961 28 D HN 0.172 nan 8.370 nan 0.000 0.460 29 I N 1.192 121.665 120.570 -0.162 0.000 2.252 29 I HA -0.145 3.937 4.170 -0.147 0.000 0.245 29 I C 2.622 178.757 176.117 0.029 0.000 1.102 29 I CA 1.219 62.451 61.300 -0.114 0.000 1.385 29 I CB -0.492 37.521 38.000 0.022 0.000 1.064 29 I HN 0.001 nan 8.210 nan 0.000 0.414 30 G N 0.612 109.431 108.800 0.033 0.000 2.476 30 G HA2 -0.233 3.638 3.960 -0.147 0.000 0.218 30 G HA3 -0.233 3.638 3.960 -0.147 0.000 0.218 30 G C 1.709 176.629 174.900 0.032 0.000 1.164 30 G CA 1.160 46.305 45.100 0.075 0.000 0.768 30 G HN 0.257 nan 8.290 nan 0.000 0.560 31 V N 0.754 120.670 119.914 0.004 0.000 2.407 31 V HA -0.097 3.935 4.120 -0.147 0.000 0.248 31 V C 2.921 179.018 176.094 0.004 0.000 1.055 31 V CA 1.413 63.688 62.300 -0.041 0.000 1.049 31 V CB -0.342 31.489 31.823 0.013 0.000 0.662 31 V HN 0.351 nan 8.190 nan 0.000 0.455 32 L N -1.695 119.462 121.223 -0.109 0.000 2.046 32 L HA -0.204 4.048 4.340 -0.147 0.000 0.208 32 L C 2.459 179.321 176.870 -0.012 0.000 1.077 32 L CA 1.886 56.575 54.840 -0.252 0.000 0.747 32 L CB -0.614 40.892 42.059 -0.922 0.000 0.896 32 L HN 0.301 nan 8.230 nan 0.000 0.432 33 Y N -0.213 120.107 120.300 0.033 0.000 2.128 33 Y HA -0.288 4.177 4.550 -0.141 0.000 0.284 33 Y C 2.520 178.475 175.900 0.092 0.000 1.154 33 Y CA 1.269 59.477 58.100 0.179 0.000 1.149 33 Y CB -0.129 38.359 38.460 0.047 0.000 0.976 33 Y HN 0.061 nan 8.280 nan 0.000 0.505 34 L N -1.750 119.526 121.223 0.087 0.000 2.012 34 L HA -0.271 3.981 4.340 -0.147 0.000 0.210 34 L C 2.099 178.956 176.870 -0.021 0.000 1.073 34 L CA 1.394 56.168 54.840 -0.111 0.000 0.748 34 L CB -0.530 41.302 42.059 -0.378 0.000 0.891 34 L HN 0.218 nan 8.230 nan 0.000 0.431 35 F N -0.187 119.808 119.950 0.074 0.000 2.206 35 F HA -0.157 4.281 4.527 -0.147 0.000 0.298 35 F C 2.625 178.521 175.800 0.160 0.000 1.090 35 F CA 1.443 59.498 58.000 0.091 0.000 1.323 35 F CB -0.778 38.245 39.000 0.038 0.000 1.028 35 F HN 0.010 nan 8.300 nan 0.000 0.492 36 T N -1.029 113.776 114.554 0.420 0.000 2.809 36 T HA -0.046 4.216 4.350 -0.147 0.000 0.260 36 T C 2.400 177.344 174.700 0.406 0.000 1.039 36 T CA 1.217 63.554 62.100 0.395 0.000 1.141 36 T CB -1.026 68.129 68.868 0.480 0.000 0.869 36 T HN 0.363 nan 8.240 nan 0.000 0.437 37 G N 1.269 110.330 108.800 0.434 0.000 2.505 37 G HA2 -0.165 3.707 3.960 -0.147 0.000 0.220 37 G HA3 -0.165 3.707 3.960 -0.147 0.000 0.220 37 G C 1.701 176.762 174.900 0.270 0.000 1.145 37 G CA 1.136 46.437 45.100 0.335 0.000 0.761 37 G HN 0.569 nan 8.290 nan 0.000 0.571 38 G N 0.541 109.505 108.800 0.274 0.000 2.402 38 G HA2 -0.069 3.803 3.960 -0.147 0.000 0.216 38 G HA3 -0.069 3.803 3.960 -0.147 0.000 0.216 38 G C 1.745 176.861 174.900 0.359 0.000 1.162 38 G CA 1.023 46.325 45.100 0.337 0.000 0.777 38 G HN 0.448 nan 8.290 nan 0.000 0.539 39 L N 0.923 122.328 121.223 0.302 0.000 2.027 39 L HA 0.018 4.270 4.340 -0.147 0.000 0.206 39 L C 2.857 179.846 176.870 0.199 0.000 1.074 39 L CA 1.506 56.493 54.840 0.244 0.000 0.745 39 L CB -0.498 41.678 42.059 0.195 0.000 0.898 39 L HN 0.067 nan 8.230 nan 0.000 0.433 40 V N 0.336 120.364 119.914 0.189 0.000 2.407 40 V HA -0.178 3.854 4.120 -0.147 0.000 0.248 40 V C 2.679 178.841 176.094 0.113 0.000 1.055 40 V CA 1.624 64.004 62.300 0.134 0.000 1.049 40 V CB -1.834 30.102 31.823 0.188 0.000 0.662 40 V HN 0.632 nan 8.190 nan 0.000 0.455 41 G N 0.303 109.201 108.800 0.164 0.000 2.469 41 G HA2 -0.297 3.575 3.960 -0.147 0.000 0.219 41 G HA3 -0.297 3.575 3.960 -0.147 0.000 0.219 41 G C 1.586 176.549 174.900 0.104 0.000 1.150 41 G CA 1.313 46.479 45.100 0.111 0.000 0.763 41 G HN 0.456 nan 8.290 nan 0.000 0.561 42 L N 0.750 122.146 121.223 0.288 0.000 2.042 42 L HA 0.017 4.269 4.340 -0.147 0.000 0.210 42 L C 2.681 179.667 176.870 0.195 0.000 1.076 42 L CA 1.418 56.497 54.840 0.398 0.000 0.749 42 L CB -0.428 41.915 42.059 0.472 0.000 0.893 42 L HN 0.301 nan 8.230 nan 0.000 0.432 43 I N -1.383 119.222 120.570 0.058 0.000 2.179 43 I HA -0.294 3.787 4.170 -0.147 0.000 0.242 43 I C 2.653 178.501 176.117 -0.448 0.000 1.088 43 I CA 1.577 62.794 61.300 -0.140 0.000 1.357 43 I CB -0.513 37.384 38.000 -0.171 0.000 1.051 43 I HN 0.323 nan 8.210 nan 0.000 0.409 44 S N 0.224 115.714 115.700 -0.351 0.000 2.383 44 S HA -0.120 4.262 4.470 -0.147 0.000 0.227 44 S C 2.085 176.660 174.600 -0.042 0.000 1.026 44 S CA 1.101 59.123 58.200 -0.296 0.000 0.981 44 S CB -0.175 63.005 63.200 -0.034 0.000 0.818 44 S HN 0.218 nan 8.310 nan 0.000 0.472 45 V N 2.074 121.979 119.914 -0.015 0.000 2.343 45 V HA -0.136 3.896 4.120 -0.147 0.000 0.247 45 V C 2.815 178.883 176.094 -0.043 0.000 1.051 45 V CA 1.707 64.007 62.300 -0.000 0.000 1.036 45 V CB -1.280 30.535 31.823 -0.013 0.000 0.654 45 V HN 0.599 nan 8.190 nan 0.000 0.451 46 A N -0.227 122.593 122.820 0.001 0.000 1.940 46 A HA -0.203 4.029 4.320 -0.147 0.000 0.219 46 A C 2.049 179.708 177.584 0.124 0.000 1.176 46 A CA 1.802 53.814 52.037 -0.041 0.000 0.631 46 A CB -0.664 18.409 19.000 0.123 0.000 0.814 46 A HN 0.447 nan 8.150 nan 0.000 0.446 47 F N 1.170 121.100 119.950 -0.034 0.000 2.095 47 F HA -0.183 4.256 4.527 -0.147 0.000 0.298 47 F C 3.024 178.751 175.800 -0.121 0.000 1.104 47 F CA 1.586 59.566 58.000 -0.034 0.000 1.232 47 F CB -1.597 37.396 39.000 -0.012 0.000 0.987 47 F HN 0.448 nan 8.300 nan 0.000 0.475 48 T N -2.194 112.337 114.554 -0.038 0.000 2.867 48 T HA -0.098 4.164 4.350 -0.147 0.000 0.268 48 T C 2.098 176.738 174.700 -0.098 0.000 1.057 48 T CA 1.338 63.322 62.100 -0.194 0.000 1.136 48 T CB -1.026 67.655 68.868 -0.312 0.000 0.874 48 T HN 0.067 nan 8.240 nan 0.000 0.466 49 V N 0.359 120.212 119.914 -0.100 0.000 2.295 49 V HA -0.101 3.931 4.120 -0.147 0.000 0.246 49 V C 2.317 178.438 176.094 0.045 0.000 1.049 49 V CA 1.781 64.046 62.300 -0.058 0.000 1.024 49 V CB -0.960 30.631 31.823 -0.387 0.000 0.648 49 V HN 0.507 nan 8.190 nan 0.000 0.447 50 Y N 0.307 120.535 120.300 -0.120 0.000 2.145 50 Y HA -0.265 4.198 4.550 -0.146 0.000 0.286 50 Y C 2.479 178.333 175.900 -0.076 0.000 1.145 50 Y CA 1.783 59.799 58.100 -0.140 0.000 1.148 50 Y CB -0.443 37.948 38.460 -0.115 0.000 0.981 50 Y HN 0.180 nan 8.280 nan 0.000 0.507 51 M N -0.526 119.019 119.600 -0.092 0.000 2.082 51 M HA -0.283 4.109 4.480 -0.147 0.000 0.258 51 M C 2.098 178.480 176.300 0.137 0.000 1.069 51 M CA 1.831 57.110 55.300 -0.035 0.000 1.102 51 M CB -0.280 32.206 32.600 -0.192 0.000 1.336 51 M HN 0.033 nan 8.290 nan 0.000 0.404 52 R N -0.264 120.254 120.500 0.030 0.000 2.189 52 R HA 0.034 4.286 4.340 -0.147 0.000 0.218 52 R C 1.949 178.276 176.300 0.044 0.000 1.074 52 R CA 1.063 57.155 56.100 -0.014 0.000 0.991 52 R CB -0.581 29.597 30.300 -0.204 0.000 0.883 52 R HN 0.507 nan 8.270 nan 0.000 0.457 53 M N 0.290 119.907 119.600 0.029 0.000 2.067 53 M HA -0.180 4.212 4.480 -0.147 0.000 0.260 53 M C 2.120 178.279 176.300 -0.235 0.000 1.069 53 M CA 1.690 56.878 55.300 -0.186 0.000 1.117 53 M CB -0.221 31.942 32.600 -0.728 0.000 1.334 53 M HN -0.086 nan 8.290 nan 0.000 0.407 54 E N 0.728 120.778 120.200 -0.248 0.000 2.110 54 E HA -0.112 4.150 4.350 -0.147 0.000 0.193 54 E C 1.672 178.332 176.600 0.100 0.000 0.988 54 E CA 1.254 57.678 56.400 0.039 0.000 0.804 54 E CB -0.260 29.474 29.700 0.057 0.000 0.745 54 E HN 0.473 nan 8.360 nan 0.000 0.458 55 L N 0.141 121.437 121.223 0.121 0.000 2.492 55 L HA 0.075 4.327 4.340 -0.147 0.000 0.223 55 L C 2.369 179.386 176.870 0.245 0.000 1.132 55 L CA 0.254 55.213 54.840 0.198 0.000 0.850 55 L CB -0.298 41.837 42.059 0.127 0.000 0.966 55 L HN 0.299 nan 8.230 nan 0.000 0.454 56 M N 0.188 119.893 119.600 0.175 0.000 2.149 56 M HA -0.095 4.296 4.480 -0.147 0.000 0.261 56 M C 0.727 177.232 176.300 0.343 0.000 1.064 56 M CA 1.468 56.885 55.300 0.195 0.000 1.102 56 M CB 0.170 32.891 32.600 0.201 0.000 1.369 56 M HN 0.229 nan 8.290 nan 0.000 0.408 57 A N 0.541 123.538 122.820 0.295 0.000 2.475 57 A HA 0.726 4.958 4.320 -0.147 0.000 0.301 57 A C -2.672 174.912 177.584 0.001 0.000 1.059 57 A CA -1.550 50.617 52.037 0.218 0.000 0.710 57 A CB 0.867 19.963 19.000 0.160 0.000 1.288 57 A HN 0.166 nan 8.150 nan 0.000 0.408 58 P HA 0.437 nan 4.420 nan 0.000 0.272 58 P C 0.489 177.622 177.300 -0.278 0.000 1.230 58 P CA 1.346 64.134 63.100 -0.519 0.000 0.788 58 P CB 0.687 32.205 31.700 -0.304 0.000 0.949 59 G N -0.252 108.370 108.800 -0.296 0.000 2.722 59 G HA2 -0.074 3.798 3.960 -0.147 0.000 0.686 59 G HA3 -0.074 3.798 3.960 -0.147 0.000 0.686 59 G C -0.991 173.818 174.900 -0.152 0.000 1.282 59 G CA -0.701 44.293 45.100 -0.175 0.000 0.817 59 G HN 0.446 nan 8.290 nan 0.000 0.605 60 V N 2.232 122.078 119.914 -0.114 0.000 2.407 60 V HA 0.498 4.530 4.120 -0.147 0.000 0.278 60 V C 0.870 176.927 176.094 -0.062 0.000 1.037 60 V CA 0.366 62.625 62.300 -0.069 0.000 0.900 60 V CB 1.433 33.220 31.823 -0.059 0.000 0.983 60 V HN 0.871 nan 8.190 nan 0.000 0.459 61 Q N 2.339 122.108 119.800 -0.052 0.000 2.288 61 Q HA 0.343 4.595 4.340 -0.147 0.000 0.256 61 Q C 0.889 176.693 176.000 -0.326 0.000 0.835 61 Q CA 0.494 56.156 55.803 -0.235 0.000 0.958 61 Q CB 0.498 28.988 28.738 -0.415 0.000 1.125 61 Q HN 0.790 nan 8.270 nan 0.000 0.513 62 F N -0.726 119.262 119.950 0.064 0.000 2.490 62 F HA 0.297 4.736 4.527 -0.147 0.000 0.280 62 F C 0.815 176.771 175.800 0.261 0.000 1.030 62 F CA 0.172 58.272 58.000 0.167 0.000 1.367 62 F CB 0.407 39.439 39.000 0.053 0.000 1.131 62 F HN -0.121 nan 8.300 nan 0.000 0.632 63 M N 1.730 121.534 119.600 0.340 0.000 3.422 63 M HA 0.176 4.567 4.480 -0.147 0.000 0.248 63 M C -1.150 175.232 176.300 0.137 0.000 1.433 63 M CA -0.178 55.293 55.300 0.286 0.000 1.592 63 M CB -0.514 32.237 32.600 0.251 0.000 1.078 63 M HN 0.076 nan 8.290 nan 0.000 0.578 64 c N 0.646 119.267 118.600 0.035 0.000 2.330 64 c HA 0.486 4.968 4.570 -0.147 0.000 0.344 64 c C 1.937 175.936 174.090 -0.151 0.000 1.273 64 c CA -0.705 55.516 56.329 -0.180 0.000 1.879 64 c CB 0.696 42.906 42.510 -0.500 0.000 2.376 64 c HN 0.907 nan 8.230 nan 0.000 0.534 65 A N 1.959 124.735 122.820 -0.072 0.000 1.986 65 A HA -0.175 4.057 4.320 -0.147 0.000 0.220 65 A C 1.877 179.440 177.584 -0.037 0.000 1.171 65 A CA 1.830 53.853 52.037 -0.023 0.000 0.640 65 A CB -0.416 18.578 19.000 -0.010 0.000 0.811 65 A HN 0.927 nan 8.150 nan 0.000 0.451 66 E N -0.282 119.851 120.200 -0.112 0.000 2.171 66 E HA -0.200 4.062 4.350 -0.147 0.000 0.197 66 E C 1.649 178.268 176.600 0.030 0.000 0.997 66 E CA 1.449 57.806 56.400 -0.071 0.000 0.810 66 E CB -0.380 29.255 29.700 -0.108 0.000 0.738 66 E HN 0.745 nan 8.360 nan 0.000 0.467 67 H N -0.463 118.655 119.070 0.081 0.000 2.546 67 H HA 0.038 4.506 4.556 -0.147 0.000 0.277 67 H C 1.831 177.215 175.328 0.093 0.000 1.004 67 H CA 0.625 56.730 56.048 0.096 0.000 1.231 67 H CB -0.163 29.670 29.762 0.118 0.000 1.382 67 H HN 0.207 nan 8.280 nan 0.000 0.580 68 L N 0.390 121.716 121.223 0.172 0.000 2.109 68 L HA -0.083 4.169 4.340 -0.147 0.000 0.207 68 L C 2.826 179.759 176.870 0.106 0.000 1.086 68 L CA 1.387 56.303 54.840 0.127 0.000 0.760 68 L CB -0.641 41.471 42.059 0.088 0.000 0.910 68 L HN 0.324 nan 8.230 nan 0.000 0.437 69 E N 0.372 120.629 120.200 0.094 0.000 2.265 69 E HA -0.078 4.184 4.350 -0.147 0.000 0.196 69 E C 1.389 178.040 176.600 0.086 0.000 0.996 69 E CA 1.130 57.576 56.400 0.077 0.000 0.832 69 E CB -0.502 29.236 29.700 0.062 0.000 0.756 69 E HN 0.568 nan 8.360 nan 0.000 0.491 70 S N -0.735 115.032 115.700 0.111 0.000 2.625 70 S HA 0.536 4.918 4.470 -0.147 0.000 0.262 70 S C 1.179 175.842 174.600 0.105 0.000 1.223 70 S CA -0.466 57.799 58.200 0.108 0.000 0.993 70 S CB 0.949 64.227 63.200 0.129 0.000 1.051 70 S HN 0.690 nan 8.310 nan 0.000 0.562 71 G N -0.917 107.946 108.800 0.105 0.000 2.553 71 G HA2 0.455 4.327 3.960 -0.147 0.000 0.278 71 G HA3 0.455 4.327 3.960 -0.147 0.000 0.278 71 G C 1.192 176.170 174.900 0.129 0.000 1.349 71 G CA -0.156 45.006 45.100 0.103 0.000 1.037 71 G HN 0.749 nan 8.290 nan 0.000 0.508 72 L N -1.245 120.052 121.223 0.123 0.000 2.005 72 L HA 0.053 4.305 4.340 -0.147 0.000 0.207 72 L C 3.114 180.089 176.870 0.174 0.000 1.072 72 L CA 2.417 57.344 54.840 0.146 0.000 0.744 72 L CB -1.588 40.542 42.059 0.119 0.000 0.895 72 L HN 0.440 nan 8.230 nan 0.000 0.433 73 V N 0.461 120.473 119.914 0.164 0.000 2.283 73 V HA -0.181 3.851 4.120 -0.147 0.000 0.243 73 V C 3.296 179.630 176.094 0.399 0.000 1.039 73 V CA 2.582 65.030 62.300 0.247 0.000 1.016 73 V CB -1.114 30.842 31.823 0.222 0.000 0.650 73 V HN 0.817 nan 8.190 nan 0.000 0.449 74 K N 0.630 121.199 120.400 0.282 0.000 2.063 74 K HA -0.150 4.082 4.320 -0.147 0.000 0.208 74 K C 2.289 179.022 176.600 0.222 0.000 1.048 74 K CA 1.901 58.339 56.287 0.252 0.000 0.928 74 K CB -1.784 30.803 32.500 0.145 0.000 0.713 74 K HN 0.600 nan 8.250 nan 0.000 0.442 75 G N -0.016 108.897 108.800 0.188 0.000 2.440 75 G HA2 -0.180 3.691 3.960 -0.147 0.000 0.218 75 G HA3 -0.180 3.691 3.960 -0.147 0.000 0.218 75 G C 1.577 176.536 174.900 0.097 0.000 1.154 75 G CA 1.111 46.300 45.100 0.148 0.000 0.767 75 G HN 0.608 nan 8.290 nan 0.000 0.552 76 F N 0.892 120.840 119.950 -0.004 0.000 2.069 76 F HA -0.047 4.394 4.527 -0.144 0.000 0.298 76 F C 2.227 177.917 175.800 -0.183 0.000 1.113 76 F CA 1.539 59.455 58.000 -0.140 0.000 1.214 76 F CB -0.335 38.531 39.000 -0.223 0.000 0.978 76 F HN 0.106 nan 8.300 nan 0.000 0.474 77 F N 0.791 120.666 119.950 -0.125 0.000 2.234 77 F HA -0.116 4.323 4.527 -0.147 0.000 0.299 77 F C 2.543 178.226 175.800 -0.195 0.000 1.087 77 F CA 1.491 59.359 58.000 -0.220 0.000 1.340 77 F CB -0.844 38.166 39.000 0.016 0.000 1.031 77 F HN 0.081 nan 8.300 nan 0.000 0.500 78 Q N -0.441 119.338 119.800 -0.036 0.000 2.172 78 Q HA -0.134 4.118 4.340 -0.147 0.000 0.200 78 Q C 2.247 178.022 176.000 -0.375 0.000 0.964 78 Q CA 1.599 57.290 55.803 -0.187 0.000 0.855 78 Q CB -0.240 28.324 28.738 -0.291 0.000 0.918 78 Q HN 0.415 nan 8.270 nan 0.000 0.444 79 S N -0.155 115.283 115.700 -0.435 0.000 2.555 79 S HA 0.020 4.402 4.470 -0.147 0.000 0.230 79 S C 1.559 176.307 174.600 0.247 0.000 0.978 79 S CA 0.388 58.520 58.200 -0.114 0.000 0.934 79 S CB -0.057 63.155 63.200 0.020 0.000 0.766 79 S HN 0.276 nan 8.310 nan 0.000 0.533 80 L N -0.334 120.944 121.223 0.091 0.000 2.567 80 L HA 0.349 4.601 4.340 -0.147 0.000 0.225 80 L C 0.756 177.923 176.870 0.495 0.000 1.119 80 L CA -0.139 54.837 54.840 0.227 0.000 0.871 80 L CB 0.104 42.129 42.059 -0.058 0.000 1.036 80 L HN 0.493 nan 8.230 nan 0.000 0.459 81 W N 3.065 124.500 121.300 0.225 0.000 2.529 81 W HA 0.333 4.904 4.660 -0.147 0.000 0.321 81 W C -2.447 174.045 176.519 -0.045 0.000 1.047 81 W CA -1.930 55.503 57.345 0.147 0.000 1.216 81 W CB 2.065 31.563 29.460 0.062 0.000 1.357 81 W HN -0.238 nan 8.180 nan 0.000 0.489 82 P HA 0.100 nan 4.420 nan 0.000 0.271 82 P C -0.543 176.598 177.300 -0.265 0.000 1.216 82 P CA 0.178 62.781 63.100 -0.828 0.000 0.776 82 P CB 1.547 32.725 31.700 -0.868 0.000 0.881 83 S N 0.733 116.305 115.700 -0.213 0.000 2.690 83 S HA 0.620 5.002 4.470 -0.147 0.000 0.291 83 S C 0.121 174.664 174.600 -0.096 0.000 1.138 83 S CA -0.586 57.580 58.200 -0.056 0.000 1.013 83 S CB 1.277 64.476 63.200 -0.002 0.000 1.053 83 S HN 0.647 nan 8.310 nan 0.000 0.539 84 A N 1.153 123.947 122.820 -0.044 0.000 2.445 84 A HA 0.302 4.534 4.320 -0.147 0.000 0.242 84 A C 1.396 178.946 177.584 -0.055 0.000 1.075 84 A CA -0.438 51.571 52.037 -0.047 0.000 0.777 84 A CB -0.168 18.819 19.000 -0.021 0.000 1.013 84 A HN 0.688 nan 8.150 nan 0.000 0.493 85 V N 2.168 122.046 119.914 -0.060 0.000 2.278 85 V HA -0.294 3.738 4.120 -0.147 0.000 0.251 85 V C 2.644 178.710 176.094 -0.047 0.000 1.062 85 V CA 2.531 64.796 62.300 -0.059 0.000 1.038 85 V CB -0.984 30.804 31.823 -0.058 0.000 0.646 85 V HN 1.056 nan 8.190 nan 0.000 0.447 86 E N 0.383 120.561 120.200 -0.036 0.000 2.265 86 E HA -0.227 4.035 4.350 -0.147 0.000 0.196 86 E C 1.077 177.661 176.600 -0.026 0.000 0.996 86 E CA 1.427 57.810 56.400 -0.027 0.000 0.832 86 E CB -0.502 29.186 29.700 -0.020 0.000 0.756 86 E HN 0.653 nan 8.360 nan 0.000 0.491 87 N N 0.013 118.696 118.700 -0.028 0.000 2.203 87 N HA 0.061 4.713 4.740 -0.147 0.000 0.207 87 N C -0.684 174.797 175.510 -0.049 0.000 1.130 87 N CA 0.015 53.050 53.050 -0.025 0.000 0.861 87 N CB 0.611 39.095 38.487 -0.006 0.000 1.005 87 N HN 0.093 nan 8.380 nan 0.000 0.507 88 c N 1.770 120.334 118.600 -0.060 0.000 2.386 88 c HA 0.356 4.837 4.570 -0.147 0.000 0.318 88 c C 0.040 174.088 174.090 -0.071 0.000 1.128 88 c CA -0.363 55.915 56.329 -0.086 0.000 1.438 88 c CB -1.025 41.434 42.510 -0.085 0.000 1.987 88 c HN 0.168 nan 8.230 nan 0.000 0.426 89 T N 8.422 122.933 114.554 -0.072 0.000 2.738 89 T HA 0.224 4.486 4.350 -0.147 0.000 0.293 89 T C -2.460 172.215 174.700 -0.041 0.000 0.913 89 T CA -0.307 61.764 62.100 -0.049 0.000 1.103 89 T CB 0.540 69.385 68.868 -0.039 0.000 0.880 89 T HN 0.548 nan 8.240 nan 0.000 0.526 90 P HA 0.076 nan 4.420 nan 0.000 0.263 90 P C -0.156 177.148 177.300 0.008 0.000 1.195 90 P CA -0.132 62.955 63.100 -0.021 0.000 0.762 90 P CB 0.292 31.968 31.700 -0.042 0.000 0.799 91 N N 2.503 121.230 118.700 0.045 0.000 2.816 91 N HA 0.199 4.851 4.740 -0.147 0.000 0.236 91 N C 1.430 177.019 175.510 0.131 0.000 1.076 91 N CA -0.263 52.840 53.050 0.088 0.000 0.902 91 N CB -0.124 38.429 38.487 0.110 0.000 1.149 91 N HN 0.356 nan 8.380 nan 0.000 0.506 92 G N 0.675 109.540 108.800 0.108 0.000 2.448 92 G HA2 -0.286 3.586 3.960 -0.147 0.000 0.219 92 G HA3 -0.286 3.586 3.960 -0.147 0.000 0.219 92 G C 1.269 176.285 174.900 0.194 0.000 1.127 92 G CA 0.840 46.019 45.100 0.131 0.000 0.766 92 G HN 0.706 nan 8.290 nan 0.000 0.552 93 H N -0.109 119.018 119.070 0.094 0.000 2.353 93 H HA -0.001 4.467 4.556 -0.147 0.000 0.300 93 H C 2.318 177.694 175.328 0.080 0.000 1.090 93 H CA 1.456 57.549 56.048 0.075 0.000 1.327 93 H CB -0.174 29.611 29.762 0.038 0.000 1.383 93 H HN 0.220 nan 8.280 nan 0.000 0.508 94 L N 0.101 121.380 121.223 0.094 0.000 2.017 94 L HA -0.170 4.082 4.340 -0.147 0.000 0.208 94 L C 2.401 179.285 176.870 0.023 0.000 1.073 94 L CA 1.999 56.862 54.840 0.040 0.000 0.745 94 L CB -1.139 41.011 42.059 0.152 0.000 0.894 94 L HN 0.558 nan 8.230 nan 0.000 0.432 95 W N 0.670 121.956 121.300 -0.023 0.000 2.317 95 W HA -0.325 4.248 4.660 -0.145 0.000 0.318 95 W