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 2gsm_1_C 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 VPTGIKIFSW 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 PEHT 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 0.000 175.931 175.800 0.218 0.000 0.967 17 F CA 0.000 58.101 58.000 0.168 0.000 1.383 17 F CB 0.000 39.061 39.000 0.101 0.000 1.145 18 T N -2.645 111.857 114.554 -0.087 0.000 3.087 18 T HA 0.340 4.690 4.350 -0.001 0.000 0.283 18 T C 1.006 175.805 174.700 0.166 0.000 0.956 18 T CA -0.145 62.097 62.100 0.236 0.000 0.894 18 T CB -0.100 68.902 68.868 0.224 0.000 1.160 18 T HN 0.270 nan 8.240 nan 0.000 0.532 19 R N -0.358 120.129 120.500 -0.023 0.000 2.323 19 R HA 0.220 4.559 4.340 -0.001 0.000 0.198 19 R C 1.016 177.308 176.300 -0.013 0.000 0.988 19 R CA 0.206 56.294 56.100 -0.020 0.000 1.041 19 R CB -0.208 30.027 30.300 -0.108 0.000 0.926 19 R HN 0.461 nan 8.270 nan 0.000 0.476 20 W N -0.579 120.645 121.300 -0.126 0.000 2.476 20 W HA -0.006 4.653 4.660 -0.001 0.000 0.281 20 W C 1.052 177.376 176.519 -0.324 0.000 1.230 20 W CA 0.711 57.891 57.345 -0.275 0.000 1.287 20 W CB 0.070 29.260 29.460 -0.450 0.000 1.108 20 W HN -0.011 nan 8.180 nan 0.000 0.567 21 F N -0.986 119.105 119.950 0.235 0.000 2.512 21 F HA -0.111 4.415 4.527 -0.001 0.000 0.296 21 F C 2.111 178.054 175.800 0.237 0.000 1.110 21 F CA 0.861 58.974 58.000 0.187 0.000 1.446 21 F CB -0.456 38.790 39.000 0.411 0.000 1.092 21 F HN -0.197 nan 8.300 nan 0.000 0.554 22 M N -1.047 118.749 119.600 0.326 0.000 2.509 22 M HA 0.085 4.564 4.480 -0.001 0.000 0.250 22 M C 1.020 177.384 176.300 0.108 0.000 1.132 22 M CA 0.300 55.744 55.300 0.241 0.000 1.080 22 M CB -0.871 31.820 32.600 0.152 0.000 1.408 22 M HN -0.060 nan 8.290 nan 0.000 0.484 23 S N 1.833 117.539 115.700 0.010 0.000 2.552 23 S HA 0.039 4.508 4.470 -0.001 0.000 0.289 23 S C 1.265 175.838 174.600 -0.046 0.000 1.304 23 S CA 0.398 58.545 58.200 -0.088 0.000 1.063 23 S CB 0.416 63.475 63.200 -0.234 0.000 0.848 23 S HN 0.556 nan 8.310 nan 0.000 0.499 24 T N 1.576 116.098 114.554 -0.055 0.000 3.134 24 T HA 0.215 4.565 4.350 -0.001 0.000 0.260 24 T C 0.390 175.048 174.700 -0.069 0.000 1.027 24 T CA -0.531 61.557 62.100 -0.019 0.000 0.913 24 T CB -0.360 68.515 68.868 0.012 0.000 1.046 24 T HN 0.582 nan 8.240 nan 0.000 0.553 25 N N 1.746 120.352 118.700 -0.157 0.000 2.444 25 N HA 0.037 4.776 4.740 -0.001 0.000 0.271 25 N C 1.250 176.589 175.510 -0.285 0.000 1.069 25 N CA -0.043 52.858 53.050 -0.248 0.000 0.965 25 N CB 1.060 39.325 38.487 -0.369 0.000 1.092 25 N HN 0.588 nan 8.380 nan 0.000 0.476 26 H N 3.631 122.563 119.070 -0.231 0.000 2.394 26 H HA -0.122 4.433 4.556 -0.001 0.000 0.297 26 H C 1.194 176.310 175.328 -0.353 0.000 1.113 26 H CA 1.698 57.603 56.048 -0.238 0.000 1.277 26 H CB 0.136 29.749 29.762 -0.249 0.000 1.370 26 H HN 0.544 nan 8.280 nan 0.000 0.506 27 K N 0.081 119.759 120.400 -1.204 0.000 2.097 27 K HA -0.112 4.207 4.320 -0.001 0.000 0.205 27 K C 1.554 177.865 176.600 -0.482 0.000 1.050 27 K CA 1.399 56.974 56.287 -1.186 0.000 0.938 27 K CB 0.099 31.825 32.500 -1.290 0.000 0.718 27 K HN 0.479 nan 8.250 nan 0.000 0.442 28 D N 0.804 120.969 120.400 -0.392 0.000 2.137 28 D HA -0.063 4.576 4.640 -0.001 0.000 0.202 28 D C 2.003 178.288 176.300 -0.024 0.000 0.970 28 D CA 0.884 54.766 54.000 -0.197 0.000 0.837 28 D CB -0.068 40.480 40.800 -0.419 0.000 0.981 28 D HN 0.140 nan 8.370 nan 0.000 0.475 29 I N 1.608 122.125 120.570 -0.088 0.000 2.127 29 I HA -0.199 3.970 4.170 -0.001 0.000 0.241 29 I C 2.676 178.873 176.117 0.134 0.000 1.075 29 I CA 1.461 62.751 61.300 -0.016 0.000 1.334 29 I CB -0.595 37.445 38.000 0.067 0.000 1.040 29 I HN 0.011 nan 8.210 nan 0.000 0.405 30 G N 0.480 109.359 108.800 0.131 0.000 2.513 30 G HA2 -0.247 3.712 3.960 -0.001 0.000 0.219 30 G HA3 -0.247 3.712 3.960 -0.001 0.000 0.219 30 G C 1.678 176.683 174.900 0.175 0.000 1.160 30 G CA 1.259 46.470 45.100 0.184 0.000 0.767 30 G HN 0.285 nan 8.290 nan 0.000 0.571 31 V N 0.640 120.673 119.914 0.199 0.000 2.515 31 V HA -0.048 4.072 4.120 -0.001 0.000 0.250 31 V C 2.871 179.034 176.094 0.115 0.000 1.058 31 V CA 1.190 63.582 62.300 0.153 0.000 1.064 31 V CB -0.248 31.767 31.823 0.320 0.000 0.675 31 V HN 0.344 nan 8.190 nan 0.000 0.461 32 L N -1.624 119.619 121.223 0.033 0.000 2.027 32 L HA -0.180 4.160 4.340 -0.001 0.000 0.206 32 L C 2.470 179.403 176.870 0.106 0.000 1.074 32 L CA 1.912 56.648 54.840 -0.173 0.000 0.745 32 L CB -0.626 40.939 42.059 -0.823 0.000 0.898 32 L HN 0.272 nan 8.230 nan 0.000 0.433 33 Y N -0.083 120.314 120.300 0.161 0.000 2.114 33 Y HA -0.331 4.218 4.550 -0.001 0.000 0.282 33 Y C 2.541 178.533 175.900 0.152 0.000 1.165 33 Y CA 1.427 59.689 58.100 0.270 0.000 1.148 33 Y CB -0.199 38.331 38.460 0.117 0.000 0.972 33 Y HN 0.081 nan 8.280 nan 0.000 0.504 34 L N -1.857 119.457 121.223 0.151 0.000 2.017 34 L HA -0.264 4.075 4.340 -0.001 0.000 0.208 34 L C 2.136 179.016 176.870 0.015 0.000 1.073 34 L CA 1.266 56.068 