C 2.125 178.623 176.519 -0.034 0.000 1.227 95 W CA 2.129 59.464 57.345 -0.016 0.000 1.269 95 W CB -0.397 29.070 29.460 0.012 0.000 1.155 95 W HN 0.365 nan 8.180 nan 0.000 0.484 96 N N 0.407 119.135 118.700 0.047 0.000 2.244 96 N HA -0.151 4.501 4.740 -0.147 0.000 0.183 96 N C 1.721 177.112 175.510 -0.198 0.000 1.016 96 N CA 1.721 54.744 53.050 -0.045 0.000 0.866 96 N CB -0.982 37.516 38.487 0.019 0.000 0.980 96 N HN 0.076 nan 8.380 nan 0.000 0.430 97 V N 1.641 121.371 119.914 -0.307 0.000 2.295 97 V HA -0.185 3.847 4.120 -0.147 0.000 0.246 97 V C 2.362 178.296 176.094 -0.267 0.000 1.049 97 V CA 1.244 63.362 62.300 -0.303 0.000 1.024 97 V CB -0.352 31.250 31.823 -0.368 0.000 0.648 97 V HN 0.240 nan 8.190 nan 0.000 0.447 98 M N -1.089 118.302 119.600 -0.349 0.000 2.117 98 M HA -0.140 4.252 4.480 -0.147 0.000 0.262 98 M C 2.220 178.378 176.300 -0.237 0.000 1.065 98 M CA 1.915 56.967 55.300 -0.415 0.000 1.114 98 M CB -1.138 31.181 32.600 -0.469 0.000 1.361 98 M HN 0.272 nan 8.290 nan 0.000 0.408 99 I N 0.561 120.927 120.570 -0.340 0.000 2.179 99 I HA -0.221 3.861 4.170 -0.147 0.000 0.242 99 I C 2.403 178.550 176.117 0.051 0.000 1.088 99 I CA 1.565 62.766 61.300 -0.165 0.000 1.357 99 I CB -0.650 37.181 38.000 -0.282 0.000 1.051 99 I HN 0.292 nan 8.210 nan 0.000 0.409 100 T N -0.193 114.372 114.554 0.018 0.000 2.708 100 T HA -0.112 4.150 4.350 -0.147 0.000 0.266 100 T C 1.934 176.726 174.700 0.152 0.000 1.037 100 T CA 1.403 63.560 62.100 0.096 0.000 1.146 100 T CB -0.943 67.946 68.868 0.034 0.000 0.865 100 T HN 0.530 nan 8.240 nan 0.000 0.435 101 G N 0.848 109.733 108.800 0.142 0.000 2.446 101 G HA2 -0.320 3.552 3.960 -0.147 0.000 0.217 101 G HA3 -0.320 3.552 3.960 -0.147 0.000 0.217 101 G C 1.320 176.460 174.900 0.400 0.000 1.168 101 G CA 1.402 46.681 45.100 0.297 0.000 0.771 101 G HN 0.602 nan 8.290 nan 0.000 0.551 102 H N 0.956 120.227 119.070 0.335 0.000 2.289 102 H HA -0.044 4.424 4.556 -0.147 0.000 0.296 102 H C 2.659 178.036 175.328 0.082 0.000 1.091 102 H CA 2.352 58.534 56.048 0.222 0.000 1.274 102 H CB -0.809 29.055 29.762 0.170 0.000 1.364 102 H HN 0.216 nan 8.280 nan 0.000 0.490 103 G N 1.067 109.785 108.800 -0.138 0.000 2.421 103 G HA2 -0.178 3.694 3.960 -0.147 0.000 0.216 103 G HA3 -0.178 3.694 3.960 -0.147 0.000 0.216 103 G C 1.703 176.491 174.900 -0.187 0.000 1.171 103 G CA 0.921 45.812 45.100 -0.348 0.000 0.775 103 G HN 0.389 nan 8.290 nan 0.000 0.543 104 I N 1.000 121.668 120.570 0.163 0.000 2.127 104 I HA -0.119 3.963 4.170 -0.147 0.000 0.241 104 I C 2.913 179.253 176.117 0.372 0.000 1.075 104 I CA 0.974 62.509 61.300 0.391 0.000 1.334 104 I CB -1.166 37.084 38.000 0.416 0.000 1.040 104 I HN 0.161 nan 8.210 nan 0.000 0.405 105 L N -0.496 120.906 121.223 0.298 0.000 2.012 105 L HA -0.266 3.986 4.340 -0.147 0.000 0.210 105 L C 2.749 179.706 176.870 0.145 0.000 1.073 105 L CA 1.265 56.306 54.840 0.335 0.000 0.748 105 L CB -0.573 41.580 42.059 0.157 0.000 0.891 105 L HN 0.219 nan 8.230 nan 0.000 0.431 106 M N -1.068 118.473 119.600 -0.098 0.000 2.067 106 M HA -0.164 4.227 4.480 -0.147 0.000 0.260 106 M C 2.305 178.404 176.300 -0.335 0.000 1.069 106 M CA 1.797 56.956 55.300 -0.235 0.000 1.117 106 M CB -0.824 31.525 32.600 -0.419 0.000 1.334 106 M HN 0.241 nan 8.290 nan 0.000 0.407 107 M N -1.532 117.754 119.600 -0.523 0.000 2.394 107 M HA -0.042 4.350 4.480 -0.147 0.000 0.264 107 M C 1.684 177.473 176.300 -0.852 0.000 1.073 107 M CA 1.326 56.139 55.300 -0.811 0.000 1.111 107 M CB -0.970 30.855 32.600 -1.291 0.000 1.401 107 M HN 0.133 nan 8.290 nan 0.000 0.448 108 F N -2.094 117.661 119.950 -0.325 0.000 2.637 108 F HA 0.159 4.598 4.527 -0.146 0.000 0.284 108 F C 1.149 176.538 175.800 -0.685 0.000 1.105 108 F CA 0.172 57.800 58.000 -0.619 0.000 1.356 108 F CB 0.048 38.445 39.000 -1.005 0.000 1.096 108 F HN -0.112 nan 8.300 nan 0.000 0.616 109 F N -1.457 118.652 119.950 0.264 0.000 2.724 109 F HA 0.350 4.789 4.527 -0.147 0.000 0.310 109 F C 0.886 176.863 175.800 0.294 0.000 1.107 109 F CA -0.173 58.063 58.000 0.392 0.000 1.218 109 F CB -0.129 39.089 39.000 0.363 0.000 1.042 109 F HN -0.275 nan 8.300 nan 0.000 0.540 110 V N -1.224 118.809 119.914 0.199 0.000 3.927 110 V HA -0.013 4.019 4.120 -0.147 0.000 0.190 110 V C 1.977 178.079 176.094 0.014 0.000 1.201 110 V CA 0.802 63.175 62.300 0.121 0.000 1.324 110 V CB -0.053 31.807 31.823 0.062 0.000 1.545 110 V HN -0.045 nan 8.190 nan 0.000 0.534 111 V N -1.048 118.824 119.914 -0.070 0.000 2.548 111 V HA -0.036 3.996 4.120 -0.147 0.000 0.249 111 V C 2.018 178.067 176.094 -0.075 0.000 1.055 111 V CA 1.837 64.084 62.300 -0.088 0.000 1.065 111 V CB -0.626 31.115 31.823 -0.136 0.000 0.681 111 V HN 0.476 nan 8.190 nan 0.000 0.462 112 I N 0.275 120.779 120.570 -0.111 0.000 2.277 112 I HA 0.017 4.099 4.170 -0.147 0.000 0.243 112 I C -0.008 176.067 176.117 -0.069 0.000 1.094 112 I CA 1.029 62.272 61.300 -0.094 0.000 1.393 112 I CB -1.211 36.690 38.000 -0.165 0.000 1.078 112 I HN 0.301 nan 8.210 nan 0.000 0.417 113 P HA -0.226 nan 4.420 nan 0.000 0.217 113 P C 1.335 178.576 177.300 -0.099 0.000 1.151 113 P CA 1.938 64.909 63.100 -0.215 0.000 0.849 113 P CB -0.011 31.442 31.700 -0.412 0.000 0.787 114 A N -1.366 121.435 122.820 -0.033 0.000 1.874 114 A HA -0.079 4.153 4.320 -0.147 0.000 0.214 114 A C 2.194 179.755 177.584 -0.039 0.000 1.189 114 A CA 1.192 53.200 52.037 -0.048 0.000 0.615 114 A CB -1.405 17.578 19.000 -0.029 0.000 0.830 114 A HN 0.097 nan 8.150 nan 0.000 0.443 115 L N -2.572 118.706 121.223 0.092 0.000 2.049 115 L HA -0.006 4.246 4.340 -0.147 0.000 0.203 115 L C 2.434 179.483 176.870 0.300 0.000 1.074 115 L CA 1.379 56.389 54.840 0.282 0.000 0.749 115 L CB -0.412 41.791 42.059 0.240 0.000 0.907 115 L HN 0.485 nan 8.230 nan 0.000 0.439 116 F N 0.306 120.253 119.950 -0.004 0.000 2.123 116 F HA 0.074 4.512 4.527 -0.149 0.000 0.289 116 F C 2.267 177.951 175.800 -0.193 0.000 1.099 116 F CA 1.356 59.318 58.000 -0.063 0.000 1.234 116 F CB -0.661 38.272 39.000 -0.112 0.000 1.034 116 F HN -0.057 nan 8.300 nan 0.000 0.479 117 G N -0.488 108.113 108.800 -0.332 0.000 2.432 117 G HA2 -0.103 3.769 3.960 -0.147 0.000 0.219 117 G HA3 -0.103 3.769 3.960 -0.147 0.000 0.219 117 G C 1.664 176.231 174.900 -0.554 0.000 1.135 117 G CA 0.816 45.299 45.100 -1.028 0.000 0.767 117 G HN 0.634 nan 8.290 nan 0.000 0.550 118 G N 0.296 108.957 108.800 -0.233 0.000 2.670 118 G HA2 0.165 4.037 3.960 -0.147 0.000 0.219 118 G HA3 0.165 4.037 3.960 -0.147 0.000 0.219 118 G C 1.386 176.243 174.900 -0.071 0.000 1.342 118 G CA 0.342 45.353 45.100 -0.147 0.000 0.902 118 G HN 0.173 nan 8.290 nan 0.000 0.553 119 F N 2.156 122.203 119.950 0.163 0.000 2.171 119 F HA 0.070 4.510 4.527 -0.144 0.000 0.300 119 F C 2.862 178.899 175.800 0.395 0.000 1.090 119 F CA 0.661 58.824 58.000 0.271 0.000 1.293 119 F CB -0.890 38.292 39.000 0.303 0.000 1.013 119 F HN 0.211 nan 8.300 nan 0.000 0.486 120 G N 0.124 109.186 108.800 0.437 0.000 2.480 120 G HA2 -0.283 3.589 3.960 -0.147 0.000 0.216 120 G HA3 -0.283 3.589 3.960 -0.147 0.000 0.216 120 G C 1.771 176.677 174.900 0.010 0.000 1.200 120 G CA 0.996 46.167 45.100 0.118 0.000 0.782 120 G HN 0.253 nan 8.290 nan 0.000 0.554 121 N N -0.560 118.094 118.700 -0.077 0.000 2.166 121 N HA -0.107 4.544 4.740 -0.147 0.000 0.186 121 N C 1.888 177.439 175.510 0.068 0.000 1.019 121 N CA 1.039 54.070 53.050 -0.031 0.000 0.856 121 N CB -0.328 38.142 38.487 -0.030 0.000 0.993 121 N HN 0.429 nan 8.380 nan 0.000 0.426 122 Y N -0.081 120.147 120.300 -0.119 0.000 2.153 122 Y HA -0.093 4.368 4.550 -0.148 0.000 0.289 122 Y C 1.673 177.280 175.900 -0.489 0.000 1.127 122 Y CA 1.581 59.434 58.100 -0.411 0.000 1.131 122 Y CB -0.272 37.763 38.460 -0.708 0.000 0.995 122 Y HN -0.088 nan 8.280 nan 0.000 0.505 123 F N -2.084 117.897 119.950 0.053 0.000 2.582 123 F HA -0.017 4.423 4.527 -0.146 0.000 0.290 123 F C 2.275 177.923 175.800 -0.253 0.000 1.115 123 F CA 0.358 58.196 58.000 -0.270 0.000 1.445 123 F CB -0.392 38.094 39.000 -0.857 0.000 1.126 123 F HN 0.019 nan 8.300 nan 0.000 0.574 124 M N 1.429 121.131 119.600 0.169 0.000 2.086 124 M HA -0.094 4.298 4.480 -0.147 0.000 0.261 124 M C -0.979 175.343 176.300 0.037 0.000 1.067 124 M CA 2.204 57.586 55.300 0.138 0.000 1.116 124 M CB -1.664 30.982 32.600 0.076 0.000 1.348 124 M HN -0.088 nan 8.290 nan 0.000 0.407 125 P HA -0.128 nan 4.420 nan 0.000 0.215 125 P C 1.834 179.113 177.300 -0.035 0.000 1.153 125 P CA 1.327 64.308 63.100 -0.199 0.000 0.853 125 P CB -0.294 31.026 31.700 -0.633 0.000 0.788 126 L N -1.566 119.716 121.223 0.098 0.000 2.042 126 L HA -0.231 4.021 4.340 -0.147 0.000 0.210 126 L C 2.515 179.581 176.870 0.327 0.000 1.076 126 L CA 1.762 56.795 54.840 0.321 0.000 0.749 126 L CB -1.268 40.929 42.059 0.230 0.000 0.893 126 L HN 0.188 nan 8.230 nan 0.000 0.432 127 H N -0.099 119.102 119.070 0.219 0.000 2.457 127 H HA -0.068 4.401 4.556 -0.146 0.000 0.294 127 H C 2.050 177.404 175.328 0.043 0.000 1.064 127 H CA 1.206 57.385 56.048 0.219 0.000 1.330 127 H CB 0.162 30.146 29.762 0.369 0.000 1.395 127 H HN 0.481 nan 8.280 nan 0.000 0.541 128 I N -3.555 117.034 120.570 0.032 0.000 3.956 128 I HA 0.390 4.472 4.170 -0.147 0.000 0.333 128 I C 1.242 177.161 176.117 -0.330 0.000 1.302 128 I CA 0.398 61.589 61.300 -0.182 0.000 1.122 128 I CB 0.721 38.538 38.000 -0.305 0.000 1.013 128 I HN 0.139 nan 8.210 nan 0.000 0.405 129 G N 1.886 110.394 108.800 -0.487 0.000 2.160 129 G HA2 -0.221 3.651 3.960 -0.147 0.000 0.251 129 G HA3 -0.221 3.651 3.960 -0.147 0.000 0.251 129 G C 0.313 174.691 174.900 -0.870 0.000 1.008 129 G CA 0.111 44.525 45.100 -1.143 0.000 0.724 129 G HN 0.944 nan 8.290 nan 0.000 0.514 130 A N -0.095 122.465 122.820 -0.433 0.000 2.331 130 A HA 0.783 5.015 4.320 -0.147 0.000 0.283 130 A C -0.337 177.240 177.584 -0.012 0.000 1.142 130 A CA -0.801 51.101 52.037 -0.226 0.000 0.812 130 A CB 1.003 19.868 19.000 -0.224 0.000 1.074 130 A HN 0.076 nan 8.150 nan 0.000 0.497 131 P HA 0.016 nan 4.420 nan 0.000 0.219 131 P C 0.068 177.377 177.300 0.015 0.000 1.150 131 P CA 1.252 64.436 63.100 0.141 0.000 0.814 131 P CB 0.355 32.107 31.700 0.087 0.000 0.787 132 D N -3.684 116.642 120.400 -0.123 0.000 2.713 132 D HA 0.207 4.759 4.640 -0.147 0.000 0.306 132 D C -0.756 175.402 176.300 -0.237 0.000 1.299 132 D CA -0.543 53.342 54.000 -0.191 0.000 0.823 132 D CB 0.667 41.465 40.800 -0.003 0.000 1.353 132 D HN -0.346 nan 8.370 nan 0.000 0.447 133 M N 1.178 120.669 119.600 -0.182 0.000 2.240 133 M HA 0.309 4.700 4.480 -0.147 0.000 0.333 133 M C 1.412 177.605 176.300 -0.177 0.000 1.110 133 M CA -0.049 55.163 55.300 -0.146 0.000 1.173 133 M CB 0.569 33.139 32.600 -0.051 0.000 1.458 133 M HN 0.621 nan 8.290 nan 0.000 0.458 134 A N 2.623 125.271 122.820 -0.287 0.000 1.892 134 A HA -0.132 4.099 4.320 -0.147 0.000 0.218 134 A C 0.555 177.688 177.584 -0.753 0.000 1.188 134 A CA 1.758 53.423 52.037 -0.621 0.000 0.631 134 A CB -0.435 18.008 19.000 -0.929 0.000 0.822 134 A HN 0.643 nan 8.150 nan 0.000 0.447 135 F N -1.581 118.382 119.950 0.022 0.000 2.564 135 F HA 0.387 4.826 4.527 -0.147 0.000 0.361 135 F C -2.117 173.713 175.800 0.050 0.000 1.161 135 F CA -2.324 55.698 58.000 0.037 0.000 1.198 135 F CB 1.152 40.177 39.000 0.042 0.000 1.424 135 F HN -0.007 nan 8.300 nan 0.000 0.517 136 P HA -0.202 nan 4.420 nan 0.000 0.216 136 P C 1.315 178.709 177.300 0.156 0.000 1.150 136 P CA 1.616 64.792 63.100 0.127 0.000 0.837 136 P CB 0.227 31.980 31.700 0.089 0.000 0.786 137 R N -0.686 119.913 120.500 0.165 0.000 2.092 137 R HA -0.002 4.250 4.340 -0.147 0.000 0.231 137 R C 2.308 178.714 176.300 0.177 0.000 1.119 137 R CA 1.258 57.454 56.100 0.160 0.000 0.970 137 R CB -2.076 28.305 30.300 0.134 0.000 0.864 137 R HN 0.218 nan 8.270 nan 0.000 0.440 138 M N 0.925 120.639 119.600 0.190 0.000 2.175 138 M HA -0.104 4.288 4.480 -0.147 0.000 0.264 138 M C 1.490 177.913 176.300 0.204 0.000 1.063 138 M CA 1.708 57.112 55.300 0.173 0.000 1.119 138 M CB -0.139 32.550 32.600 0.149 0.000 1.377 138 M HN 0.182 nan 8.290 nan 0.000 0.415 139 N N 1.238 120.066 118.700 0.214 0.000 2.120 139 N HA -0.215 4.437 4.740 -0.147 0.000 0.188 139 N C 1.435 177.096 175.510 0.252 0.000 1.024 139 N CA 1.566 54.748 53.050 0.219 0.000 0.852 139 N CB -0.629 37.963 38.487 0.175 0.000 1.003 139 N HN 0.510 nan 8.380 nan 0.000 0.424 140 N N 0.262 119.102 118.700 0.233 0.000 2.166 140 N HA -0.154 4.498 4.740 -0.147 0.000 0.186 140 N C 1.784 177.518 175.510 0.373 0.000 1.019 140 N CA 0.769 53.983 53.050 0.274 0.000 0.856 140 N CB -0.127 38.525 38.487 0.275 0.000 0.993 140 N HN 0.223 nan 8.380 nan 0.000 0.426 141 L N 1.551 122.971 121.223 0.329 0.000 2.056 141 L HA -0.111 4.141 4.340 -0.147 0.000 0.207 141 L C 2.639 179.695 176.870 0.311 0.000 1.078 141 L CA 2.024 57.063 54.840 0.332 0.000 0.749 141 L CB -1.072 41.120 42.059 0.221 0.000 0.901 141 L HN 0.263 nan 8.230 nan 0.000 0.433 142 S N -1.324 114.552 115.700 0.293 0.000 2.374 142 S HA -0.342 4.040 4.470 -0.147 0.000 0.227 142 S C 2.172 176.992 174.600 0.367 0.000 1.037 142 S CA 1.519 59.915 58.200 0.326 0.000 1.024 142 S CB -1.294 62.114 63.200 0.345 0.000 0.861 142 S HN 0.612 nan 8.310 nan 0.000 0.456 143 Y N 0.851 121.244 120.300 0.156 0.000 2.145 143 Y HA -0.080 4.379 4.550 -0.152 0.000 0.286 143 Y C 1.910 177.701 175.900 -0.181 0.000 1.145 143 Y CA 1.505 59.475 58.100 -0.217 0.000 1.148 143 Y CB -0.732 37.414 38.460 -0.523 0.000 0.981 143 Y HN 0.343 nan 8.280 nan 0.000 0.507 144 W N -0.080 121.222 121.300 0.003 0.000 2.467 144 W HA -0.087 4.556 4.660 -0.028 0.000 0.275 144 W C 2.116 178.581 176.519 -0.091 0.000 1.239 144 W CA 0.810 58.090 57.345 -0.108 0.000 1.266 144 W CB -0.230 29.240 29.460 0.017 0.000 1.112 144 W HN 0.059 nan 8.180 nan 0.000 0.576 145 L N -1.094 120.257 121.223 0.213 0.000 2.072 145 L HA -0.240 4.012 4.340 -0.147 0.000 0.205 145 L C 2.406 179.399 176.870 0.204 0.000 1.079 145 L CA 1.125 56.082 54.840 0.195 0.000 0.752 145 L CB -1.195 40.990 42.059 0.210 0.000 0.906 145 L HN 0.030 nan 8.230 nan 0.000 0.436 146 Y N 0.798 121.139 120.300 0.067 0.000 2.114 146 Y HA -0.269 4.195 4.550 -0.144 0.000 0.282 146 Y C 2.321 178.213 175.900 -0.013 0.000 1.165 146 Y CA 1.712 59.874 58.100 0.103 0.000 1.148 146 Y CB -0.714 37.791 38.460 0.075 0.000 0.972 146 Y HN -0.125 nan 8.280 nan 0.000 0.504 147 V N 0.632 120.225 119.914 -0.535 0.000 2.427 147 V HA -0.263 3.769 4.120 -0.147 0.000 0.248 147 V C 2.745 178.685 176.094 -0.256 0.000 1.051 147 V CA 1.708 63.661 62.300 -0.579 0.000 1.048 147 V CB -1.612 29.883 31.823 -0.547 0.000 0.666 147 V HN 0.576 nan 8.190 nan 0.000 0.456 148 A N 0.576 123.348 122.820 -0.079 0.000 1.898 148 A HA -0.046 4.186 4.320 -0.147 0.000 0.216 148 A C 2.426 179.988 177.584 -0.035 0.000 1.181 148 A CA 1.821 53.845 52.037 -0.022 0.000 0.620 148 A CB -1.190 17.836 19.000 0.044 0.000 0.819 148 A HN 0.505 nan 8.150 nan 0.000 0.442 149 G N -0.850 107.972 108.800 0.037 0.000 2.421 149 G HA2 -0.179 3.693 3.960 -0.147 0.000 0.216 149 G HA3 -0.179 3.693 3.960 -0.147 0.000 0.216 149 G C 1.581 176.220 174.900 -0.434 0.000 1.171 149 G CA 1.698 46.860 45.100 0.103 0.000 0.775 149 G HN 0.427 nan 8.290 nan 0.000 0.543 150 T N 1.403 115.533 114.554 -0.706 0.000 2.720 150 T HA -0.132 4.130 4.350 -0.147 0.000 0.268 150 T C 2.831 177.224 174.700 -0.512 0.000 1.037 150 T CA 1.642 63.145 62.100 -0.994 0.000 1.144 150 T CB -0.316 68.145 68.868 -0.677 0.000 0.864 150 T HN 0.275 nan 8.240 nan 0.000 0.444 151 S N 1.291 116.811 115.700 -0.300 0.000 2.368 151 S HA 0.058 4.440 4.470 -0.147 0.000 0.225 151 S C 2.057 176.605 174.600 -0.086 0.000 1.030 151 S CA 0.798 58.907 58.200 -0.152 0.000 0.999 151 S CB -0.436 62.702 63.200 -0.103 0.000 0.844 151 S HN 0.356 nan 8.310 nan 0.000 0.459 152 L N 1.117 122.295 121.223 -0.076 0.000 2.056 152 L HA -0.105 4.147 4.340 -0.147 0.000 0.207 152 L C 2.884 179.758 176.870 0.005 0.000 1.078 152 L CA 1.185 56.033 54.840 0.013 0.000 0.749 152 L CB -0.936 41.172 42.059 0.081 0.000 0.901 152 L HN 0.332 nan 8.230 nan 0.000 0.433 153 A N 0.052 122.812 122.820 -0.100 0.000 1.892 153 A HA -0.187 4.045 4.320 -0.147 0.000 0.218 153 A C 2.320 179.906 177.584 0.002 0.000 1.188 153 A CA 2.150 54.149 52.037 -0.064 0.000 0.631 153 A CB -0.896 17.969 19.000 -0.225 0.000 0.822 153 A HN 0.219 nan 8.150 nan 0.000 0.447 154 V N -0.313 119.593 119.914 -0.014 0.000 2.358 154 V HA -0.202 3.830 4.120 -0.147 0.000 0.246 154 V C 3.044 179.278 176.094 0.233 0.000 1.047 154 V CA 1.826 64.197 62.300 0.118 0.000 1.035 154 V CB -1.289 30.595 31.823 0.102 0.000 0.658 154 V HN 0.630 nan 8.190 nan 0.000 0.452 155 A N 0.944 123.869 122.820 0.174 0.000 1.940 155 A HA -0.239 3.993 4.320 -0.147 0.000 0.219 155 A C 2.557 180.253 177.584 0.187 0.000 1.176 155 A CA 2.300 54.469 52.037 0.221 0.000 0.631 155 A CB -0.837 18.243 19.000 0.134 0.000 0.814 155 A HN 0.707 nan 8.150 nan 0.000 0.446 156 S N 0.113 115.875 115.700 0.102 0.000 2.419 156 S HA -0.132 4.250 4.470 -0.147 0.000 0.235 156 S C 1.765 176.343 174.600 -0.037 0.000 1.019 156 S CA 1.521 59.743 58.200 0.036 0.000 0.982 156 S CB -0.771 62.448 63.200 0.031 0.000 0.789 156 S HN 0.482 nan 8.310 nan 0.000 0.490 157 L N -1.027 120.140 121.223 -0.093 0.000 2.201 157 L HA 0.121 4.372 4.340 -0.147 0.000 0.212 157 L C 1.411 177.958 176.870 -0.539 0.000 1.105 157 L CA 1.023 55.646 54.840 -0.362 0.000 0.775 157 L CB -0.434 41.290 42.059 -0.558 0.000 0.913 157 L HN 0.307 nan 8.230 nan 0.000 0.440 158 F N -0.320 119.629 119.950 -0.003 0.000 2.653 158 F HA 0.378 4.817 4.527 -0.147 0.000 0.304 158 F C 1.062 176.843 175.800 -0.032 0.000 1.092 158 F CA -0.521 57.475 58.000 -0.008 0.000 1.279 158 F CB -0.101 38.899 39.000 0.000 0.000 1.044 158 F HN -0.146 nan 8.300 nan 0.000 0.564 159 A N 0.486 123.318 122.820 0.019 0.000 2.303 159 A HA 0.632 4.864 4.320 -0.147 0.000 0.317 159 A C -2.461 174.978 177.584 -0.243 0.000 1.149 159 A CA -1.848 50.099 52.037 -0.150 0.000 0.822 159 A CB 0.112 18.959 19.000 -0.255 0.000 1.131 159 A HN -0.117 nan 8.150 nan 0.000 0.493 160 P HA 0.157 nan 4.420 nan 0.000 0.258 160 P C 0.478 177.620 177.300 -0.264 0.000 1.172 160 P CA 1.144 64.091 63.100 -0.255 0.000 0.762 160 P CB 0.619 32.180 31.700 -0.231 0.000 0.764 161 G N 2.287 111.006 108.800 -0.134 0.000 3.183 161 G HA2 0.599 4.471 3.960 -0.147 0.000 0.247 161 G HA3 0.599 4.471 3.960 -0.147 0.000 0.247 161 G C -0.183 174.671 174.900 -0.076 0.000 1.211 161 G CA -0.450 44.607 45.100 -0.072 0.000 0.835 161 G HN 0.556 nan 8.290 nan 0.000 0.604 162 G N -0.645 108.154 108.800 -0.003 0.000 2.554 162 G HA2 0.329 4.201 3.960 -0.147 0.000 0.238 162 G HA3 0.329 4.201 3.960 -0.147 0.000 0.238 162 G C 0.463 175.142 174.900 -0.369 0.000 1.259 162 G CA 0.629 45.685 45.100 -0.074 0.000 0.843 162 G HN 0.888 nan 8.290 nan 0.000 0.582 163 N N -0.284 118.290 118.700 -0.211 0.000 2.714 163 N HA -0.243 4.409 4.740 -0.147 0.000 0.250 163 N C 1.402 176.789 175.510 -0.205 0.000 1.117 163 N CA 1.825 54.751 53.050 -0.208 0.000 0.719 163 N CB -1.247 37.097 38.487 -0.238 0.000 1.081 163 N HN 1.971 nan 8.380 nan 0.000 0.557 164 G N -0.574 108.126 108.800 -0.166 0.000 2.179 164 G HA2 -0.339 3.532 3.960 -0.147 0.000 0.257 164 G HA3 -0.339 3.532 3.960 -0.147 0.000 0.257 164 G C 0.062 174.887 174.900 -0.125 0.000 1.010 164 G CA 1.182 46.215 45.100 -0.112 0.000 0.736 164 G HN 0.607 nan 8.290 nan 0.000 0.513 165 Q N -1.493 118.179 119.800 -0.213 0.000 2.962 165 Q HA 0.775 5.027 4.340 -0.147 0.000 0.282 165 Q C 0.487 176.439 176.000 -0.080 0.000 1.058 165 Q CA -1.128 54.587 55.803 -0.145 0.000 0.854 165 Q CB 1.133 29.759 28.738 -0.188 0.000 1.441 165 Q HN 0.272 nan 8.270 nan 0.000 0.497 166 L N 0.439 121.672 121.223 0.016 0.000 2.379 166 L HA 0.645 4.897 4.340 -0.147 0.000 0.269 166 L C 0.526 177.461 176.870 0.108 0.000 1.084 166 L CA -0.293 54.558 54.840 0.019 0.000 0.802 166 L CB 0.692 42.750 42.059 -0.002 0.000 1.175 166 L HN 0.884 nan 8.230 nan 0.000 0.448 167 G N 1.544 110.352 108.800 0.013 0.000 2.758 167 G HA2 -0.175 3.697 3.960 -0.147 0.000 0.686 167 G HA3 -0.175 3.697 3.960 -0.147 0.000 0.686 167 G C -0.640 174.291 174.900 0.052 0.000 1.389 167 G CA -0.806 44.282 45.100 -0.020 0.000 0.845 167 G HN 0.555 nan 8.290 nan 0.000 0.572 168 S N 0.251 115.936 115.700 -0.026 0.000 2.422 168 S HA 0.596 4.978 4.470 -0.147 0.000 0.298 168 S C 0.829 175.382 174.600 -0.078 0.000 1.118 168 S CA 0.224 58.420 58.200 -0.007 0.000 1.083 168 S CB 1.730 64.921 63.200 -0.015 0.000 0.971 168 S HN 1.743 nan 8.310 nan 0.000 0.478 169 G N 2.276 111.028 108.800 -0.080 0.000 3.714 169 G HA2 0.445 4.317 3.960 -0.147 0.000 0.276 169 G HA3 0.445 4.317 3.960 -0.147 0.000 0.276 169 G C 0.488 175.378 174.900 -0.016 0.000 1.058 169 G CA -0.546 44.475 45.100 -0.131 0.000 1.700 169 G HN 0.858 nan 8.290 nan 0.000 0.605 170 I N -1.913 118.649 120.570 -0.014 0.000 4.338 170 I HA 0.535 4.617 4.170 -0.147 0.000 0.329 170 I C 0.717 176.817 176.117 -0.028 0.000 1.378 170 I CA -0.184 61.110 61.300 -0.010 0.000 1.170 170 I CB 0.396 38.381 38.000 -0.025 0.000 1.206 170 I HN 0.385 nan 8.210 nan 0.000 0.432 171 G N 2.195 110.996 108.800 0.002 0.000 2.722 171 G HA2 -0.271 3.601 3.960 -0.147 0.000 0.686 171 G HA3 -0.271 3.601 3.960 -0.147 0.000 0.686 171 G C 0.030 174.947 174.900 0.027 0.000 1.282 171 G CA -0.047 45.060 45.100 0.013 0.000 0.817 171 G HN 0.650 nan 8.290 nan 0.000 0.605 172 W N 1.088 122.366 121.300 -0.038 0.000 2.421 172 W HA 0.015 4.586 4.660 -0.149 0.000 0.270 172 W C 1.451 177.979 176.519 0.014 0.000 1.233 172 W CA 1.998 59.347 57.345 0.005 0.000 1.226 172 W CB -1.155 28.301 29.460 -0.007 0.000 1.121 172 W HN 1.115 nan 8.180 nan 0.000 0.579 173 V N -0.572 118.905 119.914 -0.729 0.000 3.647 173 V HA 0.190 4.222 4.120 -0.147 0.000 0.279 173 V C 1.421 177.382 176.094 -0.221 0.000 1.314 173 V CA 0.199 62.038 62.300 -0.768 0.000 1.125 173 V CB -1.073 30.106 31.823 -1.074 0.000 0.907 173 V HN 0.199 nan 8.190 nan 0.000 0.434 174 L N -1.622 119.497 121.223 -0.173 0.000 3.717 174 L HA -0.213 4.039 4.340 -0.147 0.000 0.414 174 L C -0.131 176.612 176.870 -0.211 0.000 1.228 174 L CA -0.013 54.743 54.840 -0.141 0.000 0.918 174 L CB -2.733 39.238 42.059 -0.146 0.000 1.865 174 L HN 0.333 nan 8.230 nan 0.000 0.922 175 Y N 1.450 121.568 120.300 -0.303 0.000 2.805 175 Y HA 0.138 4.600 4.550 -0.147 0.000 0.331 175 Y C -1.121 174.544 175.900 -0.393 0.000 1.241 175 Y CA -1.910 55.980 58.100 -0.350 0.000 1.546 175 Y CB -0.151 38.243 38.460 -0.111 0.000 1.248 175 Y HN 0.106 nan 8.280 nan 0.000 0.559 176 P HA 0.230 nan 4.420 nan 0.000 0.281 176 P C -2.324 174.914 177.300 -0.102 0.000 1.264 176 P CA -2.037 60.910 63.100 -0.255 0.000 0.824 176 P CB 1.278 32.776 31.700 -0.337 0.000 1.092 177 P HA -0.007 nan 4.420 nan 0.000 0.233 177 P C 1.566 178.864 177.300 -0.002 0.000 1.167 177 P CA 0.233 63.337 63.100 0.008 0.000 0.770 177 P CB -0.140 31.583 31.700 0.039 0.000 0.837 178 L N 0.803 122.028 121.223 0.003 0.000 2.012 178 L HA -0.219 4.032 4.340 -0.147 0.000 0.210 178 L C 2.219 179.078 176.870 -0.019 0.000 1.073 178 L CA 2.514 57.359 54.840 0.009 0.000 0.748 178 L CB -1.365 40.714 42.059 0.033 0.000 0.891 178 L HN 0.018 nan 8.230 nan 0.000 0.431 179 S N -2.259 113.402 115.700 -0.064 0.000 2.402 179 S HA -0.174 4.208 4.470 -0.147 0.000 0.229 179 S C 1.851 176.409 174.600 -0.069 0.000 1.021 179 S CA 1.284 59.431 58.200 -0.088 0.000 0.974 179 S CB -1.448 61.650 63.200 -0.170 0.000 0.800 179 S HN 0.687 nan 8.310 nan 0.000 0.484 180 T N 0.370 114.891 114.554 -0.054 0.000 2.985 180 T HA 0.051 4.313 4.350 -0.147 0.000 0.266 180 T C 1.892 176.587 174.700 -0.008 0.000 1.076 180 T CA 0.986 63.077 62.100 -0.016 0.000 1.135 180 T CB -0.516 68.372 68.868 0.033 0.000 0.890 180 T HN 0.614 nan 8.240 nan 0.000 0.480 181 S N 0.134 115.831 115.700 -0.004 0.000 2.535 181 S HA 0.197 4.579 4.470 -0.147 0.000 0.214 181 S C 0.490 175.090 174.600 -0.000 0.000 0.980 181 S CA -0.447 57.753 58.200 0.001 0.000 0.907 181 S CB -0.336 62.870 63.200 0.010 0.000 0.790 181 S HN 0.537 nan 8.310 nan 0.000 0.510 182 E N 3.402 123.601 120.200 -0.002 0.000 2.480 182 E HA 0.196 4.458 4.350 -0.147 0.000 0.258 182 E C 0.312 176.910 176.600 -0.005 0.000 0.984 182 E CA 0.008 56.411 56.400 0.004 0.000 0.930 182 E CB 0.485 30.191 29.700 0.010 0.000 0.936 182 E HN 0.529 nan 8.360 nan 0.000 0.466 183 S N 3.225 118.919 115.700 -0.010 0.000 2.617 183 S HA 0.669 5.051 4.470 -0.147 0.000 0.259 183 S C 0.888 175.475 174.600 -0.021 0.000 1.301 183 S CA -0.504 57.688 58.200 -0.013 0.000 0.984 183 S CB 0.881 64.069 63.200 -0.020 0.000 0.954 183 S HN 1.133 nan 8.310 nan 0.000 0.572 184 G N 0.420 109.218 108.800 -0.003 0.000 2.752 184 G HA2 -0.229 3.643 3.960 -0.147 0.000 0.234 184 G HA3 -0.229 3.643 3.960 -0.147 0.000 0.234 184 G C -0.139 174.788 174.900 0.044 0.000 1.367 184 G CA 0.388 45.482 45.100 -0.009 0.000 0.879 184 G HN 1.870 nan 8.290 nan 0.000 0.563 185 Y N -1.988 118.315 120.300 0.006 0.000 2.531 185 Y HA 0.604 5.065 4.550 -0.148 0.000 0.249 185 Y C 2.374 178.281 175.900 0.011 0.000 1.168 185 Y CA 0.760 58.862 58.100 0.004 0.000 1.226 185 Y CB -0.330 38.144 38.460 0.024 0.000 1.177 185 Y HN 0.806 nan 8.280 nan 0.000 0.527 186 S N 0.969 116.531 115.700 -0.231 0.000 2.372 186 S HA -0.252 4.129 4.470 -0.147 0.000 0.227 186 S C 1.824 176.404 174.600 -0.034 0.000 1.044 186 S CA 2.602 60.725 58.200 -0.129 0.000 1.050 186 S CB -0.734 62.390 63.200 -0.128 0.000 0.901 186 S HN 0.662 nan 8.310 nan 0.000 0.447 187 T N 1.925 116.456 114.554 -0.037 0.000 2.833 187 T HA -0.080 4.182 4.350 -0.147 0.000 0.269 187 T C 1.388 176.035 174.700 -0.089 0.000 1.054 187 T CA 1.450 63.520 62.100 -0.051 0.000 1.135 187 T CB -0.490 68.346 68.868 -0.054 0.000 0.869 187 T HN 0.535 nan 8.240 nan 0.000 0.466 188 D N 1.302 121.657 120.400 -0.074 0.000 2.117 188 D HA 0.007 4.559 4.640 -0.147 0.000 0.198 188 D C 2.213 178.376 176.300 -0.230 0.000 0.982 188 D CA 0.745 54.614 54.000 -0.218 0.000 0.828 188 D CB -0.258 40.475 40.800 -0.111 0.000 0.967 188 D HN 0.335 nan 8.370 nan 0.000 0.464 189 L N 1.084 122.351 121.223 0.072 0.000 2.079 189 L HA -0.177 4.074 4.340 -0.147 0.000 0.210 189 L C 2.678 179.610 176.870 0.104 0.000 1.081 189 L CA 1.092 56.050 54.840 0.196 0.000 0.752 189 L CB -0.485 41.699 42.059 0.208 0.000 0.896 189 L HN -0.018 nan 8.230 nan 0.000 0.433 190 A N 0.261 123.092 122.820 0.018 0.000 1.902 190 A HA -0.164 4.068 4.320 -0.147 0.000 0.217 190 A C 2.205 179.750 177.584 -0.064 0.000 1.181 190 A CA 1.450 53.488 52.037 0.001 0.000 0.623 190 A CB -0.579 18.413 19.000 -0.012 0.000 0.818 190 A HN 0.350 nan 8.150 nan 0.000 0.443 191 I N -1.588 118.883 120.570 -0.165 0.000 2.252 191 I HA -0.217 3.865 4.170 -0.147 0.000 0.245 191 I C 2.140 178.155 176.117 -0.169 0.000 1.102 191 I CA 1.080 62.217 61.300 -0.272 0.000 1.385 191 I CB -0.336 37.452 38.000 -0.354 0.000 1.064 191 I HN 0.267 nan 8.210 nan 0.000 0.414 192 F N 1.065 121.055 119.950 0.067 0.000 2.134 192 F HA -0.183 4.261 4.527 -0.137 0.000 0.299 192 F C 2.639 178.507 175.800 0.113 0.000 1.097 192 F CA 0.984 59.073 58.000 0.148 0.000 1.264 192 F CB -1.384 37.694 39.000 0.130 0.000 1.001 192 F HN 0.011 nan 8.300 nan 0.000 0.479 193 A N 0.166 123.136 122.820 0.250 0.000 1.892 193 A HA -0.186 4.046 4.320 -0.147 0.000 0.218 193 A C 2.431 180.167 177.584 0.253 0.000 1.188 193 A CA 2.369 54.551 52.037 0.241 0.000 0.631 193 A CB -1.307 17.807 19.000 0.190 0.000 0.822 193 A HN 0.189 nan 8.150 nan 0.000 0.447 194 V N -0.491 119.400 119.914 -0.038 0.000 2.427 194 V HA -0.241 3.791 4.120 -0.147 0.000 0.248 194 V C 2.444 178.405 176.094 -0.223 0.000 1.051 194 V CA 2.022 64.081 62.300 -0.402 0.000 1.048 194 V CB -1.120 30.263 31.823 -0.733 0.000 0.666 194 V HN 0.634 nan 8.190 nan 0.000 0.456 195 H N 0.087 119.136 119.070 -0.035 0.000 2.319 195 H HA -0.124 4.344 4.556 -0.147 0.000 0.297 195 H C 2.327 177.697 175.328 0.070 0.000 1.097 195 H CA 1.965 58.032 56.048 0.032 0.000 1.285 195 H CB -0.393 29.450 29.762 0.135 0.000 1.368 195 H HN 0.325 nan 8.280 nan 0.000 0.495 196 L N -0.286 121.095 121.223 0.262 0.000 2.017 196 L HA -0.189 4.063 4.340 -0.147 0.000 0.208 196 L C 2.848 179.862 176.870 0.241 0.000 1.073 196 L CA 1.419 56.397 54.840 0.230 0.000 0.745 196 L CB -0.549 41.647 42.059 0.229 0.000 0.894 196 L HN 0.204 nan 8.230 nan 0.000 0.432 197 S N 0.235 116.084 115.700 0.249 0.000 2.359 197 S HA -0.175 4.207 4.470 -0.147 0.000 0.224 197 S C 2.071 176.753 174.600 0.137 0.000 1.035 197 S CA 1.589 59.907 58.200 0.197 0.000 1.018 197 S CB -0.618 62.547 63.200 -0.059 0.000 0.876 197 S HN 0.511 nan 8.310 nan 0.000 0.448 198 G N 0.717 109.564 108.800 0.078 0.000 2.440 198 G HA2 -0.051 3.821 3.960 -0.147 0.000 0.218 198 G HA3 -0.051 3.821 3.960 -0.147 0.000 0.218 198 G C 1.704 176.667 174.900 0.104 0.000 1.154 198 G CA 1.076 46.219 45.100 0.073 0.000 0.767 198 G HN 0.751 nan 8.290 nan 0.000 0.552 199 A N 0.679 123.576 122.820 0.128 0.000 1.877 199 A HA -0.032 4.200 4.320 -0.147 0.000 0.216 199 A C 2.657 180.330 177.584 0.148 0.000 1.186 199 A CA 2.376 54.488 52.037 0.125 0.000 0.620 199 A CB -1.012 18.062 19.000 0.124 0.000 0.822 199 A HN 0.489 nan 8.150 nan 0.000 0.443 200 S N -0.212 115.602 115.700 0.191 0.000 2.365 200 S HA -0.179 4.203 4.470 -0.147 0.000 0.225 200 S C 2.222 176.951 174.600 0.216 0.000 1.039 200 S CA 2.248 60.594 58.200 0.242 0.000 1.033 200 S CB -0.489 62.904 63.200 0.322 0.000 0.887 200 S HN 0.574 nan 8.310 nan 0.000 0.447 201 S N 1.120 116.917 115.700 0.160 0.000 2.368 201 S HA 0.031 4.413 4.470 -0.147 0.000 0.225 201 S C 1.786 176.453 174.600 0.110 0.000 1.030 201 S CA 1.419 59.683 58.200 0.106 0.000 0.999 201 S CB -0.470 62.738 63.200 0.013 0.000 0.844 201 S HN 0.538 nan 8.310 nan 0.000 0.459 202 I N 1.546 122.173 120.570 0.096 0.000 2.179 202 I HA -0.181 3.901 4.170 -0.147 0.000 0.242 202 I C 2.088 178.259 176.117 0.090 0.000 1.088 202 I CA 1.081 62.426 61.300 0.076 0.000 1.357 202 I CB -0.360 37.679 38.000 0.065 0.000 1.051 202 I HN 0.231 nan 8.210 nan 0.000 0.409 203 L N 0.179 121.469 121.223 0.112 0.000 2.042 203 L HA -0.185 4.067 4.340 -0.147 0.000 0.210 203 L C 2.664 179.626 176.870 0.152 0.000 1.076 203 L CA 1.693 56.602 54.840 0.115 0.000 0.749 203 L CB -1.374 40.766 42.059 0.135 0.000 0.893 203 L HN 0.364 nan 8.230 nan 0.000 0.432 204 G N -0.380 108.544 108.800 0.206 0.000 2.418 204 G HA2 -0.238 3.634 3.960 -0.147 0.000 0.217 204 G HA3 -0.238 3.634 3.960 -0.147 0.000 0.217 204 G C 1.771 176.827 174.900 0.260 0.000 1.158 204 G CA 0.825 46.068 45.100 0.237 0.000 0.771 204 G HN 0.476 nan 8.290 nan 0.000 0.545 205 A N 0.777 123.775 122.820 0.296 0.000 1.930 205 A HA 0.064 4.296 4.320 -0.147 0.000 0.217 205 A C 2.341 179.938 177.584 0.023 0.000 1.175 205 A CA 1.226 53.379 52.037 0.193 0.000 0.627 205 A CB -0.247 18.775 19.000 0.037 0.000 0.815 205 A HN 0.272 nan 8.150 nan 0.000 0.443 206 I N 0.698 121.291 120.570 0.038 0.000 2.099 206 I HA -0.244 3.838 4.170 -0.147 0.000 0.239 206 I C 2.242 178.446 176.117 0.144 0.000 1.066 206 I CA 1.513 62.837 61.300 0.040 0.000 1.324 206 I CB -1.761 36.257 38.000 0.030 0.000 1.037 206 I HN 0.321 nan 8.210 nan 0.000 0.401 207 N N 0.607 119.425 118.700 0.197 0.000 2.061 207 N HA -0.189 4.463 4.740 -0.147 0.000 0.193 207 N C 1.794 177.360 175.510 0.094 0.000 1.030 207 N CA 1.439 54.615 53.050 0.210 0.000 0.856 207 N CB -0.183 38.409 38.487 0.175 0.000 1.023 207 N HN 0.229 nan 8.380 nan 0.000 0.424 208 M N 0.067 119.697 119.600 0.051 0.000 2.159 208 M HA -0.071 4.321 4.480 -0.147 0.000 0.263 208 M C 2.230 178.609 176.300 0.132 0.000 1.063 208 M CA 0.928 56.250 55.300 0.036 0.000 1.110 208 M CB -0.846 31.748 32.600 -0.010 0.000 1.374 208 M HN 0.125 nan 8.290 nan 0.000 0.411 209 I N -0.168 120.444 120.570 0.070 0.000 2.233 209 I HA -0.229 3.852 4.170 -0.147 0.000 0.243 209 I C 2.339 178.593 176.117 0.227 0.000 1.093 209 I CA 1.225 62.598 61.300 0.122 0.000 1.380 209 I CB -0.428 37.369 38.000 -0.338 0.000 1.067 209 I HN 0.283 nan 8.210 nan 0.000 0.413 210 T N -0.074 114.570 114.554 0.150 0.000 2.643 210 T HA -0.185 4.077 4.350 -0.147 0.000 0.264 210 T C 1.899 176.627 174.700 0.048 0.000 1.045 210 T CA 2.142 64.320 62.100 0.130 0.000 1.155 210 T CB -0.555 68.416 68.868 0.172 0.000 0.863 210 T HN 0.330 nan 8.240 nan 0.000 0.420 211 T N 1.872 116.426 114.554 -0.000 0.000 2.624 211 T HA -0.144 4.118 4.350 -0.147 0.000 0.268 211 T C 1.567 176.248 174.700 -0.033 0.000 1.041 211 T CA 1.492 63.555 62.100 -0.060 0.000 1.159 211 T CB -0.667 68.154 68.868 -0.078 0.000 0.863 211 T HN 0.339 nan 8.240 nan 0.000 0.434 212 F N 1.069 120.947 119.950 -0.120 0.000 2.171 212 F HA 0.003 4.442 4.527 -0.148 0.000 0.300 212 F C 1.927 177.563 175.800 -0.273 0.000 1.090 212 F CA 1.137 58.990 58.000 -0.246 0.000 1.293 212 F CB -0.232 38.566 39.000 -0.337 0.000 1.013 212 F HN 0.074 nan 8.300 nan 0.000 0.486 213 L N -0.535 120.754 121.223 0.110 0.000 2.162 213 L HA -0.099 4.153 4.340 -0.147 0.000 0.205 213 L C 1.683 178.540 176.870 -0.021 0.000 1.086 213 L CA 0.778 55.666 54.840 0.081 0.000 0.778 213 L CB -0.451 41.750 42.059 0.237 0.000 0.928 213 L HN 0.101 nan 8.230 nan 0.000 0.446 214 N N -0.822 117.857 118.700 -0.034 0.000 2.454 214 N HA 0.106 4.758 4.740 -0.147 0.000 0.177 214 N C 1.273 176.719 175.510 -0.107 0.000 1.049 214 N CA 0.756 53.773 53.050 -0.056 0.000 0.887 214 N CB 0.357 38.821 38.487 -0.039 0.000 1.095 214 N HN 0.243 nan 8.380 nan 0.000 0.446 215 M N 0.402 119.914 119.600 -0.146 0.000 2.560 215 M HA 0.228 4.620 4.480 -0.147 0.000 0.297 215 M C -0.160 176.012 176.300 -0.215 0.000 1.201 215 M CA -0.198 55.002 55.300 -0.166 0.000 0.973 215 M CB 0.755 33.256 32.600 -0.166 0.000 1.401 215 M HN -0.165 nan 8.290 nan 0.000 0.497 216 R N 1.231 121.579 120.500 -0.254 0.000 2.734 216 R HA 0.367 4.619 4.340 -0.147 0.000 0.266 216 R C 0.371 176.530 176.300 -0.236 0.000 1.044 216 R CA -0.180 55.744 56.100 -0.294 0.000 1.128 216 R CB 0.537 30.629 30.300 -0.347 0.000 1.010 216 R HN 0.266 nan 8.270 nan 0.000 0.461 217 A N 4.434 127.098 122.820 -0.261 0.000 2.445 217 A HA 0.222 4.454 4.320 -0.147 0.000 0.242 217 A C -2.006 175.484 177.584 -0.156 0.000 1.075 217 A CA -1.216 50.688 52.037 -0.222 0.000 0.777 217 A CB -0.205 18.631 19.000 -0.274 0.000 1.013 217 A HN 0.425 nan 8.150 nan 0.000 0.493 218 P HA 0.220 nan 4.420 nan 0.000 0.261 218 P C 1.083 178.337 177.300 -0.076 0.000 1.183 218 P CA 1.932 64.983 63.100 -0.081 0.000 0.761 218 P CB 0.515 32.180 31.700 -0.059 0.000 0.785 219 G N 2.968 111.728 108.800 -0.066 0.000 2.258 219 G HA2 -0.308 3.564 3.960 -0.147 0.000 0.233 219 G HA3 -0.308 3.564 3.960 -0.147 0.000 0.233 219 G C 0.324 175.184 174.900 -0.067 0.000 1.006 219 G CA 0.085 45.152 45.100 -0.056 0.000 0.620 219 G HN 0.569 nan 8.290 nan 0.000 0.511 220 M N 3.320 122.861 119.600 -0.099 0.000 3.070 220 M HA 0.542 4.934 4.480 -0.147 0.000 0.275 220 M C 0.877 177.105 176.300 -0.120 0.000 1.510 220 M CA 0.472 55.699 55.300 -0.122 0.000 1.608 220 M CB -0.413 32.078 32.600 -0.182 0.000 1.266 220 M HN 0.303 nan 8.290 nan 0.000 0.514 221 T N 2.369 116.884 114.554 -0.065 0.000 2.828 221 T HA 0.188 4.450 4.350 -0.147 0.000 0.290 221 T C 1.236 175.938 174.700 0.003 0.000 1.019 221 T CA -0.451 61.633 62.100 -0.027 0.000 1.031 221 T CB 0.776 69.652 68.868 0.014 0.000 1.001 221 T HN 0.799 nan 8.240 nan 0.000 0.531 222 M N 2.340 121.979 119.600 0.066 0.000 2.106 222 M HA -0.070 4.322 4.480 -0.147 0.000 0.259 222 M C 2.443 179.002 176.300 0.432 0.000 1.068 222 M CA 2.704 58.127 55.300 0.204 0.000 1.100 222 M CB -0.779 32.010 32.600 0.316 0.000 1.351 222 M HN 0.940 nan 8.290 nan 0.000 0.404 223 H N -1.301 117.966 119.070 0.327 0.000 2.553 223 H HA 0.402 4.870 4.556 -0.147 0.000 0.269 223 H C 1.783 177.225 175.328 0.190 0.000 1.011 223 H CA 1.281 57.545 56.048 0.360 0.000 1.150 223 H CB -0.969 28.922 29.762 0.215 0.000 1.339 223 H HN 0.537 nan 8.280 nan 0.000 0.604 224 K N 0.147 120.634 120.400 0.145 0.000 2.402 224 K HA 0.550 4.782 4.320 -0.147 0.000 0.204 224 K C 0.550 177.193 176.600 0.073 0.000 1.056 224 K CA 0.536 56.830 56.287 0.012 0.000 1.069 224 K CB -0.387 nan 32.500 nan 0.000 0.888 224 K HN 0.375 nan 8.250 nan 0.000 0.546 225 V N 3.536 123.570 119.914 0.200 0.000 2.572 225 V HA 0.175 4.207 4.120 -0.147 0.000 0.291 225 V C -2.372 173.985 176.094 0.438 0.000 1.039 225 V CA -1.715 60.669 62.300 0.139 0.000 1.055 225 V CB 1.194 32.882 31.823 -0.224 0.000 0.969 225 V HN 0.302 nan 8.190 nan 0.000 0.482 226 P HA 0.161 nan 4.420 nan 0.000 0.269 226 P C 1.007 178.750 