54.840 -0.063 0.000 0.745 34 L CB -0.487 41.382 42.059 -0.317 0.000 0.894 34 L HN 0.192 nan 8.230 nan 0.000 0.432 35 F N -0.060 119.919 119.950 0.049 0.000 2.146 35 F HA -0.192 4.334 4.527 -0.001 0.000 0.298 35 F C 2.652 178.525 175.800 0.122 0.000 1.096 35 F CA 1.633 59.657 58.000 0.040 0.000 1.275 35 F CB -0.902 38.061 39.000 -0.062 0.000 1.008 35 F HN 0.019 nan 8.300 nan 0.000 0.480 36 T N -0.884 113.915 114.554 0.409 0.000 2.737 36 T HA -0.122 4.227 4.350 -0.001 0.000 0.265 36 T C 2.357 177.286 174.700 0.380 0.000 1.038 36 T CA 1.424 63.748 62.100 0.374 0.000 1.144 36 T CB -1.127 68.021 68.868 0.466 0.000 0.866 36 T HN 0.389 nan 8.240 nan 0.000 0.434 37 G N 0.998 110.053 108.800 0.425 0.000 2.469 37 G HA2 -0.112 3.848 3.960 -0.001 0.000 0.220 37 G HA3 -0.112 3.848 3.960 -0.001 0.000 0.220 37 G C 1.688 176.748 174.900 0.266 0.000 1.136 37 G CA 1.051 46.355 45.100 0.341 0.000 0.759 37 G HN 0.578 nan 8.290 nan 0.000 0.562 38 G N 0.662 109.622 108.800 0.268 0.000 2.402 38 G HA2 -0.075 3.884 3.960 -0.001 0.000 0.216 38 G HA3 -0.075 3.884 3.960 -0.001 0.000 0.216 38 G C 1.723 176.826 174.900 0.338 0.000 1.162 38 G CA 1.007 46.301 45.100 0.323 0.000 0.777 38 G HN 0.446 nan 8.290 nan 0.000 0.539 39 L N 0.901 122.291 121.223 0.279 0.000 2.005 39 L HA 0.003 4.342 4.340 -0.001 0.000 0.207 39 L C 2.873 179.858 176.870 0.192 0.000 1.072 39 L CA 1.589 56.562 54.840 0.223 0.000 0.744 39 L CB -0.590 41.572 42.059 0.172 0.000 0.895 39 L HN 0.060 nan 8.230 nan 0.000 0.433 40 V N 0.546 120.568 119.914 0.179 0.000 2.332 40 V HA -0.220 3.899 4.120 -0.001 0.000 0.248 40 V C 2.686 178.849 176.094 0.114 0.000 1.055 40 V CA 1.756 64.134 62.300 0.130 0.000 1.038 40 V CB -1.880 30.056 31.823 0.187 0.000 0.651 40 V HN 0.660 nan 8.190 nan 0.000 0.450 41 G N 0.169 109.070 108.800 0.169 0.000 2.440 41 G HA2 -0.293 3.666 3.960 -0.001 0.000 0.218 41 G HA3 -0.293 3.666 3.960 -0.001 0.000 0.218 41 G C 1.590 176.573 174.900 0.139 0.000 1.154 41 G CA 1.287 46.464 45.100 0.128 0.000 0.767 41 G HN 0.472 nan 8.290 nan 0.000 0.552 42 L N 0.684 122.098 121.223 0.318 0.000 2.083 42 L HA 0.059 4.398 4.340 -0.001 0.000 0.209 42 L C 2.636 179.641 176.870 0.226 0.000 1.083 42 L CA 1.361 56.456 54.840 0.425 0.000 0.752 42 L CB -0.346 41.989 42.059 0.459 0.000 0.899 42 L HN 0.304 nan 8.230 nan 0.000 0.433 43 I N -1.443 119.176 120.570 0.081 0.000 2.163 43 I HA -0.264 3.905 4.170 -0.001 0.000 0.240 43 I C 2.641 178.507 176.117 -0.420 0.000 1.081 43 I CA 1.422 62.660 61.300 -0.105 0.000 1.353 43 I CB -0.633 37.287 38.000 -0.134 0.000 1.054 43 I HN 0.283 nan 8.210 nan 0.000 0.407 44 S N 0.451 115.941 115.700 -0.351 0.000 2.383 44 S HA -0.151 4.319 4.470 -0.001 0.000 0.229 44 S C 2.066 176.627 174.600 -0.066 0.000 1.030 44 S CA 1.390 59.412 58.200 -0.297 0.000 1.002 44 S CB -0.214 62.973 63.200 -0.023 0.000 0.829 44 S HN 0.230 nan 8.310 nan 0.000 0.467 45 V N 1.775 121.682 119.914 -0.011 0.000 2.515 45 V HA -0.076 4.043 4.120 -0.001 0.000 0.250 45 V C 2.719 178.801 176.094 -0.019 0.000 1.058 45 V CA 1.514 63.822 62.300 0.014 0.000 1.064 45 V CB -1.195 30.647 31.823 0.032 0.000 0.675 45 V HN 0.586 nan 8.190 nan 0.000 0.461 46 A N -0.006 122.835 122.820 0.036 0.000 1.902 46 A HA -0.186 4.133 4.320 -0.001 0.000 0.217 46 A C 2.039 179.699 177.584 0.127 0.000 1.181 46 A CA 1.711 53.743 52.037 -0.008 0.000 0.623 46 A CB -0.656 18.442 19.000 0.163 0.000 0.818 46 A HN 0.434 nan 8.150 nan 0.000 0.443 47 F N 1.248 121.174 119.950 -0.040 0.000 2.091 47 F HA -0.205 4.321 4.527 -0.001 0.000 0.299 47 F C 3.033 178.739 175.800 -0.155 0.000 1.103 47 F CA 1.626 59.593 58.000 -0.055 0.000 1.228 47 F CB -1.665 37.315 39.000 -0.032 0.000 0.984 47 F HN 0.448 nan 8.300 nan 0.000 0.477 48 T N -2.001 112.507 114.554 -0.077 0.000 2.867 48 T HA -0.101 4.248 4.350 -0.001 0.000 0.268 48 T C 2.088 176.709 174.700 -0.131 0.000 1.057 48 T CA 1.357 63.321 62.100 -0.227 0.000 1.136 48 T CB -1.060 67.596 68.868 -0.353 0.000 0.874 48 T HN 0.069 nan 8.240 nan 0.000 0.466 49 V N 0.476 120.313 119.914 -0.129 0.000 2.287 49 V HA -0.139 3.980 4.120 -0.001 0.000 0.248 49 V C 2.346 178.463 176.094 0.038 0.000 1.053 49 V CA 1.920 64.174 62.300 -0.078 0.000 1.027 49 V CB -1.009 30.593 31.823 -0.368 0.000 0.646 49 V HN 0.521 nan 8.190 nan 0.000 0.447 50 Y N 0.162 120.374 120.300 -0.145 0.000 2.200 50 Y HA -0.211 4.339 4.550 -0.001 0.000 0.290 50 Y C 2.453 178.282 175.900 -0.119 0.000 1.137 50 Y CA 1.555 59.549 58.100 -0.176 0.000 1.163 50 Y CB -0.452 37.900 38.460 -0.178 0.000 0.988 50 Y HN 0.184 nan 8.280 nan 0.000 0.518 51 M N -0.484 119.031 119.600 -0.143 0.000 2.082 51 M HA -0.271 4.208 4.480 -0.001 0.000 0.258 51 M C 2.066 178.418 176.300 0.087 0.000 1.069 51 M CA 1.843 57.074 55.300 -0.116 0.000 1.102 51 M CB -0.266 32.188 32.600 -0.242 0.000 1.336 51 M HN 0.023 nan 8.290 nan 0.000 0.404 52 R N -0.429 120.062 120.500 -0.014 0.000 2.236 52 R HA 0.063 4.402 4.340 -0.001 0.000 0.208 52 R C 1.896 178.196 176.300 0.001 0.000 1.036 52 R CA 