177.300 0.738 0.000 1.209 226 P CA -0.180 63.206 63.100 0.477 0.000 0.776 226 P CB 0.600 32.492 31.700 0.320 0.000 0.876 227 L N 1.201 122.902 121.223 0.797 0.000 2.081 227 L HA -0.219 4.033 4.340 -0.147 0.000 0.212 227 L C 2.168 179.468 176.870 0.717 0.000 1.080 227 L CA 1.573 56.849 54.840 0.727 0.000 0.754 227 L CB -0.641 41.758 42.059 0.566 0.000 0.893 227 L HN 0.375 nan 8.230 nan 0.000 0.433 228 F N 0.779 121.102 119.950 0.621 0.000 2.102 228 F HA -0.248 4.190 4.527 -0.148 0.000 0.298 228 F C 2.433 178.507 175.800 0.456 0.000 1.105 228 F CA 1.304 59.519 58.000 0.359 0.000 1.239 228 F CB -0.364 38.675 39.000 0.064 0.000 0.991 228 F HN 0.004 nan 8.300 nan 0.000 0.474 229 A N -0.480 122.636 122.820 0.493 0.000 1.908 229 A HA -0.235 3.997 4.320 -0.147 0.000 0.218 229 A C 2.184 179.965 177.584 0.329 0.000 1.181 229 A CA 1.694 53.936 52.037 0.341 0.000 0.627 229 A CB -1.765 17.484 19.000 0.414 0.000 0.818 229 A HN 0.676 nan 8.150 nan 0.000 0.445 230 W N 0.865 122.395 121.300 0.383 0.000 2.358 230 W HA -0.226 4.346 4.660 -0.146 0.000 0.303 230 W C 3.065 179.695 176.519 0.185 0.000 1.208 230 W CA 2.100 59.616 57.345 0.286 0.000 1.274 230 W CB -0.187 29.427 29.460 0.257 0.000 1.138 230 W HN 0.508 nan 8.180 nan 0.000 0.515 231 S N -0.063 115.871 115.700 0.390 0.000 2.382 231 S HA -0.207 4.175 4.470 -0.147 0.000 0.228 231 S C 1.710 176.396 174.600 0.144 0.000 1.027 231 S CA 1.405 59.756 58.200 0.252 0.000 0.991 231 S CB -0.687 62.654 63.200 0.235 0.000 0.823 231 S HN 0.120 nan 8.310 nan 0.000 0.469 232 I N 0.460 121.030 120.570 -0.000 0.000 2.439 232 I HA 0.024 4.106 4.170 -0.147 0.000 0.251 232 I C 2.200 178.416 176.117 0.165 0.000 1.139 232 I CA 0.850 62.166 61.300 0.026 0.000 1.438 232 I CB -1.249 36.616 38.000 -0.225 0.000 1.085 232 I HN 0.308 nan 8.210 nan 0.000 0.427 233 F N 1.847 121.740 119.950 -0.095 0.000 2.060 233 F HA -0.148 4.290 4.527 -0.148 0.000 0.295 233 F C 2.469 178.316 175.800 0.078 0.000 1.120 233 F CA 1.430 59.278 58.000 -0.252 0.000 1.205 233 F CB -0.644 37.785 39.000 -0.952 0.000 0.986 233 F HN -0.192 nan 8.300 nan 0.000 0.470 234 V N 0.200 120.229 119.914 0.191 0.000 2.231 234 V HA -0.405 3.626 4.120 -0.147 0.000 0.250 234 V C 2.364 178.551 176.094 0.156 0.000 1.058 234 V CA 2.602 65.022 62.300 0.200 0.000 1.022 234 V CB -1.523 30.454 31.823 0.257 0.000 0.640 234 V HN 0.445 nan 8.190 nan 0.000 0.445 235 T N 0.415 115.053 114.554 0.140 0.000 2.685 235 T HA -0.280 3.982 4.350 -0.147 0.000 0.268 235 T C 1.998 176.688 174.700 -0.017 0.000 1.034 235 T CA 1.942 64.082 62.100 0.066 0.000 1.149 235 T CB -0.554 68.366 68.868 0.087 0.000 0.860 235 T HN 0.629 nan 8.240 nan 0.000 0.449 236 A N -0.030 122.814 122.820 0.042 0.000 1.972 236 A HA -0.079 4.153 4.320 -0.147 0.000 0.219 236 A C 2.046 179.512 177.584 -0.197 0.000 1.169 236 A CA 1.237 53.242 52.037 -0.054 0.000 0.635 236 A CB -0.998 17.983 19.000 -0.031 0.000 0.810 236 A HN 0.714 nan 8.150 nan 0.000 0.446 237 W N 0.002 121.228 121.300 -0.122 0.000 2.418 237 W HA 0.011 4.584 4.660 -0.144 0.000 0.292 237 W C 2.020 178.547 176.519 0.013 0.000 1.213 237 W CA 0.684 57.966 57.345 -0.105 0.000 1.283 237 W CB -0.252 29.094 29.460 -0.190 0.000 1.119 237 W HN 0.194 nan 8.180 nan 0.000 0.542 238 L N -0.142 121.255 121.223 0.291 0.000 2.046 238 L HA -0.243 4.009 4.340 -0.147 0.000 0.208 238 L C 2.117 179.156 176.870 0.282 0.000 1.077 238 L CA 1.291 56.352 54.840 0.369 0.000 0.747 238 L CB -1.030 41.172 42.059 0.238 0.000 0.896 238 L HN 0.035 nan 8.230 nan 0.000 0.432 239 I N -0.109 120.514 120.570 0.088 0.000 2.264 239 I HA -0.311 3.771 4.170 -0.147 0.000 0.248 239 I C 2.466 178.649 176.117 0.109 0.000 1.111 239 I CA 1.359 62.681 61.300 0.037 0.000 1.382 239 I CB -0.212 37.702 38.000 -0.143 0.000 1.060 239 I HN 0.257 nan 8.210 nan 0.000 0.418 240 L N -0.319 120.966 121.223 0.103 0.000 2.156 240 L HA -0.183 4.069 4.340 -0.147 0.000 0.208 240 L C 2.442 179.406 176.870 0.157 0.000 1.095 240 L CA 0.754 55.657 54.840 0.104 0.000 0.770 240 L CB -0.299 41.801 42.059 0.069 0.000 0.914 240 L HN 0.295 nan 8.230 nan 0.000 0.439 241 L N -0.377 120.969 121.223 0.205 0.000 2.162 241 L HA 0.066 4.318 4.340 -0.147 0.000 0.205 241 L C 2.499 179.597 176.870 0.380 0.000 1.086 241 L CA 1.736 56.692 54.840 0.193 0.000 0.778 241 L CB -0.556 41.434 42.059 -0.114 0.000 0.928 241 L HN 0.070 nan 8.230 nan 0.000 0.446 242 A N -0.771 122.339 122.820 0.482 0.000 1.872 242 A HA -0.045 4.187 4.320 -0.147 0.000 0.214 242 A C 2.063 179.886 177.584 0.397 0.000 1.187 242 A CA 1.295 53.622 52.037 0.483 0.000 0.614 242 A CB -0.665 18.546 19.000 0.352 0.000 0.826 242 A HN 0.344 nan 8.150 nan 0.000 0.442 243 L N -0.261 121.128 121.223 0.277 0.000 2.056 243 L HA -0.063 4.189 4.340 -0.147 0.000 0.207 243 L C -0.419 176.496 176.870 0.075 0.000 1.078 243 L CA 1.981 56.907 54.840 0.145 0.000 0.749 243 L CB -2.369 39.755 42.059 0.108 0.000 0.901 243 L HN 0.205 nan 8.230 nan 0.000 0.433 244 P HA -0.113 nan 4.420 nan 0.000 0.215 244 P C 2.161 179.495 177.300 0.056 0.000 1.153 244 P CA 1.001 64.145 63.100 0.073 0.000 0.853 244 P CB 0.077 31.824 31.700 0.078 0.000 0.788 245 V N -0.373 119.603 119.914 0.102 0.000 2.332 245 V HA -0.237 3.795 4.120 -0.147 0.000 0.248 245 V C 2.404 178.494 176.094 -0.007 0.000 1.055 245 V CA 1.737 64.080 62.300 0.072 0.000 1.038 245 V CB -1.320 30.636 31.823 0.223 0.000 0.651 245 V HN 0.068 nan 8.190 nan 0.000 0.450 246 L N 0.971 122.167 121.223 -0.046 0.000 2.046 246 L HA -0.084 4.168 4.340 -0.147 0.000 0.208 246 L C 2.446 179.193 176.870 -0.206 0.000 1.077 246 L CA 2.310 56.993 54.840 -0.260 0.000 0.747 246 L CB -0.920 40.720 42.059 -0.698 0.000 0.896 246 L HN 0.216 nan 8.230 nan 0.000 0.432 247 A N -0.548 122.214 122.820 -0.095 0.000 1.978 247 A HA -0.070 4.162 4.320 -0.147 0.000 0.220 247 A C 2.296 179.922 177.584 0.071 0.000 1.170 247 A CA 1.558 53.617 52.037 0.036 0.000 0.636 247 A CB -1.532 17.549 19.000 0.136 0.000 0.810 247 A HN 0.547 nan 8.150 nan 0.000 0.448 248 G N -0.446 108.357 108.800 0.006 0.000 2.484 248 G HA2 0.006 3.878 3.960 -0.147 0.000 0.215 248 G HA3 0.006 3.878 3.960 -0.147 0.000 0.215 248 G C 1.841 176.730 174.900 -0.019 0.000 1.219 248 G CA 1.697 46.788 45.100 -0.016 0.000 0.791 248 G HN 0.864 nan 8.290 nan 0.000 0.550 249 A N 1.429 124.217 122.820 -0.054 0.000 1.894 249 A HA -0.240 3.992 4.320 -0.147 0.000 0.220 249 A C 2.484 180.152 177.584 0.141 0.000 1.237 249 A CA 2.565 54.591 52.037 -0.019 0.000 0.660 249 A CB -0.732 18.095 19.000 -0.289 0.000 0.835 249 A HN 0.959 nan 8.150 nan 0.000 0.461 250 I N -3.641 116.938 120.570 0.015 0.000 2.761 250 I HA -0.059 4.023 4.170 -0.147 0.000 0.261 250 I C 1.915 178.056 176.117 0.039 0.000 1.198 250 I CA 1.848 63.142 61.300 -0.011 0.000 1.482 250 I CB -0.742 37.112 38.000 -0.243 0.000 1.100 250 I HN 0.145 nan 8.210 nan 0.000 0.445 251 T N 1.550 116.173 114.554 0.114 0.000 2.857 251 T HA 0.029 4.291 4.350 -0.147 0.000 0.266 251 T C 1.914 176.715 174.700 0.168 0.000 1.048 251 T CA 1.632 63.851 62.100 0.200 0.000 1.139 251 T CB -0.206 68.783 68.868 0.202 0.000 0.874 251 T HN 0.338 nan 8.240 nan 0.000 0.455 252 M N 0.654 120.324 119.600 0.116 0.000 2.159 252 M HA 0.003 4.395 4.480 -0.147 0.000 0.263 252 M C 2.094 178.573 176.300 0.298 0.000 1.063 252 M CA 1.449 56.806 55.300 0.095 0.000 1.110 252 M CB -0.659 31.832 32.600 -0.181 0.000 1.374 252 M HN 0.203 nan 8.290 nan 0.000 0.411 253 L N -0.368 121.054 121.223 0.331 0.000 2.056 253 L HA -0.193 4.059 4.340 -0.147 0.000 0.207 253 L C 2.476 179.407 176.870 0.102 0.000 1.078 253 L CA 0.696 55.667 54.840 0.219 0.000 0.749 253 L CB -0.609 41.475 42.059 0.042 0.000 0.901 253 L HN 0.276 nan 8.230 nan 0.000 0.433 254 L N -0.157 121.113 121.223 0.080 0.000 2.093 254 L HA -0.177 4.075 4.340 -0.147 0.000 0.208 254 L C 2.721 179.634 176.870 0.072 0.000 1.085 254 L CA 2.298 57.154 54.840 0.028 0.000 0.755 254 L CB -0.544 41.549 42.059 0.058 0.000 0.904 254 L HN 0.429 nan 8.230 nan 0.000 0.435 255 T N -4.950 109.735 114.554 0.219 0.000 2.851 255 T HA -0.114 4.148 4.350 -0.147 0.000 0.262 255 T C 1.651 176.438 174.700 0.145 0.000 1.043 255 T CA 0.994 63.279 62.100 0.308 0.000 1.140 255 T CB -0.590 68.523 68.868 0.409 0.000 0.872 255 T HN 0.204 nan 8.240 nan 0.000 0.446 256 D N 1.393 121.877 120.400 0.139 0.000 2.158 256 D HA -0.036 4.516 4.640 -0.147 0.000 0.197 256 D C 2.427 178.733 176.300 0.011 0.000 0.995 256 D CA 0.978 55.020 54.000 0.070 0.000 0.846 256 D CB -0.182 40.693 40.800 0.126 0.000 0.941 256 D HN 0.456 nan 8.370 nan 0.000 0.456 257 R N -0.403 120.084 120.500 -0.021 0.000 2.100 257 R HA 0.130 4.382 4.340 -0.147 0.000 0.220 257 R C 1.355 177.559 176.300 -0.160 0.000 1.091 257 R CA 0.786 56.841 56.100 -0.075 0.000 0.986 257 R CB 0.165 30.414 30.300 -0.084 0.000 0.888 257 R HN 0.197 nan 8.270 nan 0.000 0.444 258 N N -1.071 117.443 118.700 -0.309 0.000 2.360 258 N HA 0.057 4.709 4.740 -0.147 0.000 0.211 258 N C -0.052 175.075 175.510 -0.639 0.000 1.147 258 N CA 0.487 53.177 53.050 -0.601 0.000 0.866 258 N CB 0.721 38.596 38.487 -1.020 0.000 1.206 258 N HN 0.048 nan 8.380 nan 0.000 0.478 259 F N 0.596 120.564 119.950 0.029 0.000 2.850 259 F HA 0.425 4.862 4.527 -0.149 0.000 0.329 259 F C 1.395 177.191 175.800 -0.006 0.000 1.182 259 F CA -0.775 57.236 58.000 0.019 0.000 1.270 259 F CB 0.325 39.345 39.000 0.033 0.000 0.979 259 F HN -0.024 nan 8.300 nan 0.000 0.506 260 G N 0.983 109.828 108.800 0.075 0.000 2.187 260 G HA2 -0.347 3.525 3.960 -0.147 0.000 0.261 260 G HA3 -0.347 3.525 3.960 -0.147 0.000 0.261 260 G C 0.580 175.465 174.900 -0.025 0.000 1.000 260 G CA 0.741 45.854 45.100 0.022 0.000 0.718 260 G HN 0.575 nan 8.290 nan 0.000 0.519 261 T N -2.573 111.963 114.554 -0.030 0.000 2.754 261 T HA 0.587 4.849 4.350 -0.147 0.000 0.286 261 T C 0.864 175.434 174.700 -0.216 0.000 0.997 261 T CA 0.902 62.886 62.100 -0.193 0.000 0.982 261 T CB 1.710 70.425 68.868 -0.254 0.000 1.027 261 T HN 1.340 nan 8.240 nan 0.000 0.529 262 T N -1.672 112.648 114.554 -0.390 0.000 3.967 262 T HA 0.309 4.571 4.350 -0.147 0.000 0.262 262 T C 0.373 174.897 174.700 -0.294 0.000 0.966 262 T CA -0.668 61.287 62.100 -0.242 0.000 1.169 262 T CB -0.961 67.816 68.868 -0.151 0.000 1.038 262 T HN 0.406 nan 8.240 nan 0.000 0.541 263 F N 0.829 120.572 119.950 -0.346 0.000 2.171 263 F HA 0.221 4.660 4.527 -0.147 0.000 0.300 263 F C 1.150 176.652 175.800 -0.497 0.000 1.090 263 F CA 0.868 58.519 58.000 -0.582 0.000 1.293 263 F CB -0.289 38.043 39.000 -1.114 0.000 1.013 263 F HN 0.406 nan 8.300 nan 0.000 0.486 264 F N -0.984 119.083 119.950 0.195 0.000 2.698 264 F HA 0.286 4.724 4.527 -0.148 0.000 0.304 264 F C 0.016 175.849 175.800 0.055 0.000 1.108 264 F CA -0.651 57.417 58.000 0.112 0.000 1.263 264 F CB -0.413 38.632 39.000 0.075 0.000 1.013 264 F HN -0.231 nan 8.300 nan 0.000 0.532 265 Q N 1.078 120.958 119.800 0.133 0.000 2.368 265 Q HA 0.315 4.567 4.340 -0.147 0.000 0.263 265 Q C -2.150 173.882 176.000 0.053 0.000 1.009 265 Q CA -2.104 53.747 55.803 0.080 0.000 0.818 265 Q CB 1.628 30.389 28.738 0.038 0.000 1.239 265 Q HN 0.046 nan 8.270 nan 0.000 0.464 266 P HA -0.216 nan 4.420 nan 0.000 0.218 266 P C 1.415 178.732 177.300 0.028 0.000 1.148 266 P CA 1.619 64.748 63.100 0.049 0.000 0.822 266 P CB 0.330 32.062 31.700 0.052 0.000 0.784 267 S N -0.891 114.822 115.700 0.021 0.000 2.368 267 S HA -0.096 4.286 4.470 -0.147 0.000 0.225 267 S C 2.124 176.724 174.600 -0.001 0.000 1.030 267 S CA 1.457 59.663 58.200 0.010 0.000 0.999 267 S CB -1.890 61.315 63.200 0.008 0.000 0.844 267 S HN 0.229 nan 8.310 nan 0.000 0.459 268 G N -0.115 108.678 108.800 -0.012 0.000 3.181 268 G HA2 0.447 4.319 3.960 -0.147 0.000 0.219 268 G HA3 0.447 4.319 3.960 -0.147 0.000 0.219 268 G C 0.960 175.841 174.900 -0.032 0.000 1.182 268 G CA -0.039 45.041 45.100 -0.033 0.000 0.791 268 G HN 1.432 nan 8.290 nan 0.000 0.537 269 G N -1.254 107.542 108.800 -0.007 0.000 2.136 269 G HA2 -0.014 3.858 3.960 -0.147 0.000 0.242 269 G HA3 -0.014 3.858 3.960 -0.147 0.000 0.242 269 G C 0.739 175.650 174.900 0.017 0.000 0.989 269 G CA 0.220 45.323 45.100 0.004 0.000 0.682 269 G HN 0.986 nan 8.290 nan 0.000 0.522 270 G N -0.969 107.845 108.800 0.023 0.000 2.557 270 G HA2 0.527 4.399 3.960 -0.147 0.000 0.292 270 G HA3 0.527 4.399 3.960 -0.147 0.000 0.292 270 G C -0.817 174.156 174.900 0.122 0.000 1.237 270 G CA 0.401 45.539 45.100 0.063 0.000 0.978 270 G HN 0.407 nan 8.290 nan 0.000 0.498 271 D N -1.080 119.441 120.400 0.202 0.000 2.602 271 D HA 0.382 4.934 4.640 -0.147 0.000 0.245 271 D C -1.905 174.581 176.300 0.309 0.000 1.325 271 D CA -1.807 52.321 54.000 0.213 0.000 0.952 271 D CB 2.281 43.192 40.800 0.186 0.000 1.317 271 D HN -0.051 nan 8.370 nan 0.000 0.577 272 P HA -0.110 nan 4.420 nan 0.000 0.218 272 P C 1.477 178.786 177.300 0.015 0.000 1.148 272 P CA 0.472 63.638 63.100 0.111 0.000 0.822 272 P CB 0.443 32.164 31.700 0.036 0.000 0.784 273 V N -0.524 119.424 119.914 0.057 0.000 2.720 273 V HA -0.193 3.839 4.120 -0.147 0.000 0.256 273 V C 2.289 178.443 176.094 0.099 0.000 1.082 273 V CA 1.223 63.535 62.300 0.020 0.000 1.101 273 V CB -1.140 30.721 31.823 0.062 0.000 0.693 273 V HN 0.084 nan 8.190 nan 0.000 0.479 274 L N -0.192 121.167 121.223 0.227 0.000 2.083 274 L HA -0.181 4.071 4.340 -0.147 0.000 0.209 274 L C 2.278 179.264 176.870 0.192 0.000 1.083 274 L CA 2.091 57.114 54.840 0.305 0.000 0.752 274 L CB -0.889 41.396 42.059 0.376 0.000 0.899 274 L HN 0.471 nan 8.230 nan 0.000 0.433 275 Y N 0.114 120.326 120.300 -0.147 0.000 2.207 275 Y HA -0.296 4.165 4.550 -0.148 0.000 0.287 275 Y C 2.517 178.197 175.900 -0.367 0.000 1.156 275 Y CA 2.142 59.903 58.100 -0.564 0.000 1.182 275 Y CB -0.213 37.401 38.460 -1.411 0.000 0.979 275 Y HN 0.378 nan 8.280 nan 0.000 0.521 276 Q N -1.012 118.619 119.800 -0.281 0.000 2.084 276 Q HA -0.229 4.023 4.340 -0.147 0.000 0.202 276 Q C 2.089 178.021 176.000 -0.113 0.000 0.978 276 Q CA 1.529 57.166 55.803 -0.277 0.000 0.844 276 Q CB -0.290 28.306 28.738 -0.237 0.000 0.898 276 Q HN 0.631 nan 8.270 nan 0.000 0.426 277 H N 0.286 119.373 119.070 0.028 0.000 2.321 277 H HA -0.088 4.380 4.556 -0.147 0.000 0.300 277 H C 2.169 177.392 175.328 -0.176 0.000 1.087 277 H CA 1.336 57.449 56.048 0.107 0.000 1.319 277 H CB -0.096 29.772 29.762 0.176 0.000 1.379 277 H HN 0.262 nan 8.280 nan 0.000 0.501 278 I N 0.374 120.873 120.570 -0.119 0.000 2.202 278 I HA -0.251 3.831 4.170 -0.147 0.000 0.242 278 I C 2.733 178.685 176.117 -0.275 0.000 1.091 278 I CA 0.864 62.028 61.300 -0.227 0.000 1.368 278 I CB -0.293 37.571 38.000 -0.227 0.000 1.058 278 I HN 0.087 nan 8.210 nan 0.000 0.410 279 L N 0.242 121.126 121.223 -0.566 0.000 2.017 279 L HA -0.156 4.096 4.340 -0.147 0.000 0.208 279 L C 2.194 178.827 176.870 -0.396 0.000 1.073 279 L CA 1.835 56.292 54.840 -0.639 0.000 0.745 279 L CB -0.472 40.903 42.059 -1.139 0.000 0.894 279 L HN 0.181 nan 8.230 nan 0.000 0.432 280 W N -1.548 119.670 121.300 -0.137 0.000 2.595 280 W HA -0.109 4.464 4.660 -0.145 0.000 0.257 280 W C 2.177 178.673 176.519 -0.038 0.000 1.267 280 W CA 0.318 57.620 57.345 -0.071 0.000 1.300 280 W CB -0.227 29.269 29.460 0.060 0.000 1.120 280 W HN 0.189 nan 8.180 nan 0.000 0.618 281 F N -0.071 119.783 119.950 -0.160 0.000 2.186 281 F HA -0.195 4.244 4.527 -0.148 0.000 0.299 281 F C 2.262 178.054 175.800 -0.014 0.000 1.090 281 F CA 1.672 59.512 58.000 -0.267 0.000 1.307 281 F CB -0.558 38.134 39.000 -0.512 0.000 1.019 281 F HN -0.035 nan 8.300 nan 0.000 0.489 282 F N 0.201 120.153 119.950 0.003 0.000 2.163 282 F HA 0.119 4.559 4.527 -0.145 0.000 0.297 282 F C 2.209 177.961 175.800 -0.080 0.000 1.094 282 F CA 1.559 59.534 58.000 -0.043 0.000 1.290 282 F CB -1.067 37.906 39.000 -0.045 0.000 1.017 282 F HN -0.095 nan 8.300 nan 0.000 0.483 283 G N -0.852 107.657 108.800 -0.484 0.000 2.402 283 G HA2 -0.298 3.574 3.960 -0.147 0.000 0.216 283 G HA3 -0.298 3.574 3.960 -0.147 0.000 0.216 283 G C 1.387 176.144 174.900 -0.238 0.000 1.162 283 G CA 1.133 45.884 45.100 -0.582 0.000 0.777 283 G HN 0.562 nan 8.290 nan 0.000 0.539 284 H N 1.544 120.604 119.070 -0.016 0.000 2.276 284 H HA -0.004 4.464 4.556 -0.147 0.000 0.301 284 H C 0.210 175.466 175.328 -0.120 0.000 1.073 284 H CA 1.686 57.766 56.048 0.053 0.000 1.311 284 H CB -0.460 29.427 29.762 0.208 0.000 1.379 284 H HN 0.229 nan 8.280 nan 0.000 0.494 285 P HA -0.247 nan 4.420 nan 0.000 0.218 285 P C 1.208 178.340 177.300 -0.279 0.000 1.154 285 P CA 2.264 65.174 63.100 -0.317 0.000 0.872 285 P CB -0.083 31.127 31.700 -0.816 0.000 0.790 286 E N 0.051 119.939 120.200 -0.519 0.000 2.114 286 E HA -0.219 4.043 4.350 -0.147 0.000 0.199 286 E C 1.681 178.017 176.600 -0.439 0.000 1.008 286 E CA 2.114 58.183 56.400 -0.552 0.000 0.810 286 E CB -1.179 27.952 29.700 -0.949 0.000 0.739 286 E HN 0.190 nan 8.360 nan 0.000 0.456 287 V N -1.464 118.141 119.914 -0.514 0.000 2.667 287 V HA -0.121 3.911 4.120 -0.147 0.000 0.252 287 V C 1.802 177.549 176.094 -0.577 0.000 1.065 287 V CA 1.516 63.462 62.300 -0.591 0.000 1.083 287 V CB -0.970 30.418 31.823 -0.726 0.000 0.692 287 V HN 0.275 nan 8.190 nan 0.000 0.468 288 Y N 0.350 120.521 120.300 -0.215 0.000 2.395 288 Y HA 0.258 4.720 4.550 -0.147 0.000 0.293 288 Y C 2.310 178.124 175.900 -0.144 0.000 1.123 288 Y CA 1.177 59.208 58.100 -0.115 0.000 1.227 288 Y CB -0.408 38.056 38.460 0.006 0.000 1.012 288 Y HN 0.191 nan 8.280 nan 0.000 0.552 289 I N -0.470 120.054 120.570 -0.078 0.000 2.226 289 I HA -0.302 3.780 4.170 -0.147 0.000 0.245 289 I C 1.971 177.988 176.117 -0.166 0.000 1.100 289 I CA 1.434 62.652 61.300 -0.135 0.000 1.374 289 I CB -0.355 37.529 38.000 -0.193 0.000 1.057 289 I HN 0.180 nan 8.210 nan 0.000 0.413 290 I N -0.292 120.148 120.570 -0.217 0.000 2.179 290 I HA -0.258 3.824 4.170 -0.147 0.000 0.242 290 I C 2.459 178.475 176.117 -0.168 0.000 1.088 290 I CA 1.257 62.435 61.300 -0.204 0.000 1.357 290 I CB -0.251 37.588 38.000 -0.269 0.000 1.051 290 I HN 0.035 nan 8.210 nan 0.000 0.409 291 V N 0.633 120.408 119.914 -0.231 0.000 3.052 291 V HA -0.069 3.963 4.120 -0.147 0.000 0.254 291 V C 2.135 177.915 176.094 -0.523 0.000 1.100 291 V CA 0.940 63.033 62.300 -0.345 0.000 1.112 291 V CB 0.135 31.714 31.823 -0.405 0.000 0.738 291 V HN 0.286 nan 8.190 nan 0.000 0.469 292 L N 0.451 121.496 121.223 -0.296 0.000 2.017 292 L HA -0.091 4.161 4.340 -0.147 0.000 0.208 292 L C -0.048 176.846 176.870 0.040 0.000 1.073 292 L CA 1.847 56.602 54.840 -0.142 0.000 0.745 292 L CB -1.695 40.399 42.059 0.059 0.000 0.894 292 L HN 0.335 nan 8.230 nan 0.000 0.432 293 P HA -0.184 nan 4.420 nan 0.000 0.216 293 P C 1.381 178.842 177.300 0.269 0.000 1.150 293 P CA 1.733 64.959 63.100 0.209 0.000 0.837 293 P CB -0.033 31.824 31.700 0.261 0.000 0.786 294 A N -1.180 121.696 122.820 0.094 0.000 1.933 294 A HA -0.196 4.036 4.320 -0.147 0.000 0.218 294 A C 1.908 179.466 177.584 -0.043 0.000 1.175 294 A CA 1.359 53.388 52.037 -0.013 0.000 0.628 294 A CB -1.681 17.293 19.000 -0.044 0.000 0.814 294 A HN 0.034 nan 8.150 nan 0.000 0.444 295 F N 0.465 120.399 119.950 -0.026 0.000 2.134 295 F HA -0.066 4.373 4.527 -0.146 0.000 0.299 295 F C 2.646 178.586 175.800 0.234 0.000 1.097 295 F CA 0.450 58.525 58.000 0.125 0.000 1.264 295 F CB -1.534 37.666 39.000 0.334 0.000 1.001 295 F HN 0.271 nan 8.300 nan 0.000 0.479 296 G N 0.441 109.524 108.800 0.471 0.000 2.459 296 G HA2 -0.241 3.631 3.960 -0.147 0.000 0.217 296 G HA3 -0.241 3.631 3.960 -0.147 0.000 0.217 296 G C 1.907 177.037 174.900 0.383 0.000 1.183 296 G CA 1.075 46.490 45.100 0.525 0.000 0.776 296 G HN 0.354 nan 8.290 nan 0.000 0.552 297 I N 0.282 120.978 120.570 0.210 0.000 2.226 297 I HA -0.163 3.919 4.170 -0.147 0.000 0.245 297 I C 2.800 178.721 176.117 -0.327 0.000 1.100 297 I CA 0.484 61.658 61.300 -0.210 0.000 1.374 297 I CB -0.283 37.526 38.000 -0.319 0.000 1.057 297 I HN 0.029 nan 8.210 nan 0.000 0.413 298 V N 0.174 119.868 119.914 -0.367 0.000 2.332 298 V HA -0.298 3.734 4.120 -0.147 0.000 0.248 298 V C 2.541 178.415 176.094 -0.367 0.000 1.055 298 V CA 2.177 64.119 62.300 -0.597 0.000 1.038 298 V CB -0.568 30.541 31.823 -1.190 0.000 0.651 298 V HN 0.390 nan 8.190 nan 0.000 0.450 299 S N -1.418 114.309 115.700 0.045 0.000 2.359 299 S HA -0.221 4.161 4.470 -0.147 0.000 0.224 299 S C 1.819 176.541 174.600 0.204 0.000 1.035 299 S CA 1.539 59.957 58.200 0.364 0.000 1.018 299 S CB -0.461 63.092 63.200 0.588 0.000 0.876 299 S HN 0.706 nan 8.310 nan 0.000 0.448 300 H N -0.091 118.958 119.070 -0.034 0.000 2.353 300 H HA -0.021 4.447 4.556 -0.146 0.000 0.300 300 H C 2.221 177.295 175.328 -0.424 0.000 1.090 300 H CA 1.471 57.444 56.048 -0.125 0.000 1.327 300 H CB -0.154 29.564 29.762 -0.072 0.000 1.383 300 H HN 0.211 nan 8.280 nan 0.000 0.508 301 V N 1.343 120.917 119.914 -0.566 0.000 2.307 301 V HA -0.222 3.809 4.120 -0.147 0.000 0.245 301 V C 2.577 178.531 176.094 -0.234 0.000 1.045 301 V CA 1.404 63.291 62.300 -0.689 0.000 1.024 301 V CB -0.376 31.029 31.823 -0.697 0.000 0.651 301 V HN 0.337 nan 8.190 nan 0.000 0.449 302 I N 0.320 120.780 120.570 -0.183 0.000 2.226 302 I HA -0.230 3.852 4.170 -0.147 0.000 0.245 302 I C 2.672 178.774 176.117 -0.025 0.000 1.100 302 I CA 1.447 62.705 61.300 -0.070 0.000 1.374 302 I CB -0.574 37.394 38.000 -0.053 0.000 1.057 302 I HN 0.310 nan 8.210 nan 0.000 0.413 303 A N 0.483 123.288 122.820 -0.025 0.000 1.902 303 A HA -0.205 4.027 4.320 -0.147 0.000 0.217 303 A C 2.371 179.891 177.584 -0.107 0.000 1.181 303 A CA 2.442 54.467 52.037 -0.020 0.000 0.623 303 A CB -1.077 17.931 19.000 0.013 0.000 0.818 303 A HN 0.368 nan 8.150 nan 0.000 0.443 304 T N -0.562 113.867 114.554 -0.209 0.000 2.684 304 T HA -0.130 4.132 4.350 -0.147 0.000 0.267 304 T C 1.332 175.699 174.700 -0.554 0.000 1.036 304 T CA 1.845 63.690 62.100 -0.424 0.000 1.148 304 T CB -0.408 68.057 68.868 -0.673 0.000 0.863 304 T HN 0.444 nan 8.240 nan 0.000 0.436 305 F N 0.584 120.410 119.950 -0.207 0.000 2.754 305 F HA 0.448 4.887 4.527 -0.147 0.000 0.297 305 F C 2.232 177.938 175.800 -0.156 0.000 1.122 305 F CA -0.145 57.735 58.000 -0.201 0.000 1.400 305 F CB -0.219 38.623 39.000 -0.263 0.000 1.117 305 F HN 0.108 nan 8.300 nan 0.000 0.587 306 A N -0.216 122.585 122.820 -0.030 0.000 2.178 306 A HA 0.063 4.294 4.320 -0.147 0.000 0.211 306 A C 1.207 178.691 177.584 -0.167 0.000 1.157 306 A CA 0.060 52.062 52.037 -0.058 0.000 0.780 306 A CB -0.390 18.601 19.000 -0.015 0.000 0.828 306 A HN 0.263 nan 8.150 nan 0.000 0.476 307 K N -1.162 119.066 120.400 -0.286 0.000 3.150 307 K HA -0.185 4.047 4.320 -0.147 0.000 0.267 307 K C -0.392 175.642 176.600 -0.944 0.000 1.028 307 K CA 1.267 57.134 56.287 -0.699 0.000 0.753 307 K CB -1.344 30.870 32.500 -0.476 0.000 1.288 307 K HN 0.641 nan 8.250 nan 0.000 0.473 308 K N 0.195 120.329 120.400 -0.444 0.000 2.557 308 K HA 0.325 4.557 4.320 -0.147 0.000 0.261 308 K C -2.823 173.785 176.600 0.014 0.000 0.932 308 K CA -1.801 54.393 56.287 -0.154 0.000 0.829 308 K CB 2.027 34.494 32.500 -0.055 0.000 1.358 308 K HN -0.261 nan 8.250 nan 0.000 0.430 309 P HA 0.075 nan 4.420 nan 0.000 0.274 309 P C -0.303 177.063 177.300 0.110 0.000 1.231 309 P CA -0.490 62.665 63.100 0.091 0.000 0.790 309 P CB 0.551 32.293 31.700 0.069 0.000 0.951 310 I N 2.488 123.132 120.570 0.122 0.000 2.668 310 I HA -0.000 4.082 4.170 -0.147 0.000 0.285 310 I C 0.163 176.400 176.117 0.199 0.000 1.168 310 I CA -0.122 61.289 61.300 0.187 0.000 1.424 310 I CB -0.748 37.378 38.000 0.210 0.000 1.377 310 I HN 0.143 nan 8.210 nan 0.000 0.560 311 F N 7.873 127.875 119.950 0.087 0.000 2.484 311 F HA 0.433 4.872 4.527 -0.147 0.000 0.360 311 F C 1.273 177.090 175.800 0.029 0.000 1.101 311 F CA 0.193 58.228 58.000 0.058 0.000 1.251 311 F CB 0.382 39.416 39.000 0.056 0.000 1.132 311 F HN 0.746 nan 8.300 nan 0.000 0.570 312 G N 6.060 114.735 108.800 -0.209 0.000 2.372 312 G HA2 -0.397 3.474 3.960 -0.147 0.000 0.297 312 G HA3 -0.397 3.474 3.960 -0.147 0.000 0.297 312 G C 0.484 175.393 174.900 0.015 0.000 1.005 312 G CA 0.668 45.734 45.100 -0.058 0.000 1.173 312 G HN 1.056 nan 8.290 nan 0.000 0.511 313 Y N 0.072 120.318 120.300 -0.091 0.000 2.151 313 Y HA -0.139 4.323 4.550 -0.147 0.000 0.284 313 Y C 2.431 178.233 175.900 -0.163 0.000 1.166 313 Y CA 2.509 60.562 58.100 -0.078 0.000 1.163 313 Y CB -0.155 38.276 38.460 -0.049 0.000 0.974 313 Y HN 0.403 nan 8.280 nan 0.000 0.511 314 L N 0.497 121.620 121.223 -0.166 0.000 2.095 314 L HA 0.029 4.281 4.340 -0.147 0.000 0.204 314 L C -0.776 175.801 176.870 -0.488 0.000 1.080 314 L CA 1.471 56.051 54.840 -0.432 0.000 0.759 314 L CB -1.617 40.314 42.059 -0.213 0.000 0.914 314 L HN 0.086 nan 8.230 nan 0.000 0.439 315 P HA -0.170 nan 4.420 nan 0.000 0.218 315 P C 1.935 179.143 177.300 -0.153 0.000 1.148 315 P CA 1.386 64.443 63.100 -0.073 0.000 0.822 315 P CB -0.090 31.609 31.700 -0.003 0.000 0.784 316 M N -1.201 118.252 119.600 -0.245 0.000 2.086 316 M HA -0.100 4.292 4.480 -0.147 0.000 0.261 316 M C 2.059 178.172 176.300 -0.313 0.000 1.067 316 M CA 1.592 56.728 55.300 -0.274 0.000 1.116 316 M CB -1.586 30.860 32.600 -0.256 0.000 1.348 316 M HN -0.149 nan 8.290 nan 0.000 0.407 317 V N -0.604 118.973 119.914 -0.561 0.000 2.343 317 V HA -0.277 3.755 4.120 -0.147 0.000 0.247 317 V C 2.307 178.170 176.094 -0.385 0.000 1.051 317 V CA 1.652 63.530 62.300 -0.703 0.000 1.036 317 V CB -1.055 29.984 31.823 -1.306 0.000 0.654 317 V HN 0.256 nan 8.190 nan 0.000 0.451 318 Y N 0.612 120.732 120.300 -0.299 0.000 2.263 318 Y HA 0.025 4.487 4.550 -0.147 0.000 0.292 318 Y C 2.559 178.384 175.900 -0.125 0.000 1.130 318 Y CA 0.490 58.475 58.100 -0.191 0.000 1.179 318 Y CB -1.333 37.038 38.460 -0.149 0.000 0.998 318 Y HN 0.187 nan 8.280 nan 0.000 0.532 319 A N -0.178 122.663 122.820 0.035 0.000 1.933 319 A HA -0.216 4.016 4.320 -0.147 0.000 0.218 319 A C 2.348 179.950 177.584 0.030 0.000 1.175 319 A CA 1.833 53.871 52.037 0.001 0.000 0.628 319 A CB -0.763 18.196 19.000 -0.069 0.000 0.814 319 A HN 0.409 nan 8.150 nan 0.000 0.444 320 M N -0.856 118.763 119.600 0.033 0.000 2.175 320 M HA -0.116 4.276 4.480 -0.147 0.000 0.264 320 M C 2.098 178.461 176.300 0.105 0.000 1.063 320 M CA 1.241 56.611 55.300 0.118 0.000 1.119 320 M CB -0.364 32.322 32.600 0.144 0.000 1.377 320 M HN 0.281 nan 8.290 nan 0.000 0.415 321 V N 0.268 120.223 119.914 0.069 0.000 2.358 321 V HA -0.217 3.815 4.120 -0.147 0.000 0.246 321 V C 2.615 178.735 176.094 0.043 0.000 1.047 321 V CA 1.918 64.259 62.300 0.069 0.000 1.035 321 V CB -1.154 30.711 31.823 0.071 0.000 0.658 321 V HN 0.491 nan 8.190 nan 0.000 0.452 322 A N 0.025 122.862 122.820 0.028 0.000 1.877 322 A HA -0.190 4.042 4.320 -0.147 0.000 0.216 322 A C 2.189 179.766 177.584 -0.012 0.000 1.186 322 A CA 1.990 54.029 52.037 0.002 0.000 0.620 322 A CB -0.568 18.429 19.000 -0.004 0.000 0.822 322 A HN 0.489 nan 8.150 nan 0.000 0.443 323 I N -0.286 120.282 120.570 -0.003 0.000 2.163 323 I HA -0.230 3.852 4.170 -0.147 0.000 0.243 323 I C 2.721 178.754 176.117 -0.139 0.000 1.085 323 I CA 1.189 62.444 61.300 -0.075 0.000 1.347 323 I CB -0.632 37.398 38.000 0.051 0.000 1.044 323 I HN 0.409 nan 8.210 nan 0.000 0.408 324 G N 0.277 109.078 108.800 0.001 0.000 2.440 324 G HA2 -0.203 3.668 3.960 -0.147 0.000 0.218 324 G HA3 -0.203 3.668 3.960 -0.147 0.000 0.218 324 G C 1.694 176.668 174.900 0.123 0.000 1.154 324 G CA 1.056 46.197 45.100 0.069 0.000 0.767 324 G HN 0.257 nan 8.290 nan 0.000 0.552 325 V N 0.753 120.718 119.914 0.085 0.000 2.283 325 V HA -0.039 3.993 4.120 -0.147 0.000 0.243 325 V C 2.885 179.046 176.094 0.111 0.000 1.039 325 V CA 1.324 63.693 62.300 0.115 0.000 1.016 325 V CB -0.408 31.438 31.823 0.038 0.000 0.650 325 V HN 0.334 nan 8.190 nan 0.000 0.449 326 L N 0.716 121.942 121.223 0.005 0.000 2.187 326 L HA -0.105 4.147 4.340 -0.147 0.000 0.213 326 L C 2.430 179.234 176.870 -0.110 0.000 1.100 326 L CA 1.470 56.286 54.840 -0.040 0.000 0.765 326 L CB -0.943 41.063 42.059 -0.088 0.000 0.904 326 L HN 0.489 nan 8.230 nan 0.000 0.437 327 G N -1.232 107.446 108.800 -0.203 0.000 2.625 327 G HA2 -0.207 3.665 3.960 -0.147 0.000 0.214 327 G HA3 -0.207 3.665 3.960 -0.147 0.000 0.214 327 G C 1.104 175.840 174.900 -0.272 0.000 1.132 327 G CA 0.153 45.064 45.100 -0.315 0.000 0.782 327 G HN 0.296 nan 8.290 nan 0.000 0.538 328 F N -0.410 119.511 119.950 -0.049 0.000 2.721 328 F HA 0.193 4.631 4.527 -0.148 0.000 0.301 328 F C 1.721 177.632 175.800 0.185 0.000 1.096 328 F CA 0.019 57.975 58.000 -0.074 0.000 1.308 328 F CB 1.134 40.077 39.000 -0.095 0.000 1.086 328 F HN 0.073 nan 8.300 nan 0.000 0.587 329 V N -2.036 118.088 119.914 0.350 0.000 3.070 329 V HA 0.274 4.306 4.120 -0.147 0.000 0.345 329 V C 0.454 176.685 176.094 0.229 0.000 1.403 329 V CA 0.393 62.946 62.300 0.421 0.000 1.155 329 V CB -0.229 31.778 31.823 0.306 0.000 1.140 329 V HN 0.022 nan 8.190 nan 0.000 0.505 330 V N -3.965 116.050 119.914 0.168 0.000 3.398 330 V HA 0.280 4.312 4.120 -0.147 0.000 0.298 330 V C 1.744 177.657 176.094 -0.301 0.000 1.496 330 V CA 0.342 62.634 62.300 -0.014 0.000 1.044 330 V CB -0.591 31.121 31.823 -0.184 0.000 0.880 330 V HN 0.734 nan 8.190 nan 0.000 0.443 331 W N 2.282 123.512 121.300 -0.117 0.000 2.331 331 W HA 0.009 4.581 4.660 -0.146 0.000 0.291 331 W C 1.804 177.996 176.519 -0.544 0.000 1.214 331 W CA 1.799 59.004 57.345 -0.233 0.000 1.228 331 W CB -0.916 28.593 29.460 0.082 0.000 1.135 331 W HN 0.243 nan 8.180 nan 0.000 0.537 332 A N 1.710 123.624 122.820 -1.510 0.000 2.235 332 A HA -0.095 4.137 4.320 -0.147 0.000 0.208 332 A C 1.804 178.713 177.584 -1.124 0.000 1.172 332 A CA 0.946 52.167 52.037 -1.359 0.000 0.786 332 A CB -1.798 16.023 19.000 -1.965 0.000 0.804 332 A HN 0.784 nan 8.150 nan 0.000 0.479 333 H N -2.388 116.081 119.070 -1.001 0.000 2.560 333 H HA -0.071 4.397 4.556 -0.147 0.000 0.283 333 H C 0.707 175.282 175.328 -1.255 0.000 1.028 333 H CA 1.074 56.299 56.048 -1.371 0.000 1.221 333 H CB -0.363 28.932 29.762 -0.778 0.000 1.363 333 H HN 0.665 nan 8.280 nan 0.000 0.594 334 H N 0.361 118.983 119.070 -0.746 0.000 2.526 334 H HA 0.198 4.667 4.556 -0.146 0.000 0.274 334 H C 0.611 175.557 175.328 -0.636 0.000 0.999 334 H CA 0.351 55.895 56.048 -0.839 0.000 1.157 334 H CB 0.449 29.082 29.762 -1.882 0.000 1.407 334 H HN 0.509 nan 8.280 nan 0.000 0.568 335 M N -0.826 118.453 119.600 -0.535 0.000 2.821 335 M HA 0.083 4.475 4.480 -0.147 0.000 0.432 335 M C 0.283 176.439 176.300 -0.240 0.000 1.291 335 M CA -0.171 54.928 55.300 -0.334 0.000 0.838 335 M CB 0.644 33.066 32.600 -0.296 0.000 1.505 335 M HN -0.063 nan 8.290 nan 0.000 0.523 336 Y N 0.996 121.141 120.300 -0.258 0.000 2.256 336 Y HA -0.134 4.328 4.550 -0.146 0.000 0.288 336 Y C 2.781 178.587 175.900 -0.156 0.000 1.155 336 Y CA 1.858 59.851 58.100 -0.178 0.000 1.203 336 Y CB -0.841 37.529 38.460 -0.149 0.000 0.980 336 Y HN 0.381 nan 8.280 nan 0.000 0.530 337 T N -3.956 110.546 114.554 -0.087 0.000 3.105 337 T HA 0.475 4.737 4.350 -0.147 0.000 0.253 337 T C 1.448 176.132 174.700 -0.027 0.000 1.047 337 T CA 0.309 62.375 62.100 -0.056 0.000 0.944 337 T CB -0.084 68.746 68.868 -0.065 0.000 1.016 337 T HN 0.166 nan 8.240 nan 0.000 0.544 338 A N 0.678 123.475 122.820 -0.039 0.000 2.275 338 A HA 0.691 4.923 4.320 -0.147 0.000 0.212 338 A C 1.694 179.291 177.584 0.023 0.000 1.201 338 A CA 0.154 52.189 52.037 -0.003 0.000 0.843 338 A CB -0.654 18.327 19.000 -0.031 0.000 0.873 338 A HN 1.348 nan 8.150 nan 0.000 0.492 339 G N -0.732 108.089 108.800 0.035 0.000 2.151 339 G HA2 -0.116 3.756 3.960 -0.147 0.000 0.156 339 G HA3 -0.116 3.756 3.960 -0.147 0.000 0.156 339 G C -0.176 174.771 174.900 0.078 0.000 1.017 339 G CA -0.222 44.912 45.100 0.056 0.000 0.686 339 G HN 0.311 nan 8.290 nan 0.000 0.503 340 L N 2.054 123.326 121.223 0.082 0.000 2.349 340 L HA 0.508 4.760 4.340 -0.147 0.000 0.275 340 L C 1.640 178.575 176.870 0.108 0.000 1.115 340 L CA -0.084 54.828 54.840 0.119 0.000 0.820 340 L CB 1.251 43.391 42.059 0.135 0.000 1.135 340 L HN 0.510 nan 8.230 nan 0.000 0.445 341 S N 2.235 118.004 115.700 0.114 0.000 2.572 341 S HA -0.028 4.354 4.470 -0.147 0.000 0.267 341 S C 0.919 175.572 174.600 0.088 0.000 1.361 341 S CA -0.553 57.700 58.200 0.089 0.000 1.009 341 S CB 0.701 63.952 63.200 0.086 0.000 0.888 341 S HN 0.568 nan 8.310 nan 0.000 0.553 342 L N 1.821 123.079 121.223 0.058 0.000 2.191 342 L HA 0.013 4.265 4.340 -0.147 0.000 0.212 342 L C 2.372 179.276 176.870 0.056 0.000 1.103 342 L CA 2.109 56.974 54.840 0.042 0.000 0.769 342 L CB -1.691 40.381 42.059 0.021 0.000 0.908 342 L HN 0.987 nan 8.230 nan 0.000 0.438 343 T N -1.188 113.407 114.554 0.069 0.000 2.809 343 T HA -0.133 4.128 4.350 -0.147 0.000 0.260 343 T C 1.770 176.544 174.700 0.124 0.000 1.039 343 T CA 1.301 63.444 62.100 0.071 0.000 1.141 343 T CB -0.051 68.845 68.868 0.046 0.000 0.869 343 T HN 0.419 nan 8.240 nan 0.000 0.437 344 Q N 0.984 120.887 119.800 0.172 0.000 2.061 344 Q HA -0.165 4.087 4.340 -0.147 0.000 0.204 344 Q C 2.570 178.818 176.000 0.414 0.000 0.984 344 Q CA 1.440 57.433 55.803 0.317 0.000 0.846 344 Q CB -0.216 28.728 28.738 0.342 0.000 0.902 344 Q HN 0.586 nan 8.270 nan 0.000 0.421 345 Q N -0.129 119.838 119.800 0.277 0.000 2.096 345 Q HA -0.145 4.107 4.340 -0.147 0.000 0.204 345 Q C 2.289 178.377 176.000 0.147 0.000 0.982 345 Q CA 1.548 57.498 55.803 0.244 0.000 0.850 345 Q CB -0.001 28.782 28.738 0.074 0.000 0.901 345 Q HN 0.251 nan 8.270 nan 0.000 0.422 346 S N 0.111 115.863 115.700 0.087 0.000 2.368 346 S HA -0.171 4.211 4.470 -0.147 0.000 0.224 346 S C 1.599 176.225 174.600 0.042 0.000 1.029 346 S CA 1.169 59.390 58.200 0.034 0.000 0.988 346 S CB -0.424 62.792 63.200 0.027 0.000 0.838 346 S HN 0.446 nan 8.310 nan 0.000 0.462 347 Y N 1.828 122.107 120.300 -0.035 0.000 2.070 347 Y HA -0.174 4.287 4.550 -0.147 0.000 0.280 347 Y C 1.791 177.595 175.900 -0.161 0.000 1.148 347 Y CA 1.325 59.331 58.100 -0.158 0.000 1.125 347 Y CB -0.889 37.379 38.460 -0.321 0.000 0.975 347 Y HN 0.188 nan 8.280 nan 0.000 0.492 348 F N 0.154 119.855 119.950 -0.415 0.000 2.269 348 F HA -0.236 4.203 4.527 -0.147 0.000 0.301 348 F C 2.719 178.379 175.800 -0.234 0.000 1.082 348 F CA 1.763 59.458 58.000 -0.508 0.000 1.360 348 F CB -0.635 38.217 39.000 -0.247 0.000 1.041 348 F HN 0.228 nan 8.300 nan 0.000 0.512 349 M N -0.477 119.183 119.600 0.100 0.000 2.086 349 M HA -0.245 4.146 4.480 -0.147 0.000 0.261 349 M C 2.077 178.342 176.300 -0.057 0.000 1.067 349 M CA 1.872 57.214 55.300 0.069 0.000 1.116 349 M CB -0.171 32.413 32.600 -0.026 0.000 1.348 349 M HN 0.149 nan 8.290 nan 0.000 0.407 350 M N -0.158 119.361 119.600 -0.134 0.000 2.200 350 M HA -0.049 4.343 4.480 -0.147 0.000 0.265 350 M C 2.348 178.542 176.300 -0.176 0.000 1.066 350 M CA 1.426 56.649 55.300 -0.129 0.000 1.127 350 M CB -0.502 32.045 32.600 -0.089 0.000 1.379 350 M HN 0.524 nan 8.290 nan 0.000 0.420 351 A N -0.042 122.560 122.820 -0.362 0.000 1.933 351 A HA -0.125 4.107 4.320 -0.147 0.000 0.218 351 A C 2.169 179.646 177.584 -0.178 0.000 1.175 351 A CA 2.049 53.883 52.037 -0.339 0.000 0.628 351 A CB -1.029 17.551 19.000 -0.699 0.000 0.814 351 A HN 0.429 nan 8.150 nan 0.000 0.444 352 T N -0.052 114.429 114.554 -0.121 0.000 2.821 352 T HA -0.106 4.156 4.350 -0.147 0.000 0.267 352 T C 1.913 176.598 174.700 -0.024 0.000 1.046 352 T CA 1.656 63.747 62.100 -0.014 0.000 1.139 352 T CB -0.288 68.638 68.868 0.097 0.000 0.871 352 T HN 0.443 nan 8.240 nan 0.000 0.454 353 M N 0.622 120.198 119.600 -0.039 0.000 2.159 353 M HA -0.085 4.307 4.480 -0.147 0.000 0.263 353 M C 2.383 178.671 176.300 -0.021 0.000 1.063 353 M CA 1.085 56.368 55.300 -0.029 0.000 1.110 353 M CB -0.543 32.035 32.600 -0.035 0.000 1.374 353 M HN 0.090 nan 8.290 nan 0.000 0.411 354 V N 0.892 120.786 119.914 -0.033 0.000 2.380 354 V HA -0.294 3.738 4.120 -0.147 0.000 0.251 354 V C 2.166 178.254 176.094 -0.010 0.000 1.063 354 V CA 1.747 64.033 62.300 -0.024 0.000 1.055 354 V CB -0.706 31.096 31.823 -0.035 0.000 0.657 354 V HN 0.480 nan 8.190 nan 0.000 0.455 355 I N 0.568 121.132 120.570 -0.010 0.000 2.315 355 I HA -0.288 3.794 4.170 -0.147 0.000 0.251 355 I C 2.632 178.784 176.117 0.058 0.000 1.125 355 I CA 1.394 62.703 61.300 0.015 0.000 1.392 355 I CB -0.681 37.334 38.000 0.025 0.000 1.065 355 I HN 0.333 nan 8.210 nan 0.000 0.424 356 A N 0.627 123.475 122.820 0.047 0.000 1.978 356 A HA -0.152 4.080 4.320 -0.147 0.000 0.220 356 A C 2.422 180.029 177.584 0.038 0.000 1.170 356 A CA 1.772 53.837 52.037 0.047 0.000 0.636 356 A CB -0.796 18.218 19.000 0.023 0.000 0.810 356 A HN 0.277 nan 8.150 nan 