0.860 56.924 56.100 -0.059 0.000 1.001 52 R CB -0.333 29.803 30.300 -0.274 0.000 0.896 52 R HN 0.492 nan 8.270 nan 0.000 0.464 53 M N 0.133 119.735 119.600 0.004 0.000 2.099 53 M HA -0.140 4.340 4.480 -0.001 0.000 0.262 53 M C 2.052 178.246 176.300 -0.176 0.000 1.067 53 M CA 1.533 56.750 55.300 -0.138 0.000 1.124 53 M CB -0.129 32.082 32.600 -0.647 0.000 1.353 53 M HN -0.126 nan 8.290 nan 0.000 0.410 54 E N 0.760 120.839 120.200 -0.202 0.000 2.150 54 E HA -0.097 4.252 4.350 -0.001 0.000 0.193 54 E C 1.599 178.273 176.600 0.123 0.000 0.985 54 E CA 1.212 57.660 56.400 0.081 0.000 0.814 54 E CB -0.225 29.520 29.700 0.075 0.000 0.752 54 E HN 0.466 nan 8.360 nan 0.000 0.466 55 L N 0.019 121.325 121.223 0.138 0.000 2.591 55 L HA 0.139 4.478 4.340 -0.001 0.000 0.228 55 L C 2.250 179.272 176.870 0.254 0.000 1.133 55 L CA 0.036 55.001 54.840 0.207 0.000 0.880 55 L CB -0.249 41.892 42.059 0.136 0.000 1.033 55 L HN 0.257 nan 8.230 nan 0.000 0.450 56 M N 0.206 119.926 119.600 0.200 0.000 2.213 56 M HA -0.068 4.411 4.480 -0.001 0.000 0.263 56 M C 0.651 177.167 176.300 0.360 0.000 1.062 56 M CA 1.205 56.652 55.300 0.246 0.000 1.105 56 M CB 0.194 32.959 32.600 0.276 0.000 1.385 56 M HN 0.265 nan 8.290 nan 0.000 0.417 57 A N 0.423 123.418 122.820 0.292 0.000 2.520 57 A HA 0.697 5.016 4.320 -0.001 0.000 0.298 57 A C -2.703 174.863 177.584 -0.029 0.000 1.051 57 A CA -1.398 50.757 52.037 0.196 0.000 0.690 57 A CB 0.940 20.025 19.000 0.142 0.000 1.281 57 A HN 0.108 nan 8.150 nan 0.000 0.402 58 P HA 0.451 nan 4.420 nan 0.000 0.272 58 P C 0.500 177.629 177.300 -0.286 0.000 1.230 58 P CA 1.348 64.114 63.100 -0.556 0.000 0.788 58 P CB 0.793 32.287 31.700 -0.344 0.000 0.949 59 G N -0.178 108.446 108.800 -0.295 0.000 2.722 59 G HA2 -0.079 3.881 3.960 -0.001 0.000 0.686 59 G HA3 -0.079 3.881 3.960 -0.001 0.000 0.686 59 G C -0.978 173.829 174.900 -0.155 0.000 1.282 59 G CA -0.683 44.310 45.100 -0.179 0.000 0.817 59 G HN 0.448 nan 8.290 nan 0.000 0.605 60 V N 2.274 122.118 119.914 -0.117 0.000 2.407 60 V HA 0.526 4.645 4.120 -0.001 0.000 0.278 60 V C 0.783 176.835 176.094 -0.069 0.000 1.037 60 V CA 0.260 62.517 62.300 -0.072 0.000 0.900 60 V CB 1.470 33.254 31.823 -0.066 0.000 0.983 60 V HN 0.867 nan 8.190 nan 0.000 0.459 61 Q N 2.323 122.084 119.800 -0.065 0.000 2.210 61 Q HA 0.353 4.692 4.340 -0.001 0.000 0.252 61 Q C 0.730 176.507 176.000 -0.371 0.000 0.811 61 Q CA 0.356 56.004 55.803 -0.258 0.000 0.953 61 Q CB 0.573 29.053 28.738 -0.429 0.000 1.136 61 Q HN 0.785 nan 8.270 nan 0.000 0.491 62 F N -0.659 119.334 119.950 0.072 0.000 2.537 62 F HA 0.304 4.830 4.527 -0.001 0.000 0.277 62 F C 0.831 176.776 175.800 0.242 0.000 1.013 62 F CA 0.068 58.178 58.000 0.183 0.000 1.332 62 F CB 0.319 39.389 39.000 0.117 0.000 1.108 62 F HN -0.120 nan 8.300 nan 0.000 0.679 63 M N 1.871 121.657 119.600 0.310 0.000 3.436 63 M HA 0.155 4.634 4.480 -0.001 0.000 0.240 63 M C -1.121 175.242 176.300 0.104 0.000 1.469 63 M CA -0.088 55.358 55.300 0.243 0.000 1.622 63 M CB -0.633 32.084 32.600 0.195 0.000 1.098 63 M HN 0.100 nan 8.290 nan 0.000 0.568 64 c N 0.758 119.348 118.600 -0.016 0.000 2.330 64 c HA 0.470 5.039 4.570 -0.001 0.000 0.344 64 c C 1.884 175.856 174.090 -0.197 0.000 1.273 64 c CA -0.667 55.517 56.329 -0.241 0.000 1.879 64 c CB 0.793 42.932 42.510 -0.618 0.000 2.376 64 c HN 0.895 nan 8.230 nan 0.000 0.534 65 A N 1.860 124.622 122.820 -0.096 0.000 2.076 65 A HA -0.143 4.177 4.320 -0.001 0.000 0.220 65 A C 1.832 179.389 177.584 -0.044 0.000 1.160 65 A CA 1.620 53.637 52.037 -0.034 0.000 0.653 65 A CB -0.333 18.658 19.000 -0.015 0.000 0.801 65 A HN 0.928 nan 8.150 nan 0.000 0.455 66 E N -0.392 119.732 120.200 -0.126 0.000 2.204 66 E HA -0.145 4.204 4.350 -0.001 0.000 0.195 66 E C 1.461 178.089 176.600 0.047 0.000 0.990 66 E CA 1.097 57.458 56.400 -0.064 0.000 0.821 66 E CB -0.272 29.376 29.700 -0.086 0.000 0.750 66 E HN 0.723 nan 8.360 nan 0.000 0.477 67 H N -0.538 118.582 119.070 0.084 0.000 2.555 67 H HA 0.074 4.629 4.556 -0.001 0.000 0.269 67 H C 1.608 176.993 175.328 0.096 0.000 0.988 67 H CA 0.527 56.634 56.048 0.098 0.000 1.178 67 H CB -0.051 29.780 29.762 0.117 0.000 1.373 67 H HN 0.193 nan 8.280 nan 0.000 0.588 68 L N 0.058 121.381 121.223 0.167 0.000 2.341 68 L HA -0.024 4.316 4.340 -0.001 0.000 0.214 68 L C 2.144 179.076 176.870 0.103 0.000 1.115 68 L CA 0.546 55.462 54.840 0.128 0.000 0.820 68 L CB 0.057 42.172 42.059 0.093 0.000 0.944 68 L HN 0.127 nan 8.230 nan 0.000 0.452 69 E N 0.060 120.317 120.200 0.095 0.000 2.208 69 E HA -0.030 4.319 4.350 -0.001 0.000 0.193 69 E C 1.024 177.675 176.600 0.084 0.000 0.988 69 E CA 0.389 56.835 56.400 0.076 0.000 0.828 69 E CB 0.124 29.862 29.700 0.063 0.000 0.763 69 E HN 0.430 nan 8.360 nan 0.000 0.478 70 S N 0.286 116.052 115.700 0.109 0.000 2.633 70 S HA 0.339 4.809 4.470 -0.001 0.000 0.257 70 S C 0.750 175.412 174.600 0.105 0.000 1.265 70 S CA -0.386 57.878 58.200 0.107 0.000 0.980 70 S CB 0.598 63.875 63.200 0.128 0.000 1.017 70 S