0.000 0.448 357 V N 0.912 120.844 119.914 0.029 0.000 2.229 357 V HA -0.143 3.889 4.120 -0.147 0.000 0.243 357 V C -0.022 176.084 176.094 0.020 0.000 1.042 357 V CA 2.265 64.582 62.300 0.028 0.000 1.000 357 V CB -1.685 30.149 31.823 0.019 0.000 0.637 357 V HN 0.434 nan 8.190 nan 0.000 0.446 358 P HA -0.108 nan 4.420 nan 0.000 0.218 358 P C 1.653 178.933 177.300 -0.033 0.000 1.149 358 P CA 1.599 64.696 63.100 -0.004 0.000 0.817 358 P CB -0.278 31.426 31.700 0.007 0.000 0.785 359 T N -0.494 114.069 114.554 0.016 0.000 2.777 359 T HA -0.062 4.200 4.350 -0.147 0.000 0.266 359 T C 2.168 176.807 174.700 -0.102 0.000 1.040 359 T CA 1.717 63.828 62.100 0.017 0.000 1.141 359 T CB -1.229 67.769 68.868 0.218 0.000 0.868 359 T HN 0.183 nan 8.240 nan 0.000 0.444 360 G N 1.505 110.251 108.800 -0.090 0.000 2.440 360 G HA2 -0.167 3.705 3.960 -0.147 0.000 0.218 360 G HA3 -0.167 3.705 3.960 -0.147 0.000 0.218 360 G C 1.531 176.305 174.900 -0.210 0.000 1.154 360 G CA 0.559 45.522 45.100 -0.228 0.000 0.767 360 G HN 0.487 nan 8.290 nan 0.000 0.552 361 I N 0.577 121.115 120.570 -0.053 0.000 2.151 361 I HA -0.288 3.794 4.170 -0.147 0.000 0.243 361 I C 2.987 178.979 176.117 -0.208 0.000 1.080 361 I CA 1.466 62.747 61.300 -0.032 0.000 1.339 361 I CB -0.173 37.808 38.000 -0.032 0.000 1.039 361 I HN 0.226 nan 8.210 nan 0.000 0.409 362 M N -0.347 119.009 119.600 -0.407 0.000 2.132 362 M HA -0.170 4.222 4.480 -0.147 0.000 0.263 362 M C 2.323 178.079 176.300 -0.907 0.000 1.065 362 M CA 1.488 56.276 55.300 -0.855 0.000 1.122 362 M CB -0.357 31.562 32.600 -1.136 0.000 1.365 362 M HN 0.165 nan 8.290 nan 0.000 0.411 363 I N 0.151 120.440 120.570 -0.467 0.000 2.163 363 I HA -0.253 3.829 4.170 -0.147 0.000 0.243 363 I C 2.339 178.397 176.117 -0.098 0.000 1.085 363 I CA 1.939 63.166 61.300 -0.123 0.000 1.347 363 I CB -1.137 36.712 38.000 -0.252 0.000 1.044 363 I HN 0.178 nan 8.210 nan 0.000 0.408 364 F N 1.240 121.147 119.950 -0.071 0.000 2.259 364 F HA -0.085 4.354 4.527 -0.146 0.000 0.298 364 F C 2.821 178.490 175.800 -0.219 0.000 1.088 364 F CA 0.804 58.733 58.000 -0.119 0.000 1.358 364 F CB -1.325 37.587 39.000 -0.147 0.000 1.040 364 F HN -0.015 nan 8.300 nan 0.000 0.505 365 S N -0.899 114.743 115.700 -0.098 0.000 2.368 365 S HA -0.187 4.195 4.470 -0.147 0.000 0.225 365 S C 1.896 176.477 174.600 -0.031 0.000 1.030 365 S CA 1.058 59.161 58.200 -0.162 0.000 0.999 365 S CB -0.436 62.675 63.200 -0.148 0.000 0.844 365 S HN 0.388 nan 8.310 nan 0.000 0.459 366 W N 1.635 122.947 121.300 0.019 0.000 2.358 366 W HA 0.077 4.649 4.660 -0.147 0.000 0.303 366 W C 2.032 178.585 176.519 0.056 0.000 1.208 366 W CA 0.185 57.552 57.345 0.038 0.000 1.274 366 W CB -1.120 28.354 29.460 0.024 0.000 1.138 366 W HN 0.313 nan 8.180 nan 0.000 0.515 367 I N 0.278 121.013 120.570 0.276 0.000 2.315 367 I HA -0.247 3.835 4.170 -0.147 0.000 0.248 367 I C 2.536 178.762 176.117 0.181 0.000 1.117 367 I CA 1.433 62.874 61.300 0.236 0.000 1.404 367 I CB -0.929 37.222 38.000 0.250 0.000 1.071 367 I HN -0.188 nan 8.210 nan 0.000 0.419 368 A N 0.478 123.282 122.820 -0.027 0.000 1.969 368 A HA -0.155 4.077 4.320 -0.147 0.000 0.218 368 A C 2.361 180.006 177.584 0.101 0.000 1.169 368 A CA 2.109 54.026 52.037 -0.201 0.000 0.635 368 A CB -0.930 17.428 19.000 -1.069 0.000 0.810 368 A HN 0.381 nan 8.150 nan 0.000 0.445 369 T N 0.364 115.027 114.554 0.182 0.000 2.746 369 T HA -0.147 4.115 4.350 -0.147 0.000 0.267 369 T C 1.935 176.753 174.700 0.195 0.000 1.039 369 T CA 1.756 64.005 62.100 0.250 0.000 1.142 369 T CB -0.333 68.692 68.868 0.262 0.000 0.866 369 T HN 0.478 nan 8.240 nan 0.000 0.444 370 M N -0.465 119.248 119.600 0.189 0.000 2.159 370 M HA -0.010 4.382 4.480 -0.147 0.000 0.263 370 M C 1.129 177.513 176.300 0.140 0.000 1.063 370 M CA 0.703 56.084 55.300 0.134 0.000 1.110 370 M CB -0.263 32.415 32.600 0.130 0.000 1.374 370 M HN 0.311 nan 8.290 nan 0.000 0.411 371 W N 2.109 123.425 121.300 0.027 0.000 2.417 371 W HA 0.109 4.681 4.660 -0.147 0.000 0.332 371 W C 0.874 177.410 176.519 0.029 0.000 1.413 371 W CA 1.774 59.130 57.345 0.018 0.000 1.299 371 W CB 0.066 29.526 29.460 -0.000 0.000 1.304 371 W HN 0.616 nan 8.180 nan 0.000 0.565 372 G N 3.733 112.468 108.800 -0.108 0.000 2.155 372 G HA2 -0.251 3.621 3.960 -0.147 0.000 0.257 372 G HA3 -0.251 3.621 3.960 -0.147 0.000 0.257 372 G C 0.362 175.256 174.900 -0.010 0.000 0.983 372 G CA 0.133 45.223 45.100 -0.017 0.000 0.676 372 G HN 0.927 nan 8.290 nan 0.000 0.528 373 G N -0.945 107.835 108.800 -0.032 0.000 2.510 373 G HA2 0.566 4.438 3.960 -0.147 0.000 0.280 373 G HA3 0.566 4.438 3.960 -0.147 0.000 0.280 373 G C 0.147 175.004 174.900 -0.072 0.000 1.386 373 G CA 0.597 45.667 45.100 -0.049 0.000 1.047 373 G HN 1.110 nan 8.290 nan 0.000 0.527 374 S N -0.441 115.210 115.700 -0.082 0.000 2.542 374 S HA 0.443 4.825 4.470 -0.147 0.000 0.245 374 S C -0.317 174.253 174.600 -0.051 0.000 1.325 374 S CA -0.581 57.581 58.200 -0.064 0.000 1.176 374 S CB -0.295 62.871 63.200 -0.056 0.000 1.045 374 S HN 0.357 nan 8.310 nan 0.000 0.481 375 I N 3.691 124.233 120.570 -0.045 0.000 2.352 375 I HA 0.296 4.378 4.170 -0.147 0.000 0.290 375 I C 0.496 176.608 176.117 -0.009 0.000 1.036 375 I CA -0.115 61.167 61.300 -0.030 0.000 1.336 375 I CB 0.966 38.937 38.000 -0.050 0.000 1.407 375 I HN 0.546 nan 8.210 nan 0.000 0.497 376 E N 7.078 127.299 120.200 0.034 0.000 2.113 376 E HA 0.309 4.571 4.350 -0.147 0.000 0.273 376 E C -0.552 176.024 176.600 -0.040 0.000 0.924 376 E CA -0.593 55.840 56.400 0.054 0.000 0.764 376 E CB 1.005 30.812 29.700 0.179 0.000 1.104 376 E HN 0.606 nan 8.360 nan 0.000 0.406 377 L N 5.341 126.508 121.223 -0.093 0.000 2.955 377 L HA 0.179 4.431 4.340 -0.147 0.000 0.238 377 L C 0.550 177.263 176.870 -0.261 0.000 1.359 377 L CA -0.132 54.589 54.840 -0.199 0.000 1.214 377 L CB -0.514 41.458 42.059 -0.146 0.000 1.600 377 L HN 0.296 nan 8.230 nan 0.000 0.442 378 K N -0.227 119.964 120.400 -0.348 0.000 2.149 378 K HA 0.156 4.388 4.320 -0.147 0.000 0.245 378 K C 1.327 177.616 176.600 -0.519 0.000 1.024 378 K CA -0.148 55.937 56.287 -0.338 0.000 0.899 378 K CB 0.998 33.302 32.500 -0.327 0.000 1.038 378 K HN 0.051 nan 8.250 nan 0.000 0.496 379 T N 2.392 116.745 114.554 -0.334 0.000 2.624 379 T HA -0.128 4.134 4.350 -0.147 0.000 0.268 379 T C -1.104 173.285 174.700 -0.517 0.000 1.041 379 T CA 1.679 63.476 62.100 -0.504 0.000 1.159 379 T CB -0.847 67.712 68.868 -0.515 0.000 0.863 379 T HN 0.475 nan 8.240 nan 0.000 0.434 380 P HA -0.039 nan 4.420 nan 0.000 0.218 380 P C 1.532 178.552 177.300 -0.466 0.000 1.148 380 P CA 0.910 63.852 63.100 -0.264 0.000 0.822 380 P CB -0.112 31.424 31.700 -0.273 0.000 0.784 381 M N -1.197 117.912 119.600 -0.818 0.000 2.200 381 M HA -0.042 4.350 4.480 -0.147 0.000 0.265 381 M C 1.805 177.776 176.300 -0.549 0.000 1.066 381 M CA 1.631 56.553 55.300 -0.630 0.000 1.127 381 M CB -1.298 30.900 32.600 -0.670 0.000 1.379 381 M HN -0.200 nan 8.290 nan 0.000 0.420 382 L N -1.672 119.072 121.223 -0.797 0.000 2.046 382 L HA -0.208 4.044 4.340 -0.147 0.000 0.208 382 L C 2.168 178.391 176.870 -1.078 0.000 1.077 382 L CA 1.535 55.617 54.840 -1.265 0.000 0.747 382 L CB -0.855 39.951 42.059 -2.089 0.000 0.896 382 L HN 0.417 nan 8.230 nan 0.000 0.432 383 W N -0.260 120.687 121.300 -0.587 0.000 2.338 383 W HA -0.209 4.364 4.660 -0.145 0.000 0.304 383 W C 2.740 179.317 176.519 0.097 0.000 1.212 383 W CA 0.879 58.179 57.345 -0.076 0.000 1.264 383 W CB -0.420 28.981 29.460 -0.098 0.000 1.142 383 W HN 0.106 nan 8.180 nan 0.000 0.512 384 A N 0.215 123.082 122.820 0.079 0.000 1.902 384 A HA -0.167 4.065 4.320 -0.147 0.000 0.217 384 A C 1.934 179.557 177.584 0.064 0.000 1.181 384 A CA 1.570 53.592 52.037 -0.025 0.000 0.623 384 A CB -0.986 17.878 19.000 -0.226 0.000 0.818 384 A HN 0.320 nan 8.150 nan 0.000 0.443 385 L N -0.912 120.309 121.223 -0.004 0.000 2.109 385 L HA -0.036 4.216 4.340 -0.147 0.000 0.207 385 L C 2.849 179.850 176.870 0.218 0.000 1.086 385 L CA 0.875 55.743 54.840 0.047 0.000 0.760 385 L CB -0.912 41.093 42.059 -0.090 0.000 0.910 385 L HN 0.464 nan 8.230 nan 0.000 0.437 386 G N 0.198 109.195 108.800 0.328 0.000 2.446 386 G HA2 -0.360 3.512 3.960 -0.147 0.000 0.217 386 G HA3 -0.360 3.512 3.960 -0.147 0.000 0.217 386 G C 1.518 176.719 174.900 0.501 0.000 1.168 386 G CA 0.857 46.336 45.100 0.631 0.000 0.771 386 G HN 0.308 nan 8.290 nan 0.000 0.551 387 F N 1.393 121.573 119.950 0.382 0.000 2.091 387 F HA -0.122 4.316 4.527 -0.147 0.000 0.299 387 F C 2.482 178.384 175.800 0.170 0.000 1.103 387 F CA 1.539 59.660 58.000 0.201 0.000 1.228 387 F CB -0.253 38.827 39.000 0.133 0.000 0.984 387 F HN 0.075 nan 8.300 nan 0.000 0.477 388 L N -1.078 120.355 121.223 0.350 0.000 2.017 388 L HA -0.223 4.029 4.340 -0.147 0.000 0.208 388 L C 2.457 179.458 176.870 0.218 0.000 1.073 388 L CA 1.683 56.684 54.840 0.268 0.000 0.745 388 L CB -1.041 41.181 42.059 0.271 0.000 0.894 388 L HN 0.270 nan 8.230 nan 0.000 0.432 389 F N 0.827 120.853 119.950 0.127 0.000 2.075 389 F HA -0.194 4.245 4.527 -0.147 0.000 0.297 389 F C 2.171 178.015 175.800 0.072 0.000 1.113 389 F CA 1.610 59.685 58.000 0.124 0.000 1.218 389 F CB -0.233 38.889 39.000 0.204 0.000 0.984 389 F HN -0.153 nan 8.300 nan 0.000 0.472 390 L N -1.302 119.879 121.223 -0.070 0.000 2.131 390 L HA -0.121 4.131 4.340 -0.147 0.000 0.206 390 L C 2.395 179.142 176.870 -0.204 0.000 1.087 390 L CA 1.044 55.768 54.840 -0.193 0.000 0.767 390 L CB -0.889 41.065 42.059 -0.176 0.000 0.917 390 L HN 0.195 nan 8.230 nan 0.000 0.441 391 F N 1.063 120.755 119.950 -0.430 0.000 2.171 391 F HA -0.224 4.215 4.527 -0.147 0.000 0.300 391 F C 2.426 178.073 175.800 -0.255 0.000 1.090 391 F CA 1.849 59.583 58.000 -0.443 0.000 1.293 391 F CB -0.294 38.205 39.000 -0.835 0.000 1.013 391 F HN -0.061 nan 8.300 nan 0.000 0.486 392 T N -0.029 114.444 114.554 -0.135 0.000 2.720 392 T HA -0.180 4.082 4.350 -0.147 0.000 0.268 392 T C 2.172 176.684 174.700 -0.314 0.000 1.037 392 T CA 1.656 63.649 62.100 -0.178 0.000 1.144 392 T CB -0.688 68.133 68.868 -0.079 0.000 0.864 392 T HN 0.126 nan 8.240 nan 0.000 0.444 393 V N 1.373 121.037 119.914 -0.418 0.000 2.332 393 V HA -0.128 3.904 4.120 -0.147 0.000 0.248 393 V C 2.857 178.671 176.094 -0.466 0.000 1.055 393 V CA 2.059 64.056 62.300 -0.505 0.000 1.038 393 V CB -1.314 30.071 31.823 -0.729 0.000 0.651 393 V HN 0.610 nan 8.190 nan 0.000 0.450 394 G N -0.303 108.253 108.800 -0.407 0.000 2.408 394 G HA2 -0.109 3.763 3.960 -0.147 0.000 0.217 394 G HA3 -0.109 3.763 3.960 -0.147 0.000 0.217 394 G C 1.601 176.342 174.900 -0.265 0.000 1.150 394 G CA 0.872 45.778 45.100 -0.323 0.000 0.776 394 G HN 0.586 nan 8.290 nan 0.000 0.542 395 G N 0.767 109.293 108.800 -0.456 0.000 2.402 395 G HA2 -0.124 3.748 3.960 -0.147 0.000 0.216 395 G HA3 -0.124 3.748 3.960 -0.147 0.000 0.216 395 G C 1.954 176.744 174.900 -0.184 0.000 1.162 395 G CA 1.934 46.816 45.100 -0.363 0.000 0.777 395 G HN 0.751 nan 8.290 nan 0.000 0.539 396 V N 0.071 119.872 119.914 -0.188 0.000 2.515 396 V HA -0.097 3.935 4.120 -0.147 0.000 0.250 396 V C 2.815 178.836 176.094 -0.123 0.000 1.058 396 V CA 2.471 64.690 62.300 -0.135 0.000 1.064 396 V CB -1.316 30.430 31.823 -0.128 0.000 0.675 396 V HN 0.453 nan 8.190 nan 0.000 0.461 397 T N -1.666 112.799 114.554 -0.148 0.000 2.951 397 T HA 0.078 4.340 4.350 -0.147 0.000 0.268 397 T C 2.055 176.649 174.700 -0.176 0.000 1.073 397 T CA 1.211 63.244 62.100 -0.111 0.000 1.134 397 T CB -0.812 67.925 68.868 -0.218 0.000 0.884 397 T HN 0.629 nan 8.240 nan 0.000 0.479 398 G N 2.013 110.653 108.800 -0.266 0.000 2.442 398 G HA2 -0.112 3.760 3.960 -0.147 0.000 0.219 398 G HA3 -0.112 3.760 3.960 -0.147 0.000 0.219 398 G C 1.470 176.207 174.900 -0.272 0.000 1.141 398 G CA 0.786 45.578 45.100 -0.513 0.000 0.763 398 G HN 0.453 nan 8.290 nan 0.000 0.554 399 I N 0.851 121.333 120.570 -0.148 0.000 2.252 399 I HA -0.090 3.992 4.170 -0.147 0.000 0.245 399 I C 2.999 179.075 176.117 -0.068 0.000 1.102 399 I CA 0.569 61.814 61.300 -0.092 0.000 1.385 399 I CB -1.093 36.871 38.000 -0.059 0.000 1.064 399 I HN 0.034 nan 8.210 nan 0.000 0.414 400 V N 1.318 121.205 119.914 -0.045 0.000 2.278 400 V HA -0.295 3.737 4.120 -0.147 0.000 0.251 400 V C 2.581 178.683 176.094 0.013 0.000 1.062 400 V CA 1.785 64.087 62.300 0.004 0.000 1.038 400 V CB -0.684 31.181 31.823 0.069 0.000 0.646 400 V HN 0.347 nan 8.190 nan 0.000 0.447 401 L N 0.783 121.991 121.223 -0.024 0.000 2.275 401 L HA -0.109 4.143 4.340 -0.147 0.000 0.215 401 L C 2.638 179.521 176.870 0.022 0.000 1.119 401 L CA 1.454 56.291 54.840 -0.004 0.000 0.790 401 L CB -0.628 41.351 42.059 -0.133 0.000 0.919 401 L HN 0.573 nan 8.230 nan 0.000 0.443 402 S N -1.301 114.371 115.700 -0.045 0.000 2.423 402 S HA -0.121 4.261 4.470 -0.147 0.000 0.231 402 S C 1.115 175.750 174.600 0.058 0.000 1.014 402 S CA 0.388 58.610 58.200 0.037 0.000 0.965 402 S CB -0.245 62.928 63.200 -0.045 0.000 0.785 402 S HN 0.321 nan 8.310 nan 0.000 0.495 403 Q N 1.498 121.278 119.800 -0.032 0.000 2.381 403 Q HA 0.462 4.714 4.340 -0.147 0.000 0.243 403 Q C 1.305 177.164 176.000 -0.235 0.000 1.154 403 Q CA 0.427 56.158 55.803 -0.120 0.000 0.899 403 Q CB 0.453 29.141 28.738 -0.083 0.000 1.396 403 Q HN 0.512 nan 8.270 nan 0.000 0.485 404 A N 2.942 125.427 122.820 -0.558 0.000 1.958 404 A HA -0.285 3.947 4.320 -0.147 0.000 0.221 404 A C 2.152 179.512 177.584 -0.373 0.000 1.178 404 A CA 2.297 53.807 52.037 -0.878 0.000 0.642 404 A CB -0.371 17.906 19.000 -1.206 0.000 0.816 404 A HN 0.723 nan 8.150 nan 0.000 0.453 405 S N -0.769 114.779 115.700 -0.254 0.000 2.399 405 S HA -0.094 4.288 4.470 -0.147 0.000 0.231 405 S C 1.613 176.134 174.600 -0.132 0.000 1.022 405 S CA 1.511 59.615 58.200 -0.159 0.000 0.983 405 S CB -0.649 62.474 63.200 -0.129 0.000 0.803 405 S HN 0.306 nan 8.310 nan 0.000 0.480 406 V N 1.943 121.777 119.914 -0.133 0.000 2.825 406 V HA 0.026 4.058 4.120 -0.147 0.000 0.246 406 V C 2.319 178.353 176.094 -0.100 0.000 1.068 406 V CA 1.419 63.628 62.300 -0.152 0.000 1.088 406 V CB -0.705 31.041 31.823 -0.128 0.000 0.733 406 V HN 0.456 nan 8.190 nan 0.000 0.468 407 D N 0.377 120.779 120.400 0.004 0.000 2.263 407 D HA -0.205 4.347 4.640 -0.147 0.000 0.208 407 D C 2.158 178.536 176.300 0.130 0.000 0.971 407 D CA 0.810 54.896 54.000 0.144 0.000 0.867 407 D CB 0.012 40.957 40.800 0.242 0.000 0.929 407 D HN 0.165 nan 8.370 nan 0.000 0.492 408 R N -0.964 119.555 120.500 0.031 0.000 2.103 408 R HA -0.205 4.047 4.340 -0.147 0.000 0.242 408 R C 1.952 178.280 176.300 0.047 0.000 1.142 408 R CA 1.513 57.632 56.100 0.033 0.000 0.960 408 R CB -0.875 29.418 30.300 -0.011 0.000 0.858 408 R HN 0.358 nan 8.270 nan 0.000 0.439 409 Y N -1.310 118.903 120.300 -0.146 0.000 2.286 409 Y HA -0.137 4.325 4.550 -0.147 0.000 0.293 409 Y C 1.243 177.072 175.900 -0.117 0.000 1.124 409 Y CA 1.452 59.428 58.100 -0.207 0.000 1.178 409 Y CB 0.005 38.206 38.460 -0.432 0.000 1.010 409 Y HN 0.097 nan 8.280 nan 0.000 0.536 410 Y N -1.232 119.165 120.300 0.161 0.000 2.490 410 Y HA 0.040 4.502 4.550 -0.147 0.000 0.285 410 Y C 0.880 176.832 175.900 0.086 0.000 1.117 410 Y CA 0.415 58.573 58.100 0.096 0.000 1.262 410 Y CB -1.164 37.275 38.460 -0.036 0.000 1.043 410 Y HN 0.065 nan 8.280 nan 0.000 0.553 411 H N 1.652 120.830 119.070 0.179 0.000 3.094 411 H HA -0.018 4.450 4.556 -0.147 0.000 0.320 411 H C 0.642 176.022 175.328 0.087 0.000 1.000 411 H CA 0.672 56.795 56.048 0.125 0.000 1.413 411 H CB 0.001 29.825 29.762 0.103 0.000 1.405 411 H HN 0.246 nan 8.280 nan 0.000 0.586 412 D N 2.418 122.432 120.400 -0.644 0.000 2.870 412 D HA -0.205 4.347 4.640 -0.147 0.000 0.228 412 D C -0.337 175.853 176.300 -0.183 0.000 1.147 412 D CA 1.390 55.132 54.000 -0.429 0.000 0.757 412 D CB -0.839 39.719 40.800 -0.404 0.000 1.091 412 D HN 0.758 nan 8.370 nan 0.000 0.429 413 T N -4.086 110.416 114.554 -0.087 0.000 2.927 413 T HA 0.427 4.689 4.350 -0.147 0.000 0.286 413 T C 1.059 175.739 174.700 -0.033 0.000 1.040 413 T CA -0.718 61.371 62.100 -0.018 0.000 1.010 413 T CB 0.983 69.918 68.868 0.111 0.000 1.177 413 T HN -0.064 nan 8.240 nan 0.000 0.546 414 Y N -0.574 119.680 120.300 -0.076 0.000 2.574 414 Y HA 0.030 4.492 4.550 -0.147 0.000 0.294 414 Y C 2.029 177.834 175.900 -0.158 0.000 1.142 414 Y CA 0.806 58.834 58.100 -0.120 0.000 1.314 414 Y CB -0.528 37.831 38.460 -0.169 0.000 0.991 414 Y HN 0.825 nan 8.280 nan 0.000 0.555 415 Y N -0.713 119.528 120.300 -0.099 0.000 2.181 415 Y HA -0.250 4.212 4.550 -0.147 0.000 0.288 415 Y C 2.188 177.907 175.900 -0.302 0.000 1.146 415 Y CA 1.546 59.477 58.100 -0.281 0.000 1.164 415 Y CB -0.370 37.816 38.460 -0.457 0.000 0.982 415 Y HN -0.097 nan 8.280 nan 0.000 0.515 416 V N -1.131 118.778 119.914 -0.008 0.000 2.358 416 V HA -0.299 3.733 4.120 -0.147 0.000 0.246 416 V C 2.309 178.244 176.094 -0.264 0.000 1.047 416 V CA 1.668 63.969 62.300 0.001 0.000 1.035 416 V CB -0.916 30.976 31.823 0.116 0.000 0.658 416 V HN 0.311 nan 8.190 nan 0.000 0.452 417 V N 0.590 120.230 119.914 -0.457 0.000 2.380 417 V HA -0.305 3.727 4.120 -0.147 0.000 0.251 417 V C 2.697 178.302 176.094 -0.816 0.000 1.063 417 V CA 2.172 63.931 62.300 -0.902 0.000 1.055 417 V CB -1.257 30.188 31.823 -0.630 0.000 0.657 417 V HN 0.567 nan 8.190 nan 0.000 0.455 418 A N -0.215 122.249 122.820 -0.593 0.000 1.873 418 A HA -0.257 3.975 4.320 -0.147 0.000 0.215 418 A C 2.110 179.369 177.584 -0.543 0.000 1.186 418 A CA 2.043 53.691 52.037 -0.648 0.000 0.616 418 A CB -0.858 17.374 19.000 -1.280 0.000 0.823 418 A HN 0.770 nan 8.150 nan 0.000 0.442 419 H N 0.365 119.073 119.070 -0.603 0.000 2.265 419 H HA -0.258 4.210 4.556 -0.147 0.000 0.293 419 H C 1.628 176.784 175.328 -0.286 0.000 1.089 419 H CA 2.795 58.613 56.048 -0.383 0.000 1.244 419 H CB -0.735 28.863 29.762 -0.273 0.000 1.355 419 H HN 0.609 nan 8.280 nan 0.000 0.485 420 F N -1.183 118.408 119.950 -0.598 0.000 2.456 420 F HA 0.110 4.549 4.527 -0.146 0.000 0.298 420 F C 1.906 177.289 175.800 -0.695 0.000 1.104 420 F CA 1.006 58.556 58.000 -0.749 0.000 1.435 420 F CB -1.000 37.697 39.000 -0.506 0.000 1.078 420 F HN 0.206 nan 8.300 nan 0.000 0.546 421 H N -1.694 116.919 119.070 -0.763 0.000 2.436 421 H HA 0.006 4.474 4.556 -0.147 0.000 0.294 421 H C 1.530 176.360 175.328 -0.831 0.000 1.048 421 H CA 1.909 57.382 56.048 -0.959 0.000 1.353 421 H CB -0.333 28.294 29.762 -1.892 0.000 1.414 421 H HN 0.262 nan 8.280 nan 0.000 0.536 422 Y N 0.106 120.064 120.300 -0.569 0.000 2.163 422 Y HA -0.232 4.231 4.550 -0.146 0.000 0.288 422 Y C 2.591 178.244 175.900 -0.412 0.000 1.136 422 Y CA 1.445 59.284 58.100 -0.436 0.000 1.147 422 Y CB -0.290 37.942 38.460 -0.380 0.000 0.987 422 Y HN 0.125 nan 8.280 nan 0.000 0.509 423 V N -2.618 117.097 119.914 -0.331 0.000 2.515 423 V HA -0.250 3.782 4.120 -0.147 0.000 0.250 423 V C 1.798 177.797 176.094 -0.158 0.000 1.058 423 V CA 1.839 63.966 62.300 -0.288 0.000 1.064 423 V CB -0.609 30.960 31.823 -0.424 0.000 0.675 423 V HN 0.363 nan 8.190 nan 0.000 0.461 424 M N 0.432 119.882 119.600 -0.251 0.000 2.384 424 M HA 0.057 4.449 4.480 -0.147 0.000 0.258 424 M C 2.510 178.721 176.300 -0.149 0.000 1.130 424 M CA 1.645 56.821 55.300 -0.206 0.000 1.187 424 M CB -0.299 32.124 32.600 -0.294 0.000 1.307 424 M HN 0.386 nan 8.290 nan 0.000 0.468 425 S N 0.232 115.809 115.700 -0.206 0.000 2.470 425 S HA 0.049 4.431 4.470 -0.147 0.000 0.225 425 S C 1.284 175.887 174.600 0.005 0.000 1.006 425 S CA 0.733 58.886 58.200 -0.079 0.000 0.934 425 S CB 0.119 63.285 63.200 -0.056 0.000 0.778 425 S HN 0.250 nan 8.310 nan 0.000 0.517 426 L N 0.513 121.615 121.223 -0.201 0.000 2.808 426 L HA 0.496 4.748 4.340 -0.147 0.000 0.246 426 L C 1.401 178.030 176.870 -0.402 0.000 1.153 426 L CA 0.408 54.999 54.840 -0.414 0.000 0.956 426 L CB 0.511 42.195 42.059 -0.626 0.000 1.270 426 L HN 0.327 nan 8.230 nan 0.000 0.528 427 G N -1.321 107.434 108.800 -0.075 0.000 2.446 427 G HA2 0.270 4.142 3.960 -0.147 0.000 0.200 427 G HA3 0.270 4.142 3.960 -0.147 0.000 0.200 427 G C 1.392 176.539 174.900 0.411 0.000 1.707 427 G CA 0.532 45.674 45.100 0.070 0.000 0.697 427 G HN 0.125 nan 8.290 nan 0.000 0.675 428 A N 0.252 123.215 122.820 0.239 0.000 1.883 428 A HA 0.035 4.267 4.320 -0.147 0.000 0.217 428 A C 2.528 180.176 177.584 0.106 0.000 1.186 428 A CA 2.251 54.385 52.037 0.161 0.000 0.624 428 A CB -0.891 18.112 19.000 0.006 0.000 0.822 428 A HN 0.413 nan 8.150 nan 0.000 0.444 429 V N -1.318 118.638 119.914 0.070 0.000 2.407 429 V HA -0.226 3.806 4.120 -0.147 0.000 0.248 429 V C 2.293 178.351 176.094 -0.059 0.000 1.055 429 V CA 1.929 64.180 62.300 -0.082 0.000 1.049 429 V CB -0.911 30.877 31.823 -0.057 0.000 0.662 429 V HN 0.546 nan 8.190 nan 0.000 0.455 430 F N 1.323 121.312 119.950 0.065 0.000 2.186 430 F HA -0.004 4.434 4.527 -0.147 0.000 0.299 430 F C 2.368 178.228 175.800 0.100 0.000 1.090 430 F CA 1.199 59.352 58.000 0.255 0.000 1.307 430 F CB -1.343 37.991 39.000 0.557 0.000 1.019 430 F HN 0.196 nan 8.300 nan 0.000 0.489 431 G N 0.285 109.232 108.800 0.245 0.000 2.440 431 G HA2 -0.240 3.631 3.960 -0.147 0.000 0.218 431 G HA3 -0.240 3.631 3.960 -0.147 0.000 0.218 431 G C 1.857 176.709 174.900 -0.080 0.000 1.154 431 G CA 1.120 46.202 45.100 -0.030 0.000 0.767 431 G HN 0.362 nan 8.290 nan 0.000 0.552 432 I N -0.266 120.245 120.570 -0.097 0.000 2.179 432 I HA -0.110 3.972 4.170 -0.147 0.000 0.242 432 I C 2.445 178.464 176.117 -0.164 0.000 1.088 432 I CA 0.840 62.091 61.300 -0.081 0.000 1.357 432 I CB -0.282 37.579 38.000 -0.231 0.000 1.051 432 I HN 0.035 nan 8.210 nan 0.000 0.409 433 F N 1.148 120.861 119.950 -0.395 0.000 2.186 433 F HA -0.142 4.297 4.527 -0.147 0.000 0.299 433 F C 2.651 178.150 175.800 -0.502 0.000 1.090 433 F CA 0.945 58.502 58.000 -0.737 0.000 1.307 433 F CB -1.310 36.548 39.000 -1.904 0.000 1.019 433 F HN 0.001 nan 8.300 nan 0.000 0.489 434 A N 0.376 123.062 122.820 -0.223 0.000 1.892 434 A HA -0.145 4.087 4.320 -0.147 0.000 0.218 434 A C 2.624 180.135 177.584 -0.121 0.000 1.188 434 A CA 2.083 54.079 52.037 -0.067 0.000 0.631 434 A CB -1.569 17.355 19.000 -0.126 0.000 0.822 434 A HN 0.407 nan 8.150 nan 0.000 0.447 435 G N -0.477 108.172 108.800 -0.252 0.000 2.403 435 G HA2 -0.097 3.774 3.960 -0.147 0.000 0.216 435 G HA3 -0.097 3.774 3.960 -0.147 0.000 0.216 435 G C 1.534 176.423 174.900 -0.019 0.000 1.154 435 G CA 0.951 45.755 45.100 -0.492 0.000 0.784 435 G HN 0.473 nan 8.290 nan 0.000 0.538 436 I N -0.605 120.113 120.570 0.247 0.000 2.179 436 I HA -0.182 3.900 4.170 -0.147 0.000 0.242 436 I C 2.443 178.676 176.117 0.193 0.000 1.088 436 I CA 1.100 62.604 61.300 0.340 0.000 1.357 436 I CB -0.225 37.930 38.000 0.258 0.000 1.051 436 I HN 0.126 nan 8.210 nan 0.000 0.409 437 Y N -0.589 119.827 120.300 0.194 0.000 2.242 437 Y HA -0.247 4.216 4.550 -0.146 0.000 0.291 437 Y C 2.295 178.505 175.900 0.516 0.000 1.137 437 Y CA 1.426 59.586 58.100 0.100 0.000 1.181 437 Y CB -0.611 37.763 38.460 -0.144 0.000 0.989 437 Y HN 0.066 nan 8.280 nan 0.000 0.527 438 F N -1.100 119.070 119.950 0.368 0.000 2.126 438 F HA -0.264 4.174 4.527 -0.147 0.000 0.299 438 F C 1.460 177.691 175.800 0.719 0.000 1.096 438 F CA 1.620 59.846 58.000 0.376 0.000 1.255 438 F CB -0.286 38.498 39.000 -0.360 0.000 0.997 438 F HN 0.073 nan 8.300 nan 0.000 0.479 439 W N -0.931 120.674 121.300 0.507 0.000 2.975 439 W HA 0.242 4.815 4.660 -0.145 0.000 0.316 439 W C 2.046 178.766 176.519 0.336 0.000 1.131 439 W CA -0.338 57.201 57.345 0.323 0.000 1.624 439 W CB -0.732 28.762 29.460 0.056 0.000 1.038 439 W HN 0.008 nan 8.180 nan 0.000 0.571 440 I N 0.526 121.404 120.570 0.514 0.000 2.264 440 I HA -0.194 3.888 4.170 -0.147 0.000 0.248 440 I C 2.281 178.524 176.117 0.210 0.000 1.111 440 I CA 2.076 63.551 61.300 0.291 0.000 1.382 440 I CB -0.495 37.618 38.000 0.189 0.000 1.060 440 I HN -0.085 nan 8.210 nan 0.000 0.418 441 G N 0.593 109.521 108.800 0.213 0.000 2.421 441 G HA2 -0.346 3.526 3.960 -0.147 0.000 0.216 441 G HA3 -0.346 3.526 3.960 -0.147 0.000 0.216 441 G C 1.631 176.636 174.900 0.176 0.000 1.171 441 G CA 1.061 46.107 45.100 -0.090 0.000 0.775 441 G HN 0.274 nan 8.290 nan 0.000 0.543 442 K N 0.391 121.103 120.400 0.519 0.000 2.097 442 K HA 0.054 4.286 4.320 -0.147 0.000 0.206 442 K C 2.468 179.167 176.600 0.165 0.000 1.049 442 K CA 1.351 57.868 56.287 0.384 0.000 0.933 442 K CB -0.376 32.293 32.500 0.281 0.000 0.717 442 K HN 0.382 nan 8.250 nan 0.000 0.442 443 M N -0.457 119.199 119.600 0.093 0.000 2.334 443 M HA -0.020 4.372 4.480 -0.147 0.000 0.266 443 M C 1.863 178.163 176.300 0.001 0.000 1.082 443 M CA 1.509 56.766 55.300 -0.071 0.000 1.141 443 M CB 0.063 32.498 32.600 -0.276 0.000 1.380 443 M HN 0.283 nan 8.290 nan 0.000 0.440 444 S N -1.384 114.327 115.700 0.017 0.000 2.506 444 S HA 0.332 4.714 4.470 -0.147 0.000 0.219 444 S C 1.542 176.129 174.600 -0.021 0.000 1.031 444 S CA 0.446 58.643 58.200 -0.006 0.000 0.911 444 S CB 0.548 63.740 63.200 -0.013 0.000 0.812 444 S HN 0.587 nan 8.310 nan 0.000 0.497 445 G N 1.453 110.245 108.800 -0.013 0.000 2.159 445 G HA2 -0.227 3.645 3.960 -0.147 0.000 0.256 445 G HA3 -0.227 3.645 3.960 -0.147 0.000 0.256 445 G C 0.032 174.883 174.900 -0.081 0.000 0.977 445 G CA 0.126 45.204 45.100 -0.037 0.000 0.652 445 G HN 0.610 nan 8.290 nan 0.000 0.531 446 R N -0.618 119.827 120.500 -0.092 0.000 2.744 446 R HA 0.607 4.859 4.340 -0.147 0.000 0.279 446 R C -0.781 175.442 176.300 -0.128 0.000 0.977 446 R CA -0.931 55.099 56.100 -0.117 0.000 0.906 446 R CB 1.645 31.879 30.300 -0.110 0.000 1.197 446 R HN 0.164 nan 8.270 nan 0.000 0.463 447 Q N 1.659 121.364 119.800 -0.158 0.000 2.235 447 Q HA 0.241 4.493 4.340 -0.147 0.000 0.256 447 Q C -1.324 174.642 176.000 -0.058 0.000 0.951 447 Q CA -0.685 55.000 55.803 -0.197 0.000 0.890 447 Q CB 0.994 29.522 28.738 -0.350 0.000 1.279 447 Q HN 0.478 nan 8.270 nan 0.000 0.444 448 Y N 1.443 121.773 120.300 0.049 0.000 2.301 448 Y HA 0.688 5.149 4.550 -0.147 0.000 0.328 448 Y C -2.222 173.741 175.900 0.104 0.000 1.242 448 Y CA -2.730 55.439 58.100 0.115 0.000 1.323 448 Y CB -0.095 38.501 38.460 0.226 0.000 1.266 448 Y HN 0.461 nan 8.280 nan 0.000 0.527 449 P HA 0.102 nan 4.420 nan 0.000 0.282 449 P C -0.101 177.180 177.300 -0.031 0.000 1.262 449 P CA -0.187 62.879 63.100 -0.058 0.000 0.773 449 P CB 1.809 33.383 31.700 -0.209 0.000 0.879 450 E N 4.264 124.470 120.200 0.011 0.000 2.110 450 E HA -0.151 4.111 4.350 -0.147 0.000 0.193 450 E C 1.521 178.233 176.600 0.186 0.000 0.988 450 E CA 1.437 57.938 56.400 0.169 0.000 0.804 450 E CB -0.587 29.195 29.700 0.138 0.000 0.745 450 E HN 0.631 nan 8.360 nan 0.000 0.458 451 W N 0.030 121.429 121.300 0.165 0.000 2.374 451 W HA -0.008 4.564 4.660 -0.146 0.000 0.288 451 W C 1.693 178.347 176.519 0.226 0.000 1.218 451 W CA 1.067 58.505 57.345 0.155 0.000 1.245 451 W CB -0.921 28.603 29.460 0.107 0.000 1.126 451 W HN 0.155 nan 8.180 nan 0.000 0.545 452 A N 2.144 124.479 122.820 -0.809 0.000 1.897 452 A HA 0.080 4.312 4.320 -0.147 0.000 0.215 452 A C 2.414 180.055 177.584 0.096 0.000 1.181 452 A CA 2.079 53.755 52.037 -0.602 0.000 0.620 452 A CB -1.524 16.878 19.000 -0.997 0.000 0.821 452 A HN 0.366 nan 8.150 nan 0.000 0.443 453 G N -0.049 108.808 108.800 0.096 0.000 2.440 453 G HA2 -0.243 3.629 3.960 -0.147 0.000 0.218 453 G HA3 -0.243 3.629 3.960 -0.147 0.000 0.218 453 G C 1.676 176.519 174.900 -0.096 0.000 1.154 453 G CA 1.140 46.217 45.100 -0.038 0.000 0.767 453 G HN 0.569 nan 8.290 nan 0.000 0.552 454 K N -0.538 119.862 120.400 -0.001 0.000 2.057 454 K HA 0.033 4.265 4.320 -0.147 0.000 0.206 454 K C 2.358 179.086 176.600 0.214 0.000 1.050 454 K CA 0.817 57.122 56.287 0.029 0.000 0.935 454 K CB -0.281 32.314 32.500 0.158 0.000 0.715 454 K HN 0.257 nan 8.250 nan 0.000 0.439 455 L N 1.172 122.563 121.223 0.281 0.000 2.017 455 L HA -0.210 4.042 4.340 -0.147 0.000 0.208 455 L C 2.346 179.347 176.870 0.219 0.000 1.073 455 L CA 1.856 56.852 54.840 0.259 0.000 0.745 455 L CB -0.762 41.415 42.059 0.196 0.000 0.894 455 L HN 0.302 nan 8.230 nan 0.000 0.432 456 H N -1.631 117.579 119.070 0.234 0.000 2.289 456 H HA -0.301 4.167 4.556 -0.147 0.000 0.296 456 H C 2.198 177.571 175.328 0.074 0.000 1.091 456 H CA 2.172 58.391 56.048 0.285 0.000 1.274 456 H CB -0.310 29.727 29.762 0.458 0.000 1.364 456 H HN 0.444 nan 8.280 nan 0.000 0.490 457 F N 0.502 120.151 119.950 -0.503 0.000 2.065 457 F HA -0.256 4.183 4.527 -0.147 0.000 0.298 457 F C 1.960 177.347 175.800 -0.689 0.000 1.112 457 F CA 2.016 59.285 58.000 -1.218 0.000 1.212 457 F CB -0.807 37.164 39.000 -1.715 0.000 0.975 457 F HN 0.201 nan 8.300 nan 0.000 0.476 458 W N 0.199 121.321 121.300 -0.296 0.000 2.388 458 W HA -0.145 4.427 4.660 -0.146 0.000 0.294 458 W C 2.505 178.941 176.519 -0.137 0.000 1.212 458 W CA 1.099 58.298 57.345 -0.243 0.000 1.271 458 W CB -0.418 29.015 29.460 -0.045 0.000 1.126 458 W HN 0.026 nan 8.180 nan 0.000 0.535 459 M N -0.960 118.716 119.600 0.126 0.000 2.086 459 M HA -0.240 4.152 4.480 -0.147 0.000 0.261 459 M C 2.243 178.607 176.300 0.106 0.000 1.067 459 M CA 1.587 56.958 55.300 0.118 0.000 1.116 459 M CB -0.654 32.016 32.600 0.116 0.000 1.348 459 M HN 0.020 nan 8.290 nan 0.000 0.407 460 M N 0.098 119.733 119.600 0.059 0.000 2.132 460 M HA -0.128 4.264 4.480 -0.147 0.000 0.263 460 M C 1.873 178.235 176.300 0.102 0.000 1.065 460 M CA 1.740 57.110 55.300 0.117 0.000 1.122 460 M CB -0.636 32.039 32.600 0.126 0.000 1.365 460 M HN 0.199 nan 8.290 nan 0.000 0.411 461 F N -0.446 119.343 119.950 -0.268 0.000 2.102 461 F HA -0.178 4.261 4.527 -0.147 0.000 0.298 461 F C 1.808 177.612 175.800 0.006 0.000 1.105 461 F CA 1.827 59.711 58.000 -0.193 0.000 1.239 461 F CB -0.298 38.279 39.000 -0.705 0.000 0.991 461 F HN -0.011 nan 8.300 nan 0.000 0.474 462 V N 0.057 120.049 119.914 0.130 0.000 2.283 462 V HA -0.163 3.869 4.120 -0.147 0.000 0.243 462 V C 2.735 178.830 176.094 0.002 0.000 1.039 462 V CA 1.860 64.212 62.300 0.086 0.000 1.016 462 V CB -1.540 30.381 31.823 0.163 0.000 0.650 462 V HN 0.515 nan 8.190 nan 0.000 0.449 463 G N -0.194 108.625 108.800 0.032 0.000 2.446 463 G HA2 -0.245 3.627 3.960 -0.147 0.000 0.217 463 G HA3 -0.245 3.627 3.960 -0.147 0.000 0.217 463 G C 1.762 176.626 174.900 -0.060 0.000 1.168 463 G CA 1.169 46.273 45.100 0.006 0.000 0.771 463 G HN 0.605 nan 8.290 nan 0.000 0.551 464 A N 0.892 123.704 122.820 -0.013 0.000 1.930 464 A HA -0.061 4.171 4.320 -0.147 0.000 0.217 464 A C 2.272 179.792 177.584 -0.107 0.000 1.175 464 A CA 1.702 53.730 52.037 -0.014 0.000 0.627 464 A CB -0.407 18.684 19.000 0.152 0.000 0.815 464 A HN 0.370 nan 8.150 nan 0.000 0.443 465 N N -0.009 118.596 118.700 -0.158 0.000 2.188 465 N HA -0.060 4.592 4.740 -0.147 0.000 0.184 465 N C 1.701 177.204 175.510 -0.012 0.000 1.018 465 N CA 1.149 54.152 53.050 -0.079 0.000 0.858 465 N CB -0.304 38.083 38.487 -0.167 0.000 0.989 465 N HN 0.479 nan 8.380 nan 0.000 0.426 466 L N 0.850 122.033 121.223 -0.066 0.000 2.131 466 L HA -0.134 4.118 4.340 -0.147 0.000 0.210 466 L C 2.197 178.971 176.870 -0.159 0.000 1.092 466 L CA 1.000 55.807 54.840 -0.054 0.000 0.759 466 L CB -0.555 41.475 42.059 -0.047 0.000 0.903 466 L HN 0.160 nan 8.230 nan 0.000 0.435 467 T N -0.563 113.784 114.554 -0.345 0.000 2.701 467 T HA -0.133 4.129 4.350 -0.147 0.000 0.263 467 T C 1.388 175.666 174.700 -0.703 0.000 1.040 467 T CA 1.562 63.245 62.100 -0.695 0.000 1.147 467 T CB -0.202 67.956 68.868 -1.185 0.000 0.865 467 T HN 0.140 nan 8.240 nan 0.000 0.426 468 F N -0.808 119.037 119.950 -0.176 0.000 2.622 468 F HA 0.401 4.840 4.527 -0.147 0.000 0.288 468 F C 1.712 177.461 175.800 -0.085 0.000 1.120 468 F CA -1.201 56.679 58.000 -0.200 0.000 1.423 468 F CB -0.628 38.167 39.000 -0.342 0.000 1.127 468 F HN 0.030 nan 8.300 nan 0.000 0.588 469 F N 2.455 122.469 119.950 0.108 0.000 2.134 469 F HA -0.073 4.365 4.527 -0.147 0.000 0.299 469 F C -0.791 174.747 175.800 -0.436 0.000 1.097 469 F CA 1.371 59.375 58.000 0.006 0.000 1.264 469 F CB -1.414 37.553 39.000 -0.053 0.000 1.001 469 F HN -0.130 nan 8.300 nan 0.000 0.479 470 P HA -0.140 nan 4.420 nan 0.000 0.230 470 P C 0.950 177.989 177.300 -0.436 0.000 1.158 470 P CA 1.304 64.051 63.100 -0.587 0.000 0.769 470 P CB -0.157 31.534 31.700 -0.014 0.000 0.807 471 Q N -1.700 117.883 119.800 -0.362 0.000 2.297 471 Q HA -0.159 4.093 4.340 -0.147 0.000 0.204 471 Q C 1.665 177.455 176.000 -0.350 0.000 0.962 471 Q CA 1.000 56.646 55.803 -0.261 0.000 0.879 471 Q CB -0.579 28.101 28.738 -0.096 0.000 0.947 471 Q HN 0.509 nan 8.270 nan 0.000 0.462 472 H N -0.596 118.136 119.070 -0.563 0.000 2.352 472 H HA -0.156 4.312 4.556 -0.147 0.000 0.299 472 H C 1.472 176.721 175.328 -0.131 0.000 1.097 472 H CA 1.701 57.416 56.048 -0.555 0.000 1.311 472 H CB -0.005 29.165 29.762 -0.986 0.000 1.377 472 H HN 0.197 nan 8.280 nan 0.000 0.504 473 F N 0.349 120.239 119.950 -0.100 0.000 2.102 473 F HA -0.119 4.320 4.527 -0.146 0.000 0.298 473 F C 2.274 178.133 175.800 0.098 0.000 1.105 473 F CA 0.799 58.755 58.000 -0.074 0.000 1.239 473 F CB -1.148 37.593 39.000 -0.432 0.000 0.991 473 F HN 0.073 nan 8.300 nan 0.000 0.474 474 L N -0.111 121.253 121.223 0.235 0.000 2.012 474 L HA -0.181 4.071 4.340 -0.147 0.000 0.210 474 L C 2.791 179.766 176.870 0.175 0.000 1.073 474 L CA 1.602 56.538 54.840 0.160 0.000 0.748 474 L CB -1.505 40.469 42.059 -0.142 0.000 0.891 474 L HN 0.281 nan 8.230 nan 0.000 0.431 475 G N -0.356 108.575 108.800 0.218 0.000 2.421 475 G HA2 -0.234 3.638 3.960 -0.147 0.000 0.216 475 G HA3 -0.234 3.638 3.960 -0.147 0.000 0.216 475 G C 1.730 176.936 174.900 0.510 0.000 1.171 475 G CA 0.515 45.813 45.100 0.330 0.000 0.775 475 G HN 0.278 nan 8.290 nan 0.000 0.543 476 R N -0.288 120.531 120.500 0.532 0.000 2.120 476 R HA -0.001 4.251 4.340 -0.147 0.000 0.234 476 R C 2.476 179.069 176.300 0.488 0.000 1.123 476 R CA 1.060 57.474 56.100 0.524 0.000 0.975 476 R CB -0.089 30.437 30.300 0.377 0.000 0.866 476 R HN 0.278 nan 8.270 nan 0.000 0.446 477 Q N -0.658 119.418 119.800 0.459 0.000 2.444 477 Q HA 0.066 4.318 4.340 -0.147 0.000 0.206 477 Q C 0.673 176.998 176.000 0.542 0.000 0.948 477 Q CA 0.864 56.950 55.803 0.471 0.000 0.946 477 Q CB 1.301 30.343 28.738 0.508 0.000 1.027 477 Q HN 0.590 nan 8.270 nan 0.000 0.513 478 G N 1.483 110.535 108.800 0.420 0.000 2.131 478 G HA2 -0.249 3.623 3.960 -0.147 0.000 0.201 478 G HA3 -0.249 3.623 3.960 -0.147 0.000 0.201 478 G C 0.016 174.956 174.900 0.067 0.000 1.000 478 G CA 0.191 45.405 45.100 0.191 0.000 0.680 478 G HN 0.317 nan 8.290 nan 0.000 0.514 479 M N 1.519 121.006 119.600 -0.188 0.000 2.194 479 M HA 0.375 4.767 4.480 -0.147 0.000 0.347 479 M C -2.078 174.043 176.300 -0.299 0.000 1.439 479 M CA -1.537 53.359 55.300 -0.674 0.000 1.131 479 M CB 0.677 32.559 32.600 -1.195 0.000 1.733 479 M HN -0.001 nan 8.290 nan 0.000 0.467 480 P HA 0.179 nan 4.420 nan 0.000 0.274 480 P C -1.112 176.007 177.300 -0.303 0.000 1.231 480 P CA -0.147 62.673 63.100 -0.468 0.000 0.790 480 P CB 0.517 31.663 31.700 -0.923 0.000 0.951 481 R N 1.770 122.155 120.500 -0.192 0.000 2.641 481 R HA 0.256 4.508 4.340 -0.147 0.000 0.269 481 R C 0.450 176.831 176.300 0.135 0.000 1.074 481 R CA -0.119 55.916 56.100 -0.109 0.000 1.133 481 R CB -0.011 30.214 30.300 -0.124 0.000 1.029 481 R HN 0.435 nan 8.270 nan 0.000 0.488 482 R N -0.155 120.544 120.500 0.333 0.000 3.654 482 R HA -0.179 4.073 4.340 -0.147 0.000 0.302 482 R C -1.287 175.407 176.300 0.656 0.000 1.166 482 R CA 0.589 57.013 56.100 0.540 0.000 0.810 482 R CB -1.716 28.794 30.300 0.351 0.000 1.323 482 R HN 0.419 nan 8.270 nan 0.000 0.478 483 Y N -0.052 120.353 120.300 0.175 0.000 2.335 483 Y HA 0.276 4.737 4.550 -0.147 0.000 0.339 483 Y C 1.527 176.939 175.900 -0.813 0.000 0.987 483 Y CA -1.589 56.421 58.100 -0.149 0.000 1.140 483 Y CB 0.907 39.346 38.460 -0.034 0.000 1.173 483 Y HN 0.091 nan 8.280 nan 0.000 0.486 484 I N 1.114 121.139 120.570 -0.908 0.000 2.493 484 I HA -0.158 3.924 4.170 -0.147 0.000 0.254 484 I C -0.085 175.657 176.117 -0.625 0.000 1.160 484 I CA 1.631 62.247 61.300 -1.139 0.000 1.445 484 I CB 0.295 38.033 38.000 -0.436 0.000 1.086 484 I HN 0.584 nan 8.210 nan 0.000 0.433 485 D N -1.560 118.639 120.400 -0.334 0.000 2.602 485 D HA 0.372 4.924 4.640 -0.147 0.000 0.236 485 D C -1.609 174.694 176.300 0.004 0.000 1.209 485 D CA -0.318 53.531 54.000 -0.251 0.000 0.831 485 D CB 1.540 42.190 40.800 -0.249 0.000 1.478 485 D HN 0.094 nan 8.370 nan 0.000 0.438 486 Y N -1.749 118.580 120.300 0.050 0.000 2.571 486 Y HA 0.704 5.166 4.550 -0.147 0.000 0.341 486 Y C -2.761 173.272 175.900 0.221 