HN 0.239 nan 8.310 nan 0.000 0.577 71 G N -0.775 108.086 108.800 0.101 0.000 2.653 71 G HA2 0.354 4.313 3.960 -0.001 0.000 0.265 71 G HA3 0.354 4.313 3.960 -0.001 0.000 0.265 71 G C 0.557 175.532 174.900 0.124 0.000 1.237 71 G CA -0.499 44.660 45.100 0.098 0.000 0.946 71 G HN 0.521 nan 8.290 nan 0.000 0.522 72 L N 0.060 121.350 121.223 0.112 0.000 2.131 72 L HA 0.053 4.392 4.340 -0.001 0.000 0.206 72 L C 2.675 179.632 176.870 0.146 0.000 1.087 72 L CA 1.370 56.289 54.840 0.132 0.000 0.767 72 L CB -0.190 41.927 42.059 0.097 0.000 0.917 72 L HN 0.283 nan 8.230 nan 0.000 0.441 73 V N -0.273 119.715 119.914 0.125 0.000 2.273 73 V HA -0.209 3.910 4.120 -0.001 0.000 0.242 73 V C 2.576 178.889 176.094 0.366 0.000 1.035 73 V CA 1.857 64.268 62.300 0.185 0.000 1.013 73 V CB -0.690 31.228 31.823 0.159 0.000 0.652 73 V HN 0.418 nan 8.190 nan 0.000 0.452 74 K N 0.356 120.919 120.400 0.272 0.000 2.063 74 K HA -0.185 4.134 4.320 -0.001 0.000 0.208 74 K C 2.150 178.893 176.600 0.239 0.000 1.048 74 K CA 1.803 58.248 56.287 0.263 0.000 0.928 74 K CB -0.689 31.900 32.500 0.147 0.000 0.713 74 K HN 0.511 nan 8.250 nan 0.000 0.442 75 G N 0.732 109.646 108.800 0.191 0.000 2.418 75 G HA2 -0.290 3.670 3.960 -0.001 0.000 0.217 75 G HA3 -0.290 3.670 3.960 -0.001 0.000 0.217 75 G C 1.352 176.307 174.900 0.091 0.000 1.158 75 G CA 0.705 45.894 45.100 0.147 0.000 0.771 75 G HN 0.405 nan 8.290 nan 0.000 0.545 76 F N 1.042 120.972 119.950 -0.034 0.000 2.043 76 F HA -0.135 4.392 4.527 -0.001 0.000 0.297 76 F C 2.244 177.876 175.800 -0.279 0.000 1.118 76 F CA 1.859 59.734 58.000 -0.209 0.000 1.202 76 F CB -0.287 38.503 39.000 -0.349 0.000 0.965 76 F HN 0.130 nan 8.300 nan 0.000 0.482 77 F N 0.259 120.282 119.950 0.121 0.000 2.325 77 F HA -0.072 4.454 4.527 -0.001 0.000 0.299 77 F C 2.561 178.319 175.800 -0.069 0.000 1.090 77 F CA 1.212 59.222 58.000 0.017 0.000 1.392 77 F CB -1.018 38.068 39.000 0.142 0.000 1.053 77 F HN 0.046 nan 8.300 nan 0.000 0.521 78 Q N 0.279 120.095 119.800 0.028 0.000 2.135 78 Q HA -0.184 4.155 4.340 -0.001 0.000 0.204 78 Q C 2.195 177.926 176.000 -0.448 0.000 0.981 78 Q CA 2.017 57.701 55.803 -0.199 0.000 0.856 78 Q CB -0.118 28.435 28.738 -0.308 0.000 0.902 78 Q HN 0.429 nan 8.270 nan 0.000 0.425 79 S N -0.499 114.928 115.700 -0.455 0.000 2.561 79 S HA 0.010 4.480 4.470 -0.001 0.000 0.225 79 S C 1.511 176.236 174.600 0.208 0.000 0.977 79 S CA 0.350 58.471 58.200 -0.131 0.000 0.926 79 S CB 0.016 63.244 63.200 0.046 0.000 0.769 79 S HN 0.313 nan 8.310 nan 0.000 0.533 80 L N -0.301 120.968 121.223 0.075 0.000 2.567 80 L HA 0.313 4.652 4.340 -0.001 0.000 0.225 80 L C 0.750 177.921 176.870 0.502 0.000 1.119 80 L CA -0.056 54.907 54.840 0.204 0.000 0.871 80 L CB 0.065 42.115 42.059 -0.015 0.000 1.036 80 L HN 0.475 nan 8.230 nan 0.000 0.459 81 W N 2.908 124.358 121.300 0.250 0.000 2.529 81 W HA 0.325 4.984 4.660 -0.001 0.000 0.321 81 W C -2.390 174.141 176.519 0.020 0.000 1.047 81 W CA -1.950 55.505 57.345 0.184 0.000 1.216 81 W CB 2.084 31.596 29.460 0.087 0.000 1.357 81 W HN -0.243 nan 8.180 nan 0.000 0.489 82 P HA 0.079 nan 4.420 nan 0.000 0.271 82 P C -0.630 176.543 177.300 -0.210 0.000 1.216 82 P CA 0.258 62.935 63.100 -0.706 0.000 0.771 82 P CB 1.369 32.623 31.700 -0.742 0.000 0.864 83 S N 1.002 116.593 115.700 -0.182 0.000 2.681 83 S HA 0.658 5.128 4.470 -0.001 0.000 0.299 83 S C 0.118 174.663 174.600 -0.093 0.000 1.113 83 S CA -0.667 57.507 58.200 -0.043 0.000 1.013 83 S CB 1.467 64.676 63.200 0.016 0.000 1.076 83 S HN 0.637 nan 8.310 nan 0.000 0.534 84 A N 1.003 123.798 122.820 -0.043 0.000 2.425 84 A HA 0.371 4.691 4.320 -0.001 0.000 0.242 84 A C 1.348 178.898 177.584 -0.057 0.000 1.077 84 A CA -0.507 51.500 52.037 -0.049 0.000 0.781 84 A CB -0.157 18.829 19.000 -0.023 0.000 1.020 84 A HN 0.680 nan 8.150 nan 0.000 0.494 85 V N 1.835 121.712 119.914 -0.062 0.000 2.282 85 V HA -0.257 3.863 4.120 -0.001 0.000 0.249 85 V C 2.538 178.604 176.094 -0.048 0.000 1.057 85 V CA 2.470 64.733 62.300 -0.062 0.000 1.032 85 V CB -0.973 30.813 31.823 -0.061 0.000 0.645 85 V HN 1.005 nan 8.190 nan 0.000 0.447 86 E N 0.371 120.549 120.200 -0.037 0.000 2.267 86 E HA -0.204 4.145 4.350 -0.001 0.000 0.197 86 E C 1.114 177.699 176.600 -0.024 0.000 0.998 86 E CA 1.128 57.511 56.400 -0.028 0.000 0.830 86 E CB -0.605 29.083 29.700 -0.020 0.000 0.751 86 E HN 0.629 nan 8.360 nan 0.000 0.491 87 N N -0.178 118.507 118.700 -0.025 0.000 2.214 87 N HA 0.061 4.801 4.740 -0.001 0.000 0.214 87 N C -0.773 174.714 175.510 -0.039 0.000 1.132 87 N CA -0.050 52.988 53.050 -0.020 0.000 0.856 87 N CB 0.576 39.063 38.487 0.000 0.000 1.020 87 N HN 0.075 nan 8.380 nan 0.000 0.509 88 c N 1.469 120.036 118.600 -0.055 0.000 2.356 88 c HA 0.377 4.946 4.570 -0.001 0.000 0.324 88 c C 0.073 174.120 174.090 -0.072 0.000 1.167 88 c CA -0.335 55.944 56.329 -0.082 0.000 1.420 88 c CB -0.797 41.661 42.510 -0.085 0.000 2.036 88 c HN 0.161 nan 8.230 nan 0.000 0.435 89 T N 8.685 123.195 114.554 -0.074 0.000 2.752 89 T HA 0.243 4.593 4.350 -0.001 0.000 0.295 89 T C -2.452 172.219 174.700 -0.048 0.000 0.923 89 T CA -0.211 61.858 62.100 -0.052 0.000 1.112 89 T CB 0.622 69.465 68.868 -0.041 0.000 0.884 89 T HN 0.554 nan 8.240 nan 0.000 0.525 90 P HA 0.093 nan 4.420 nan 0.000 0.263 90 P C -0.228 177.071 177.300 -0.002 0.000 1.195 90 P CA -0.184 62.898 63.100 -0.029 0.000 0.762 90 P CB 0.309 31.980 31.700 -0.048 0.000 0.799 91 N N 2.446 121.164 118.700 0.030 0.000 2.816 91 N HA 0.202 4.941 4.740 -0.001 0.000 0.236 91 N C 1.475 177.053 175.510 0.112 0.000 1.076 91 N CA -0.275 52.819 53.050 0.072 0.000 0.902 91 N CB -0.084 38.459 38.487 0.093 0.000 1.149 91 N HN 0.362 nan 8.380 nan 0.000 0.506 92 G N 0.883 109.738 108.800 0.092 0.000 2.450 92 G HA2 -0.312 3.647 3.960 -0.001 0.000 0.220 92 G HA3 -0.312 3.647 3.960 -0.001 0.000 0.220 92 G C 1.273 176.284 174.900 0.185 0.000 1.130 92 G CA 0.954 46.124 45.100 0.117 0.000 0.760 92 G HN 0.726 nan 8.290 nan 0.000 0.557 93 H N -0.187 118.935 119.070 0.086 0.000 2.387 93 H HA -0.010 4.545 4.556 -0.001 0.000 0.299 93 H C 2.267 177.643 175.328 0.081 0.000 1.099 93 H CA 1.419 57.511 56.048 0.074 0.000 1.315 93 H CB -0.109 29.678 29.762 0.041 0.000 1.380 93 H HN 0.257 nan 8.280 nan 0.000 0.513 94 L N -0.190 121.073 121.223 0.067 0.000 2.093 94 L HA -0.112 4.228 4.340 -0.001 0.000 0.208 94 L C 2.342 179.203 176.870 -0.016 0.000 1.085 94 L CA 1.654 56.499 54.840 0.009 0.000 0.755 94 L CB -1.048 41.083 42.059 0.121 0.000 0.904 94 L HN 0.524 nan 8.230 nan 0.000 0.435 95 W N 0.751 122.013 121.300 -0.063 0.000 2.333 95 W HA -0.306 4.353 4.660 -0.001 0.000 0.316 95 W C 2.104 178.590 176.519 -0.055 0.000 1.215 95 W CA 2.015 59.331 57.345 -0.049 0.000 1.278 95 W CB -0.391 29.062 29.460 -0.011 0.000 1.154 95 W HN 0.341 nan 8.180 nan 0.000 0.486 96 N N 0.530 119.263 118.700 0.055 0.000 2.149 96 N HA -0.173 4.566 4.740 -0.001 0.000 0.188 96 N C 1.692 177.085 175.510 -0.195 0.000 1.019 96 N CA 2.002 55.028 53.050 -0.039 0.000 0.857 96 N CB -1.049 37.451 38.487 0.022 0.000 0.997 96 N HN 0.092 nan 8.380 nan 0.000 0.426 97 V N 1.468 121.192 119.914 -0.317 0.000 2.307 97 V HA -0.158 3.961 4.120 -0.001 0.000 0.245 97 V C 2.382 178.315 176.094 -0.267 0.000 1.045 97 V CA 1.190 63.309 62.300 -0.301 0.000 1.024 97 V CB -0.375 31.226 31.823 -0.371 0.000 0.651 97 V HN 0.212 nan 8.190 nan 0.000 0.449 98 M N -0.869 118.518 119.600 -0.355 0.000 2.108 98 M HA -0.182 4.297 4.480 -0.001 0.000 0.261 98 M C 2.221 178.370 176.300 -0.252 0.000 1.066 98 M CA 1.967 57.010 55.300 -0.428 0.000 1.107 98 M CB -1.215 31.096 32.600 -0.483 0.000 1.356 98 M HN 0.275 nan 8.290 nan 0.000 0.406 99 I N 0.341 120.695 120.570 -0.360 0.000 2.179 99 I HA -0.224 3.945 4.170 -0.001 0.000 0.242 99 I C 2.376 178.517 176.117 0.039 0.000 1.088 99 I CA 1.575 62.765 61.300 -0.183 0.000 1.357 99 I CB -0.613 37.212 38.000 -0.291 0.000 1.051 99 I HN 0.293 nan 8.210 nan 0.000 0.409 100 T N -0.309 114.255 114.554 0.017 0.000 2.777 100 T HA -0.075 4.274 4.350 -0.001 0.000 0.266 100 T C 1.920 176.711 174.700 0.151 0.000 1.040 100 T CA 1.283 63.441 62.100 0.097 0.000 1.141 100 T CB -0.865 68.030 68.868 0.046 0.000 0.868 100 T HN 0.519 nan 8.240 nan 0.000 0.444 101 G N 0.873 109.762 108.800 0.149 0.000 2.446 101 G HA2 -0.320 3.640 3.960 -0.001 0.000 0.217 101 G HA3 -0.320 3.640 3.960 -0.001 0.000 0.217 101 G C 1.328 176.449 174.900 0.368 0.000 1.168 101 G CA 1.415 46.691 45.100 0.294 0.000 0.771 101 G HN 0.611 nan 8.290 nan 0.000 0.551 102 H N 0.831 120.082 119.070 0.301 0.000 2.321 102 H HA 0.004 4.560 4.556 -0.001 0.000 0.300 102 H C 2.642 178.003 175.328 0.055 0.000 1.087 102 H CA 2.224 58.389 56.048 0.194 0.000 1.319 102 H CB -0.759 29.109 29.762 0.177 0.000 1.379 102 H HN 0.203 nan 8.280 nan 0.000 0.501 103 G N 1.130 109.799 108.800 -0.218 0.000 2.404 103 G HA2 -0.164 3.795 3.960 -0.001 0.000 0.215 103 G HA3 -0.164 3.795 3.960 -0.001 0.000 0.215 103 G C 1.720 176.480 174.900 -0.233 0.000 1.174 103 G CA 0.907 45.758 45.100 -0.416 0.000 0.780 103 G HN 0.416 nan 8.290 nan 0.000 0.537 104 I N 0.699 121.342 120.570 0.122 0.000 2.226 104 I HA -0.100 4.070 4.170 -0.001 0.000 0.245 104 I C 2.824 179.149 176.117 0.347 0.000 1.100 104 I CA 0.915 62.425 61.300 0.351 0.000 1.374 104 I CB -0.826 37.415 38.000 0.402 0.000 1.057 104 I HN 0.173 nan 8.210 nan 0.000 0.413 105 L N -0.424 120.960 121.223 0.268 0.000 2.017 105 L HA -0.238 4.102 4.340 -0.001 0.000 0.208 105 L C 2.771 179.717 176.870 0.127 0.000 1.073 105 L CA 1.147 56.174 54.840 0.311 0.000 0.745 105 L CB -0.460 41.685 42.059 0.143 0.000 0.894 105 L HN 0.212 nan 8.230 nan 0.000 0.432 106 M N -0.982 118.555 119.600 -0.106 0.000 2.067 106 M HA -0.188 4.292 4.480 -0.001 0.000 0.260 106 M C 2.265 178.378 176.300 -0.313 0.000 1.069 106 M CA 1.851 57.014 55.300 -0.228 0.000 1.117 106 M CB -0.809 31.544 32.600 -0.412 0.000 1.334 106 M HN 0.220 nan 8.290 nan 0.000 0.407 107 M N -1.786 117.516 119.600 -0.496 0.000 2.419 107 M HA -0.031 4.448 4.480 -0.001 