0.000 1.076 486 Y CA -2.425 55.788 58.100 0.188 0.000 1.029 486 Y CB 0.298 38.842 38.460 0.139 0.000 1.308 486 Y HN 0.082 nan 8.280 nan 0.000 0.461 487 P HA -0.023 nan 4.420 nan 0.000 0.264 487 P C 0.585 178.053 177.300 0.280 0.000 1.179 487 P CA 0.414 63.685 63.100 0.284 0.000 0.763 487 P CB 0.947 32.776 31.700 0.215 0.000 0.806 488 E N 3.662 123.923 120.200 0.102 0.000 2.130 488 E HA -0.265 3.997 4.350 -0.147 0.000 0.196 488 E C 1.819 178.455 176.600 0.062 0.000 0.998 488 E CA 1.979 58.426 56.400 0.078 0.000 0.806 488 E CB -0.704 28.998 29.700 0.004 0.000 0.738 488 E HN 0.486 nan 8.360 nan 0.000 0.459 489 A N -0.446 122.330 122.820 -0.074 0.000 2.076 489 A HA -0.140 4.092 4.320 -0.147 0.000 0.220 489 A C 1.517 179.010 177.584 -0.150 0.000 1.160 489 A CA 1.192 53.124 52.037 -0.174 0.000 0.653 489 A CB -0.765 18.052 19.000 -0.305 0.000 0.801 489 A HN 0.369 nan 8.150 nan 0.000 0.455 490 F N -0.491 119.525 119.950 0.110 0.000 2.773 490 F HA 0.286 4.725 4.527 -0.146 0.000 0.304 490 F C 2.243 178.014 175.800 -0.048 0.000 1.129 490 F CA -0.137 57.863 58.000 0.000 0.000 1.378 490 F CB -0.504 38.396 39.000 -0.166 0.000 1.095 490 F HN 0.249 nan 8.300 nan 0.000 0.565 491 A N -0.189 122.766 122.820 0.226 0.000 1.902 491 A HA -0.159 4.073 4.320 -0.147 0.000 0.217 491 A C 2.340 179.969 177.584 0.075 0.000 1.181 491 A CA 2.300 54.470 52.037 0.223 0.000 0.623 491 A CB -1.050 18.042 19.000 0.153 0.000 0.818 491 A HN 0.308 nan 8.150 nan 0.000 0.443 492 T N -1.296 113.209 114.554 -0.080 0.000 2.701 492 T HA -0.191 4.070 4.350 -0.147 0.000 0.263 492 T C 1.560 176.149 174.700 -0.183 0.000 1.040 492 T CA 1.555 63.487 62.100 -0.280 0.000 1.147 492 T CB -0.380 68.109 68.868 -0.631 0.000 0.865 492 T HN 0.751 nan 8.240 nan 0.000 0.426 493 W N 1.738 123.112 121.300 0.123 0.000 2.467 493 W HA 0.076 4.648 4.660 -0.147 0.000 0.275 493 W C 2.476 178.992 176.519 -0.006 0.000 1.239 493 W CA -0.419 56.995 57.345 0.116 0.000 1.266 493 W CB -0.312 29.270 29.460 0.203 0.000 1.112 493 W HN 0.183 nan 8.180 nan 0.000 0.576 494 N N 0.404 119.159 118.700 0.091 0.000 2.120 494 N HA -0.201 4.451 4.740 -0.147 0.000 0.188 494 N C 1.527 177.053 175.510 0.027 0.000 1.024 494 N CA 1.508 54.515 53.050 -0.072 0.000 0.852 494 N CB -0.814 37.508 38.487 -0.275 0.000 1.003 494 N HN 0.130 nan 8.380 nan 0.000 0.424 495 F N 2.054 121.991 119.950 -0.023 0.000 2.075 495 F HA -0.174 4.265 4.527 -0.146 0.000 0.297 495 F C 2.283 178.056 175.800 -0.044 0.000 1.113 495 F CA 1.057 59.045 58.000 -0.020 0.000 1.218 495 F CB -0.442 38.549 39.000 -0.014 0.000 0.984 495 F HN -0.242 nan 8.300 nan 0.000 0.472 496 V N -0.622 119.361 119.914 0.115 0.000 2.287 496 V HA -0.320 3.712 4.120 -0.147 0.000 0.248 496 V C 2.644 178.677 176.094 -0.102 0.000 1.053 496 V CA 2.050 64.384 62.300 0.057 0.000 1.027 496 V CB -1.211 30.811 31.823 0.333 0.000 0.646 496 V HN 0.518 nan 8.190 nan 0.000 0.447 497 S N -0.239 115.408 115.700 -0.088 0.000 2.374 497 S HA -0.242 4.139 4.470 -0.147 0.000 0.227 497 S C 2.203 176.550 174.600 -0.423 0.000 1.037 497 S CA 2.271 60.324 58.200 -0.246 0.000 1.024 497 S CB -0.348 62.715 63.200 -0.229 0.000 0.861 497 S HN 0.633 nan 8.310 nan 0.000 0.456 498 S N 1.274 116.689 115.700 -0.475 0.000 2.383 498 S HA 0.075 4.457 4.470 -0.147 0.000 0.227 498 S C 1.772 175.635 174.600 -1.228 0.000 1.026 498 S CA 1.210 58.922 58.200 -0.813 0.000 0.981 498 S CB -0.420 62.390 63.200 -0.650 0.000 0.818 498 S HN 0.471 nan 8.310 nan 0.000 0.472 499 L N 0.986 121.741 121.223 -0.780 0.000 2.056 499 L HA -0.045 4.207 4.340 -0.147 0.000 0.207 499 L C 2.795 179.468 176.870 -0.328 0.000 1.078 499 L CA 1.162 55.702 54.840 -0.500 0.000 0.749 499 L CB -1.180 40.679 42.059 -0.334 0.000 0.901 499 L HN 0.407 nan 8.230 nan 0.000 0.433 500 G N -0.156 108.456 108.800 -0.313 0.000 2.440 500 G HA2 -0.293 3.579 3.960 -0.147 0.000 0.218 500 G HA3 -0.293 3.579 3.960 -0.147 0.000 0.218 500 G C 1.753 176.503 174.900 -0.249 0.000 1.154 500 G CA 0.901 45.860 45.100 -0.236 0.000 0.767 500 G HN 0.476 nan 8.290 nan 0.000 0.552 501 A N 0.253 122.827 122.820 -0.410 0.000 1.969 501 A HA 0.191 4.423 4.320 -0.147 0.000 0.218 501 A C 2.111 179.691 177.584 -0.006 0.000 1.169 501 A CA 1.344 53.205 52.037 -0.294 0.000 0.635 501 A CB -0.410 18.343 19.000 -0.411 0.000 0.810 501 A HN 0.265 nan 8.150 nan 0.000 0.445 502 F N -0.661 119.284 119.950 -0.008 0.000 2.206 502 F HA -0.023 4.416 4.527 -0.147 0.000 0.298 502 F C 1.970 177.860 175.800 0.150 0.000 1.090 502 F CA 0.584 58.636 58.000 0.087 0.000 1.323 502 F CB -1.132 37.885 39.000 0.028 0.000 1.028 502 F HN 0.246 nan 8.300 nan 0.000 0.492 503 L N -0.115 121.249 121.223 0.236 0.000 2.046 503 L HA -0.154 4.098 4.340 -0.147 0.000 0.208 503 L C 2.338 179.331 176.870 0.204 0.000 1.077 503 L CA 1.754 56.701 54.840 0.179 0.000 0.747 503 L CB -1.151 40.968 42.059 0.099 0.000 0.896 503 L HN -0.010 nan 8.230 nan 0.000 0.432 504 S N -0.641 115.172 115.700 0.188 0.000 2.382 504 S HA -0.192 4.189 4.470 -0.147 0.000 0.228 504 S C 1.788 176.608 174.600 0.367 0.000 1.027 504 S CA 1.512 59.856 58.200 0.240 0.000 0.991 504 S CB -0.687 62.616 63.200 0.172 0.000 0.823 504 S HN 0.533 nan 8.310 nan 0.000 0.469 505 F N 2.765 122.849 119.950 0.224 0.000 2.102 505 F HA -0.057 4.382 4.527 -0.148 0.000 0.298 505 F C 2.390 178.381 175.800 0.319 0.000 1.105 505 F CA 0.758 58.926 58.000 0.281 0.000 1.239 505 F CB -1.050 38.101 39.000 0.250 0.000 0.991 505 F HN 0.170 nan 8.300 nan 0.000 0.474 506 A N -0.088 122.853 122.820 0.202 0.000 1.917 506 A HA -0.283 3.948 4.320 -0.147 0.000 0.219 506 A C 2.412 180.089 177.584 0.156 0.000 1.182 506 A CA 2.688 54.785 52.037 0.101 0.000 0.633 506 A CB -1.541 17.547 19.000 0.148 0.000 0.819 506 A HN 0.547 nan 8.150 nan 0.000 0.448 507 S N -1.864 113.984 115.700 0.245 0.000 2.423 507 S HA -0.104 4.278 4.470 -0.147 0.000 0.231 507 S C 1.759 176.593 174.600 0.390 0.000 1.014 507 S CA 1.316 59.722 58.200 0.343 0.000 0.965 507 S CB -0.552 62.875 63.200 0.379 0.000 0.785 507 S HN 0.498 nan 8.310 nan 0.000 0.495 508 F N 2.103 122.167 119.950 0.190 0.000 2.234 508 F HA 0.323 4.761 4.527 -0.148 0.000 0.296 508 F C 1.861 177.733 175.800 0.119 0.000 1.089 508 F CA 0.575 58.691 58.000 0.194 0.000 1.343 508 F CB -0.314 38.837 39.000 0.253 0.000 1.040 508 F HN 0.132 nan 8.300 nan 0.000 0.498 509 L N -1.075 120.111 121.223 -0.061 0.000 2.046 509 L HA -0.226 4.026 4.340 -0.147 0.000 0.208 509 L C 2.412 179.232 176.870 -0.084 0.000 1.077 509 L CA 1.434 56.172 54.840 -0.170 0.000 0.747 509 L CB -0.934 40.986 42.059 -0.233 0.000 0.896 509 L HN 0.191 nan 8.230 nan 0.000 0.432 510 F N 0.610 120.496 119.950 -0.107 0.000 2.102 510 F HA -0.313 4.126 4.527 -0.146 0.000 0.298 510 F C 2.419 178.121 175.800 -0.163 0.000 1.105 510 F CA 1.479 59.430 58.000 -0.081 0.000 1.239 510 F CB -0.503 38.499 39.000 0.005 0.000 0.991 510 F HN 0.007 nan 8.300 nan 0.000 0.474 511 F N 0.981 120.684 119.950 -0.412 0.000 2.087 511 F HA -0.282 4.156 4.527 -0.148 0.000 0.299 511 F C 1.915 177.411 175.800 -0.505 0.000 1.100 511 F CA 2.114 59.700 58.000 -0.690 0.000 1.226 511 F CB -0.849 37.541 39.000 -1.017 0.000 0.983 511 F HN 0.013 nan 8.300 nan 0.000 0.479 512 L N 0.034 120.866 121.223 -0.652 0.000 2.083 512 L HA -0.143 4.109 4.340 -0.147 0.000 0.209 512 L C 2.844 179.470 176.870 -0.406 0.000 1.083 512 L CA 1.225 55.703 54.840 -0.604 0.000 0.752 512 L CB -1.636 40.192 42.059 -0.386 0.000 0.899 512 L HN 0.399 nan 8.230 nan 0.000 0.433 513 G N -0.278 108.307 108.800 -0.358 0.000 2.421 513 G HA2 -0.207 3.665 3.960 -0.147 0.000 0.216 513 G HA3 -0.207 3.665 3.960 -0.147 0.000 0.216 513 G C 1.600 176.347 174.900 -0.255 0.000 1.171 513 G CA 0.923 45.873 45.100 -0.250 0.000 0.775 513 G HN 0.187 nan 8.290 nan 0.000 0.543 514 V N 1.546 121.150 119.914 -0.516 0.000 2.332 514 V HA -0.165 3.867 4.120 -0.147 0.000 0.248 514 V C 2.815 178.758 176.094 -0.251 0.000 1.055 514 V CA 1.238 63.286 62.300 -0.420 0.000 1.038 514 V CB -0.338 31.197 31.823 -0.479 0.000 0.651 514 V HN 0.283 nan 8.190 nan 0.000 0.450 515 I N -0.569 119.734 120.570 -0.445 0.000 2.179 515 I HA -0.224 3.858 4.170 -0.147 0.000 0.242 515 I C 2.338 178.387 176.117 -0.113 0.000 1.088 515 I CA 1.819 62.916 61.300 -0.339 0.000 1.357 515 I CB -1.241 36.438 38.000 -0.535 0.000 1.051 515 I HN 0.365 nan 8.210 nan 0.000 0.409 516 F N 1.264 121.098 119.950 -0.193 0.000 2.102 516 F HA -0.317 4.121 4.527 -0.148 0.000 0.298 516 F C 2.814 178.579 175.800 -0.059 0.000 1.105 516 F CA 1.678 59.616 58.000 -0.105 0.000 1.239 516 F CB -0.775 38.165 39.000 -0.100 0.000 0.991 516 F HN 0.065 nan 8.300 nan 0.000 0.474 517 Y N 1.007 121.256 120.300 -0.084 0.000 2.097 517 Y HA -0.277 4.185 4.550 -0.147 0.000 0.282 517 Y C 2.495 178.286 175.900 -0.182 0.000 1.152 517 Y CA 2.607 60.626 58.100 -0.135 0.000 1.136 517 Y CB -0.970 37.455 38.460 -0.058 0.000 0.975 517 Y HN 0.065 nan 8.280 nan 0.000 0.498 518 T N 1.357 115.923 114.554 0.020 0.000 2.684 518 T HA -0.215 4.047 4.350 -0.147 0.000 0.267 518 T C 1.918 176.507 174.700 -0.184 0.000 1.036 518 T CA 1.969 64.047 62.100 -0.036 0.000 1.148 518 T CB -0.523 68.374 68.868 0.048 0.000 0.863 518 T HN 0.341 nan 8.240 nan 0.000 0.436 519 L N 0.970 122.068 121.223 -0.208 0.000 2.240 519 L HA -0.021 4.231 4.340 -0.147 0.000 0.211 519 L C 2.920 179.612 176.870 -0.297 0.000 1.106 519 L CA 1.341 56.060 54.840 -0.202 0.000 0.793 519 L CB -0.755 41.226 42.059 -0.130 0.000 0.927 519 L HN 0.467 nan 8.230 nan 0.000 0.446 520 T N -2.315 111.963 114.554 -0.460 0.000 3.010 520 T HA -0.035 4.227 4.350 -0.147 0.000 0.252 520 T C 1.497 175.953 174.700 -0.406 0.000 1.047 520 T CA 0.174 61.989 62.100 -0.474 0.000 1.140 520 T CB 0.055 68.505 68.868 -0.698 0.000 0.885 520 T HN 0.435 nan 8.240 nan 0.000 0.464 521 R N 0.794 120.975 120.500 -0.533 0.000 2.563 521 R HA 0.449 4.701 4.340 -0.147 0.000 0.443 521 R C 0.720 176.672 176.300 -0.580 0.000 0.956 521 R CA -0.633 55.158 56.100 -0.516 0.000 1.141 521 R CB -0.075 29.927 30.300 -0.498 0.000 1.553 521 R HN 0.257 nan 8.270 nan 0.000 0.577 522 G N 1.137 109.659 108.800 -0.464 0.000 2.594 522 G HA2 0.399 4.271 3.960 -0.147 0.000 0.243 522 G HA3 0.399 4.271 3.960 -0.147 0.000 0.243 522 G C 0.100 174.919 174.900 -0.135 0.000 1.229 522 G CA -0.097 44.869 45.100 -0.224 0.000 0.843 522 G HN 0.411 nan 8.290 nan 0.000 0.578 523 A N 1.667 124.450 122.820 -0.061 0.000 2.540 523 A HA 0.264 4.496 4.320 -0.147 0.000 0.239 523 A C 1.053 178.573 177.584 -0.106 0.000 1.061 523 A CA -0.027 51.968 52.037 -0.069 0.000 0.758 523 A CB 0.079 19.047 19.000 -0.053 0.000 0.991 523 A HN 0.723 nan 8.150 nan 0.000 0.502 524 R N 1.419 121.864 120.500 -0.092 0.000 2.522 524 R HA 0.196 4.448 4.340 -0.147 0.000 0.284 524 R C -0.512 175.722 176.300 -0.110 0.000 1.032 524 R CA -0.040 56.005 56.100 -0.093 0.000 1.049 524 R CB 0.266 30.526 30.300 -0.068 0.000 0.956 524 R HN 0.525 nan 8.270 nan 0.000 0.422 525 V N 3.670 123.509 119.914 -0.125 0.000 2.488 525 V HA 0.040 4.072 4.120 -0.147 0.000 0.277 525 V C 1.379 177.443 176.094 -0.050 0.000 1.046 525 V CA 0.251 62.469 62.300 -0.136 0.000 0.986 525 V CB 1.322 33.040 31.823 -0.175 0.000 0.989 525 V HN 1.018 nan 8.190 nan 0.000 0.475 526 T N 1.077 115.617 114.554 -0.023 0.000 2.964 526 T HA 0.371 4.633 4.350 -0.147 0.000 0.249 526 T C 0.719 175.443 174.700 0.040 0.000 1.000 526 T CA 0.526 62.628 62.100 0.004 0.000 0.992 526 T CB 0.374 69.239 68.868 -0.006 0.000 1.087 526 T HN 0.760 nan 8.240 nan 0.000 0.489 527 A N 1.777 124.640 122.820 0.071 0.000 2.316 527 A HA 0.596 4.828 4.320 -0.147 0.000 0.284 527 A C 0.993 178.673 177.584 0.161 0.000 1.115 527 A CA -0.611 51.486 52.037 0.100 0.000 0.812 527 A CB 0.324 19.379 19.000 0.093 0.000 1.064 527 A HN 0.209 nan 8.150 nan 0.000 0.489 528 N N 0.748 119.526 118.700 0.130 0.000 2.120 528 N HA -0.095 4.557 4.740 -0.147 0.000 0.188 528 N C 0.187 175.834 175.510 0.229 0.000 1.024 528 N CA 1.391 54.537 53.050 0.161 0.000 0.852 528 N CB -0.093 38.467 38.487 0.121 0.000 1.003 528 N HN 0.685 nan 8.380 nan 0.000 0.424 529 N N 0.230 119.014 118.700 0.140 0.000 2.569 529 N HA 0.027 4.679 4.740 -0.147 0.000 0.254 529 N C -0.629 174.796 175.510 -0.142 0.000 1.004 529 N CA -0.423 52.632 53.050 0.009 0.000 0.904 529 N CB 0.253 38.748 38.487 0.014 0.000 1.165 529 N HN 0.194 nan 8.380 nan 0.000 0.513 530 Y N 1.034 121.215 120.300 -0.197 0.000 2.461 530 Y HA 0.392 4.854 4.550 -0.147 0.000 0.277 530 Y C 0.770 176.399 175.900 -0.452 0.000 1.182 530 Y CA -0.779 57.121 58.100 -0.334 0.000 1.276 530 Y CB -0.252 37.965 38.460 -0.406 0.000 1.087 530 Y HN 0.344 nan 8.280 nan 0.000 0.519 531 W N 1.970 123.040 121.300 -0.383 0.000 3.384 531 W HA 0.226 4.797 4.660 -0.147 0.000 0.263 531 W C 0.048 176.414 176.519 -0.256 0.000 1.151 531 W CA 0.292 57.430 57.345 -0.345 0.000 2.176 531 W CB -0.036 29.000 29.460 -0.706 0.000 1.303 531 W HN 0.095 nan 8.180 nan 0.000 0.543 532 N N -2.530 116.131 118.700 -0.065 0.000 3.185 532 N HA 0.208 4.860 4.740 -0.147 0.000 0.238 532 N C 0.084 175.525 175.510 -0.115 0.000 1.451 532 N CA 0.152 53.171 53.050 -0.051 0.000 0.888 532 N CB 0.357 38.854 38.487 0.017 0.000 1.413 532 N HN 0.029 nan 8.380 nan 0.000 0.511 533 E N -1.052 119.080 120.200 -0.113 0.000 2.267 533 E HA -0.218 4.044 4.350 -0.147 0.000 0.197 533 E C 0.891 177.317 176.600 -0.290 0.000 0.998 533 E CA 1.819 58.091 56.400 -0.214 0.000 0.830 533 E CB -1.214 28.310 29.700 -0.293 0.000 0.751 533 E HN 0.645 nan 8.360 nan 0.000 0.491 534 H N -0.922 118.079 119.070 -0.114 0.000 2.551 534 H HA 0.442 4.910 4.556 -0.147 0.000 0.266 534 H C 0.978 176.218 175.328 -0.148 0.000 0.977 534 H CA 0.513 56.493 56.048 -0.114 0.000 1.163 534 H CB 0.232 29.924 29.762 -0.116 0.000 1.381 534 H HN 0.469 nan 8.280 nan 0.000 0.581 535 A N 2.508 125.234 122.820 -0.156 0.000 2.671 535 A HA 0.071 4.303 4.320 -0.147 0.000 0.306 535 A C 0.185 177.759 177.584 -0.017 0.000 1.473 535 A CA -0.445 51.451 52.037 -0.236 0.000 1.155 535 A CB -0.400 18.055 19.000 -0.908 0.000 1.123 535 A HN 0.309 nan 8.150 nan 0.000 0.545 536 D N 1.148 121.625 120.400 0.127 0.000 2.501 536 D HA 0.069 4.621 4.640 -0.147 0.000 0.224 536 D C 0.493 176.905 176.300 0.187 0.000 1.202 536 D CA 0.347 54.419 54.000 0.119 0.000 0.829 536 D CB -0.376 40.436 40.800 0.020 0.000 1.023 536 D HN 0.378 nan 8.370 nan 0.000 0.499 537 T N -2.937 111.823 114.554 0.344 0.000 2.936 537 T HA 0.417 4.679 4.350 -0.147 0.000 0.282 537 T C 1.476 176.372 174.700 0.327 0.000 1.003 537 T CA -0.883 61.380 62.100 0.271 0.000 1.005 537 T CB 1.282 70.259 68.868 0.181 0.000 1.097 537 T HN -0.045 nan 8.240 nan 0.000 0.532 538 L N 0.845 122.239 121.223 0.285 0.000 2.265 538 L HA -0.074 4.178 4.340 -0.147 0.000 0.215 538 L C 3.025 180.068 176.870 0.289 0.000 1.117 538 L CA 1.336 56.357 54.840 0.302 0.000 0.782 538 L CB -0.585 41.664 42.059 0.317 0.000 0.914 538 L HN 0.847 nan 8.230 nan 0.000 0.441 539 E N 0.098 120.423 120.200 0.209 0.000 2.150 539 E HA -0.252 4.010 4.350 -0.147 0.000 0.193 539 E C 1.600 178.116 176.600 -0.139 0.000 0.985 539 E CA 1.229 57.624 56.400 -0.008 0.000 0.814 539 E CB -0.596 29.073 29.700 -0.053 0.000 0.752 539 E HN 0.615 nan 8.360 nan 0.000 0.466 540 W N 1.235 122.661 121.300 0.210 0.000 3.077 540 W HA 0.121 4.694 4.660 -0.145 0.000 0.245 540 W C 1.658 178.219 176.519 0.070 0.000 1.316 540 W CA 0.501 57.901 57.345 0.091 0.000 1.537 540 W CB 0.300 29.794 29.460 0.057 0.000 1.131 540 W HN -0.020 nan 8.180 nan 0.000 0.695 541 T N 0.433 115.132 114.554 0.241 0.000 3.022 541 T HA 0.208 4.470 4.350 -0.147 0.000 0.250 541 T C 0.761 175.523 174.700 0.105 0.000 1.060 541 T CA 0.267 62.471 62.100 0.172 0.000 1.013 541 T CB 0.087 69.069 68.868 0.190 0.000 0.982 541 T HN -0.194 nan 8.240 nan 0.000 0.508 542 L N 0.357 121.624 121.223 0.072 0.000 2.335 542 L HA 0.514 4.766 4.340 -0.147 0.000 0.268 542 L C 0.937 177.824 176.870 0.027 0.000 1.016 542 L CA -1.018 53.819 54.840 -0.004 0.000 0.805 542 L CB 0.742 42.744 42.059 -0.096 0.000 1.311 542 L HN -0.087 nan 8.230 nan 0.000 0.456 543 T N -0.713 113.840 114.554 -0.002 0.000 2.726 543 T HA 0.193 4.454 4.350 -0.147 0.000 0.294 543 T C -0.058 174.672 174.700 0.049 0.000 1.013 543 T CA -0.352 61.763 62.100 0.024 0.000 0.996 543 T CB 0.561 69.427 68.868 -0.005 0.000 1.016 543 T HN 0.549 nan 8.240 nan 0.000 0.529 544 S N 3.950 119.694 115.700 0.073 0.000 2.667 544 S HA 0.452 4.834 4.470 -0.147 0.000 0.304 544 S C -2.524 172.101 174.600 0.042 0.000 1.135 544 S CA -0.959 57.300 58.200 0.099 0.000 1.125 544 S CB 1.425 64.742 63.200 0.195 0.000 0.996 544 S HN 0.680 nan 8.310 nan 0.000 0.474 545 P HA 0.355 nan 4.420 nan 0.000 0.274 545 P C -2.897 174.393 177.300 -0.017 0.000 1.246 545 P CA -1.688 61.424 63.100 0.020 0.000 0.795 545 P CB -0.621 31.079 31.700 0.000 0.000 1.006 546 P HA 0.159 nan 4.420 nan 0.000 0.269 546 P C -2.118 175.096 177.300 -0.144 0.000 1.215 546 P CA -1.006 62.026 63.100 -0.113 0.000 0.780 546 P CB -1.234 30.361 31.700 -0.175 0.000 0.898 547 P HA 0.036 nan 4.420 nan 0.000 0.269 547 P C 1.028 178.210 177.300 -0.196 0.000 1.215 547 P CA 0.259 63.275 63.100 -0.140 0.000 0.780 547 P CB 0.232 31.866 31.700 -0.110 0.000 0.898 548 E N 1.880 121.950 120.200 -0.217 0.000 2.136 548 E HA -0.238 4.024 4.350 -0.147 0.000 0.202 548 E C 0.203 176.494 176.600 -0.515 0.000 1.019 548 E CA 1.773 57.950 56.400 -0.373 0.000 0.819 548 E CB -1.440 28.020 29.700 -0.399 0.000 0.739 548 E HN 0.793 nan 8.360 nan 0.000 0.458 549 H N -0.411 118.593 119.070 -0.110 0.000 2.595 549 H HA 0.499 4.967 4.556 -0.148 0.000 0.313 549 H C 0.012 175.259 175.328 -0.135 0.000 1.023 549 H CA 0.002 55.992 56.048 -0.096 0.000 1.218 549 H CB 1.797 31.521 29.762 -0.062 0.000 1.403 549 H HN 0.347 nan 8.280 nan 0.000 0.477 550 T N 0.395 114.901 114.554 -0.079 0.000 2.929 550 T HA 0.524 4.785 4.350 -0.147 0.000 0.284 550 T C -0.238 174.364 174.700 -0.162 0.000 1.014 550 T CA -0.774 61.145 62.100 -0.303 0.000 1.051 550 T CB 1.059 69.591 68.868 -0.560 0.000 1.028 550 T HN 0.411 nan 8.240 nan 0.000 0.485 551 F N 0.000 119.952 119.950 0.003 0.000 2.286 551 F HA 0.000 4.438 4.527 -0.148 0.000 0.279 551 F CA 0.000 57.994 58.000 -0.010 0.000 1.383 551 F CB 0.000 38.984 39.000 -0.027 0.000 1.145 551 F HN 0.000 nan 8.300 nan 0.000 0.574