0.000 0.264 107 M C 1.548 177.374 176.300 -0.791 0.000 1.082 107 M CA 1.231 56.077 55.300 -0.757 0.000 1.119 107 M CB -0.909 30.959 32.600 -1.220 0.000 1.398 107 M HN 0.123 nan 8.290 nan 0.000 0.453 108 F N -2.316 117.434 119.950 -0.333 0.000 2.740 108 F HA 0.172 4.699 4.527 -0.001 0.000 0.304 108 F C 1.073 176.460 175.800 -0.688 0.000 1.098 108 F CA 0.121 57.750 58.000 -0.617 0.000 1.258 108 F CB 0.201 38.584 39.000 -1.028 0.000 1.061 108 F HN -0.101 nan 8.300 nan 0.000 0.598 109 F N -1.984 118.122 119.950 0.259 0.000 2.781 109 F HA 0.325 4.851 4.527 -0.001 0.000 0.322 109 F C 1.044 177.015 175.800 0.285 0.000 1.108 109 F CA -0.161 58.064 58.000 0.375 0.000 1.179 109 F CB -0.117 39.092 39.000 0.348 0.000 1.072 109 F HN -0.288 nan 8.300 nan 0.000 0.545 110 V N -1.850 118.188 119.914 0.208 0.000 3.264 110 V HA 0.080 4.199 4.120 -0.001 0.000 0.217 110 V C 1.692 177.807 176.094 0.035 0.000 1.236 110 V CA 0.561 62.945 62.300 0.139 0.000 1.287 110 V CB 0.166 32.030 31.823 0.069 0.000 1.241 110 V HN -0.046 nan 8.190 nan 0.000 0.518 111 V N 0.433 120.316 119.914 -0.051 0.000 2.323 111 V HA -0.126 3.994 4.120 -0.001 0.000 0.244 111 V C 2.134 178.189 176.094 -0.065 0.000 1.041 111 V CA 2.253 64.505 62.300 -0.081 0.000 1.025 111 V CB -0.067 31.668 31.823 -0.146 0.000 0.656 111 V HN 0.427 nan 8.190 nan 0.000 0.451 112 I N 0.163 120.671 120.570 -0.103 0.000 2.286 112 I HA -0.104 4.066 4.170 -0.001 0.000 0.245 112 I C -0.285 175.799 176.117 -0.055 0.000 1.104 112 I CA 1.237 62.486 61.300 -0.085 0.000 1.397 112 I CB -1.722 36.182 38.000 -0.159 0.000 1.072 112 I HN 0.353 nan 8.210 nan 0.000 0.417 113 P HA -0.183 nan 4.420 nan 0.000 0.216 113 P C 1.507 178.757 177.300 -0.084 0.000 1.150 113 P CA 1.869 64.846 63.100 -0.205 0.000 0.843 113 P CB 0.012 31.463 31.700 -0.415 0.000 0.787 114 A N -0.957 121.853 122.820 -0.017 0.000 1.855 114 A HA -0.127 4.193 4.320 -0.001 0.000 0.215 114 A C 2.222 179.798 177.584 -0.013 0.000 1.191 114 A CA 1.402 53.421 52.037 -0.030 0.000 0.613 114 A CB -1.538 17.453 19.000 -0.015 0.000 0.829 114 A HN 0.096 nan 8.150 nan 0.000 0.442 115 L N -2.630 118.661 121.223 0.112 0.000 2.044 115 L HA -0.038 4.301 4.340 -0.001 0.000 0.205 115 L C 2.448 179.516 176.870 0.330 0.000 1.075 115 L CA 1.444 56.467 54.840 0.304 0.000 0.747 115 L CB -0.399 41.818 42.059 0.264 0.000 0.903 115 L HN 0.490 nan 8.230 nan 0.000 0.435 116 F N 0.184 120.142 119.950 0.013 0.000 2.164 116 F HA 0.086 4.612 4.527 -0.001 0.000 0.287 116 F C 2.258 177.954 175.800 -0.174 0.000 1.086 116 F CA 1.337 59.308 58.000 -0.049 0.000 1.249 116 F CB -0.663 38.273 39.000 -0.106 0.000 1.059 116 F HN -0.064 nan 8.300 nan 0.000 0.490 117 G N -0.504 108.108 108.800 -0.313 0.000 2.422 117 G HA2 -0.062 3.897 3.960 -0.001 0.000 0.218 117 G HA3 -0.062 3.897 3.960 -0.001 0.000 0.218 117 G C 1.662 176.255 174.900 -0.511 0.000 1.140 117 G CA 0.755 45.262 45.100 -0.988 0.000 0.775 117 G HN 0.631 nan 8.290 nan 0.000 0.545 118 G N 0.442 109.119 108.800 -0.205 0.000 2.648 118 G HA2 0.145 4.104 3.960 -0.001 0.000 0.217 118 G HA3 0.145 4.104 3.960 -0.001 0.000 0.217 118 G C 1.366 176.242 174.900 -0.040 0.000 1.386 118 G CA 0.366 45.402 45.100 -0.107 0.000 0.920 118 G HN 0.168 nan 8.290 nan 0.000 0.540 119 F N 2.047 122.113 119.950 0.193 0.000 2.216 119 F HA 0.054 4.580 4.527 -0.001 0.000 0.300 119 F C 2.865 178.902 175.800 0.396 0.000 1.085 119 F CA 0.809 58.976 58.000 0.278 0.000 1.326 119 F CB -0.800 38.385 39.000 0.308 0.000 1.027 119 F HN 0.223 nan 8.300 nan 0.000 0.497 120 G N -0.438 108.641 108.800 0.465 0.000 2.402 120 G HA2 -0.229 3.730 3.960 -0.001 0.000 0.216 120 G HA3 -0.229 3.730 3.960 -0.001 0.000 0.216 120 G C 1.745 176.642 174.900 -0.005 0.000 1.162 120 G CA 0.681 45.894 45.100 0.188 0.000 0.777 120 G HN 0.230 nan 8.290 nan 0.000 0.539 121 N N -0.598 118.058 118.700 -0.073 0.000 2.188 121 N HA -0.073 4.667 4.740 -0.001 0.000 0.184 121 N C 1.797 177.321 175.510 0.024 0.000 1.018 121 N CA 0.672 53.686 53.050 -0.060 0.000 0.858 121 N CB -0.295 38.176 38.487 -0.028 0.000 0.989 121 N HN 0.381 nan 8.380 nan 0.000 0.426 122 Y N -0.187 120.058 120.300 -0.091 0.000 2.163 122 Y HA -0.073 4.476 4.550 -0.001 0.000 0.288 122 Y C 1.552 177.140 175.900 -0.520 0.000 1.136 122 Y CA 1.550 59.462 58.100 -0.313 0.000 1.147 122 Y CB -0.259 37.863 38.460 -0.564 0.000 0.987 122 Y HN -0.071 nan 8.280 nan 0.000 0.509 123 F N -2.229 117.738 119.950 0.028 0.000 2.678 123 F HA 0.004 4.530 4.527 -0.001 0.000 0.291 123 F C 2.261 177.869 175.800 -0.321 0.000 1.123 123 F CA 0.278 58.079 58.000 -0.332 0.000 1.395 123 F CB -0.371 38.096 39.000 -0.888 0.000 1.121 123 F HN -0.009 nan 8.300 nan 0.000 0.592 124 M N 1.528 121.201 119.600 0.123 0.000 2.080 124 M HA -0.099 4.380 4.480 -0.001 0.000 0.260 124 M C -1.045 175.247 176.300 -0.013 0.000 1.068 124 M CA 2.239 57.609 55.300 0.116 0.000 1.109 124 M CB -1.591 31.043 32.600 0.056 0.000 1.342 124 M HN -0.077 nan 8.290 nan 0.000 0.405 125 P HA -0.062 nan 4.420 nan 0.000 0.217 125 P C 1.849 179.025 177.300 -0.206 0.000 1.151 125 P CA 1.052 63.965 63.100 -0.312 0.000 0.828 125 P CB -0.208 31.048 31.700 -0.741 0.000 0.788 126 L N -1.321 119.795 121.223 -0.177 0.000 2.046 126 L HA -0.209 4.130 4.340 -0.001 0.000 0.208 126 L C 2.501 179.447 176.870 0.128 0.000 1.077 126 L CA 1.766 56.582 54.840 -0.039 0.000 0.747 126 L CB -1.200 40.837 42.059 -0.037 0.000 0.896 126 L HN 0.166 nan 8.230 nan 0.000 0.432 127 H N -0.167 119.002 119.070 0.166 0.000 2.457 127 H HA -0.096 4.460 4.556 -0.001 0.000 0.294 127 H C 2.092 177.489 175.328 0.115 0.000 1.064 127 H CA 1.280 57.466 56.048 0.229 0.000 1.330 127 H CB 0.145 30.141 29.762 0.389 0.000 1.395 127 H HN 0.469 nan 8.280 nan 0.000 0.541 128 I N -3.602 117.048 120.570 0.134 0.000 3.956 128 I HA 0.381 4.550 4.170 -0.001 0.000 0.333 128 I C 1.185 177.269 176.117 -0.054 0.000 1.302 128 I CA 0.410 61.694 61.300 -0.028 0.000 1.122 128 I CB 0.774 38.668 38.000 -0.177 0.000 1.013 128 I HN 0.122 nan 8.210 nan 0.000 0.405 129 G N 1.836 110.625 108.800 -0.018 0.000 2.212 129 G HA2 -0.110 3.850 3.960 -0.001 0.000 0.255 129 G HA3 -0.110 3.850 3.960 -0.001 0.000 0.255 129 G C 0.133 174.987 174.900 -0.076 0.000 1.062 129 G CA 0.032 45.113 45.100 -0.033 0.000 0.815 129 G HN 0.946 nan 8.290 nan 0.000 0.497 130 A N -0.208 122.542 122.820 -0.117 0.000 2.305 130 A HA 0.874 5.193 4.320 -0.001 0.000 0.322 130 A C -0.431 177.059 177.584 -0.157 0.000 1.187 130 A CA -1.077 50.872 52.037 -0.147 0.000 0.825 130 A CB 1.265 20.153 19.000 -0.187 0.000 1.164 130 A HN 0.065 nan 8.150 nan 0.000 0.498 131 P HA -0.033 nan 4.420 nan 0.000 0.216 131 P C 0.117 177.357 177.300 -0.099 0.000 1.153 131 P CA 1.318 64.367 63.100 -0.085 0.000 0.848 131 P CB 0.359 32.019 31.700 -0.067 0.000 0.787 132 D N -3.656 116.653 120.400 -0.153 0.000 2.759 132 D HA 0.235 4.874 4.640 -0.001 0.000 0.321 132 D C -0.553 175.620 176.300 -0.213 0.000 1.267 132 D CA -0.530 53.383 54.000 -0.145 0.000 0.933 132 D CB 0.915 41.677 40.800 -0.064 0.000 1.431 132 D HN -0.325 nan 8.370 nan 0.000 0.504 133 M N 1.114 120.617 119.600 -0.163 0.000 2.240 133 M HA 0.259 4.739 4.480 -0.001 0.000 0.333 133 M C 1.283 177.470 176.300 -0.188 0.000 1.110 133 M CA -0.067 55.144 55.300 -0.148 0.000 1.173 133 M CB 0.555 33.117 32.600 -0.064 0.000 1.458 133 M HN 0.592 nan 8.290 nan 0.000 0.458 134 A N 2.595 125.230 122.820 -0.309 0.000 1.986 134 A HA -0.104 4.215 4.320 -0.001 0.000 0.220 134 A C 0.505 177.649 177.584 -0.735 0.000 1.171 134 A CA 1.639 53.302 52.037 -0.623 0.000 0.640 134 A CB -0.384 18.043 19.000 -0.955 0.000 0.811 134 A HN 0.629 nan 8.150 nan 0.000 0.451 135 F N -1.637 118.314 119.950 0.003 0.000 2.550 135 F HA 0.372 4.898 4.527 -0.001 0.000 0.348 135 F C -2.097 173.717 175.800 0.023 0.000 1.219 135 F CA -2.442 55.567 58.000 0.015 0.000 1.203 135 F CB 1.059 40.074 39.000 0.024 0.000 1.436 135 F HN -0.029 nan 8.300 nan 0.000 0.541 136 P HA -0.224 nan 4.420 nan 0.000 0.215 136 P C 1.569 178.938 177.300 0.115 0.000 1.157 136 P CA 2.055 65.205 63.100 0.083 0.000 0.874 136 P CB 0.126 31.843 31.700 0.028 0.000 0.790 137 R N -0.541 120.035 120.500 0.127 0.000 2.081 137 R HA -0.081 4.258 4.340 -0.001 0.000 0.235 137 R C 2.362 178.750 176.300 0.148 0.000 1.131 137 R CA 1.566 57.741 56.100 0.125 0.000 0.960 137 R CB -1.558 28.804 30.300 0.103 0.000 0.856 137 R HN 0.182 nan 8.270 nan 0.000 0.436 138 M N 1.424 121.120 119.600 0.160 0.000 2.108 138 M HA -0.166 4.314 4.480 -0.001 0.000 0.261 138 M C 1.700 178.111 176.300 0.185 0.000 1.066 138 M CA 1.910 57.300 55.300 0.151 0.000 1.107 138 M CB -0.210 32.471 32.600 0.134 0.000 1.356 138 M HN 0.191 nan 8.290 nan 0.000 0.406 139 N N 0.804 119.619 118.700 0.192 0.000 2.188 139 N HA -0.186 4.553 4.740 -0.001 0.000 0.184 139 N C 1.338 176.984 175.510 0.227 0.000 1.018 139 N CA 1.738 54.908 53.050 0.201 0.000 0.858 139 N CB -0.461 38.119 38.487 0.154 0.000 0.989 139 N HN 0.548 nan 8.380 nan 0.000 0.426 140 N N -0.363 118.458 118.700 0.202 0.000 2.188 140 N HA -0.107 4.633 4.740 -0.001 0.000 0.184 140 N C 1.617 177.324 175.510 0.327 0.000 1.018 140 N CA 0.706 53.895 53.050 0.232 0.000 0.858 140 N CB -0.265 38.357 38.487 0.226 0.000 0.989 140 N HN 0.186 nan 8.380 nan 0.000 0.426 141 L N 0.293 121.696 121.223 0.300 0.000 2.056 141 L HA 0.024 4.363 4.340 -0.001 0.000 0.207 141 L C 2.120 179.172 176.870 0.303 0.000 1.078 141 L CA 1.508 56.535 54.840 0.312 0.000 0.749 141 L CB -1.155 41.031 42.059 0.211 0.000 0.901 141 L HN 0.100 nan 8.230 nan 0.000 0.433 142 S N -1.096 114.777 115.700 0.289 0.000 2.378 142 S HA -0.338 4.131 4.470 -0.001 0.000 0.229 142 S C 1.888 176.702 174.600 0.357 0.000 1.052 142 S CA 2.142 60.546 58.200 0.340 0.000 1.084 142 S CB -0.802 62.635 63.200 0.394 0.000 0.950 142 S HN 0.695 nan 8.310 nan 0.000 0.440 143 Y N 0.165 120.543 120.300 0.130 0.000 2.181 143 Y HA -0.169 4.380 4.550 -0.001 0.000 0.288 143 Y C 1.885 177.699 175.900 -0.143 0.000 1.146 143 Y CA 1.397 59.368 58.100 -0.215 0.000 1.164 143 Y CB -0.485 37.680 38.460 -0.491 0.000 0.982 143 Y HN 0.332 nan 8.280 nan 0.000 0.515 144 W N -0.060 121.273 121.300 0.054 0.000 2.436 144 W HA -0.098 4.562 4.660 -0.001 0.000 0.284 144 W C 2.174 178.661 176.519 -0.054 0.000 1.225 144 W CA 0.790 58.105 57.345 -0.050 0.000 1.271 144 W CB -0.275 29.218 29.460 0.055 0.000 1.114 144 W HN 0.034 nan 8.180 nan 0.000 0.559 145 L N -0.789 120.583 121.223 0.250 0.000 2.017 145 L HA -0.288 4.051 4.340 -0.001 0.000 0.208 145 L C 2.438 179.441 176.870 0.221 0.000 1.073 145 L CA 1.433 56.402 54.840 0.215 0.000 0.745 145 L CB -1.213 40.981 42.059 0.226 0.000 0.894 145 L HN 0.076 nan 8.230 nan 0.000 0.432 146 Y N 0.417 120.761 120.300 0.074 0.000 2.128 146 Y HA -0.256 4.293 4.550 -0.001 0.000 0.284 146 Y C 2.379 178.259 175.900 -0.033 0.000 1.154 146 Y CA 1.602 59.759 58.100 0.094 0.000 1.149 146 Y CB -0.722 37.777 38.460 0.065 0.000 0.976 146 Y HN -0.148 nan 8.280 nan 0.000 0.505 147 V N 0.644 120.247 119.914 -0.519 0.000 2.407 147 V HA -0.298 3.821 4.120 -0.001 0.000 0.248 147 V C 2.691 178.648 176.094 -0.229 0.000 1.055 147 V CA 1.755 63.732 62.300 -0.537 0.000 1.049 147 V CB -1.466 30.082 31.823 -0.457 0.000 0.662 147 V HN 0.609 nan 8.190 nan 0.000 0.455 148 A N 0.205 122.991 122.820 -0.057 0.000 1.855 148 A HA -0.062 4.257 4.320 -0.001 0.000 0.215 148 A C 2.450 180.016 177.584 -0.031 0.000 1.191 148 A CA 1.843 53.875 52.037 -0.008 0.000 0.613 148 A CB -1.374 17.659 19.000 0.055 0.000 0.829 148 A HN 0.510 nan 8.150 nan 0.000 0.442 149 G N -0.693 108.135 108.800 0.048 0.000 2.529 149 G HA2 -0.288 3.671 3.960 -0.001 0.000 0.219 149 G HA3 -0.288 3.671 3.960 -0.001 0.000 0.219 149 G C 1.598 176.229 174.900 -0.447 0.000 1.177 149 G CA 1.896 47.052 45.100 0.094 0.000 0.773 149 G HN 0.441 nan 8.290 nan 0.000 0.573 150 T N 1.199 115.325 114.554 -0.712 0.000 2.720 150 T HA -0.120 4.230 4.350 -0.001 0.000 0.268 150 T C 2.833 177.248 174.700 -0.475 0.000 1.037 150 T CA 1.625 63.153 62.100 -0.954 0.000 1.144 150 T CB -0.306 68.152 68.868 -0.682 0.000 0.864 150 T HN 0.292 nan 8.240 nan 0.000 0.444 151 S N 1.287 116.820 115.700 -0.279 0.000 2.383 151 S HA 0.075 4.545 4.470 -0.001 0.000 0.227 151 S C 2.039 176.598 174.600 -0.069 0.000 1.026 151 S CA 0.750 58.871 58.200 -0.131 0.000 0.981 151 S CB -0.412 62.739 63.200 -0.082 0.000 0.818 151 S HN 0.362 nan 8.310 nan 0.000 0.472 152 L N 1.000 122.184 121.223 -0.064 0.000 2.093 152 L HA -0.097 4.243 4.340 -0.001 0.000 0.208 152 L C 2.823 179.706 176.870 0.023 0.000 1.085 152 L CA 1.186 56.040 54.840 0.024 0.000 0.755 152 L CB -0.791 41.320 42.059 0.087 0.000 0.904 152 L HN 0.340 nan 8.230 nan 0.000 0.435 153 A N -0.194 122.582 122.820 -0.072 0.000 1.873 153 A HA -0.136 4.183 4.320 -0.001 0.000 0.215 153 A C 2.304 179.894 177.584 0.010 0.000 1.186 153 A CA 1.635 53.656 52.037 -0.026 0.000 0.616 153 A CB -0.740 18.189 19.000 -0.117 0.000 0.823 153 A HN 0.191 nan 8.150 nan 0.000 0.442 154 V N -0.044 119.861 119.914 -0.014 0.000 2.358 154 V HA -0.229 3.890 4.120 -0.001 0.000 0.246 154 V C 3.055 179.244 176.094 0.158 0.000 1.047 154 V CA 1.803 64.153 62.300 0.082 0.000 1.035 154 V CB -1.307 30.567 31.823 0.086 0.000 0.658 154 V HN 0.612 nan 8.190 nan 0.000 0.452 155 A N 0.985 123.889 122.820 0.141 0.000 1.917 155 A HA -0.280 4.039 4.320 -0.001 0.000 0.219 155 A C 2.593 180.268 177.584 0.152 0.000 1.182 155 A CA 2.595 54.746 52.037 0.189 0.000 0.633 155 A CB -0.963 18.119 19.000 0.138 0.000 0.819 155 A HN 0.718 nan 8.150 nan 0.000 0.448 156 S N 0.313 116.064 115.700 0.086 0.000 2.387 156 S HA -0.189 4.280 4.470 -0.001 0.000 0.230 156 S C 1.832 176.407 174.600 -0.041 0.000 1.035 156 S CA 1.686 59.908 58.200 0.038 0.000 1.014 156 S CB -0.925 62.300 63.200 0.042 0.000 0.836 156 S HN 0.493 nan 8.310 nan 0.000 0.466 157 L N -1.070 120.078 121.223 -0.124 0.000 2.191 157 L HA 0.025 4.364 4.340 -0.001 0.000 0.212 157 L C 1.579 178.133 176.870 -0.526 0.000 1.103 157 L CA 1.181 55.792 54.840 -0.382 0.000 0.769 157 L CB -0.518 41.180 42.059 -0.602 0.000 0.908 157 L HN 0.317 nan 8.230 nan 0.000 0.438 158 F N -0.563 119.399 119.950 0.019 0.000 2.682 158 F HA 0.372 4.899 4.527 -0.001 0.000 0.308 158 F C 1.165 176.954 175.800 -0.019 0.000 1.093 158 F CA -0.593 57.413 58.000 0.010 0.000 1.244 158 F CB -0.122 38.889 39.000 0.019 0.000 1.052 158 F HN -0.157 nan 8.300 nan 0.000 0.573 159 A N 0.732 123.578 122.820 0.043 0.000 2.293 159 A HA 0.600 4.919 4.320 -0.001 0.000 0.302 159 A C -2.424 175.014 177.584 -0.242 0.000 1.119 159 A CA -1.667 50.287 52.037 -0.138 0.000 0.823 159 A CB -0.076 18.783 19.000 -0.236 0.000 1.097 159 A HN -0.113 nan 8.150 nan 0.000 0.491 160 P HA 0.231 nan 4.420 nan 0.000 0.262 160 P C 0.512 177.645 177.300 -0.278 0.000 1.182 160 P CA 1.010 63.949 63.100 -0.269 0.000 0.761 160 P CB 0.849 32.404 31.700 -0.241 0.000 0.795 161 G N 2.090 110.808 108.800 -0.137 0.000 3.187 161 G HA2 0.567 4.526 3.960 -0.001 0.000 0.175 161 G HA3 0.567 4.526 3.960 -0.001 0.000 0.175 161 G C -0.233 174.612 174.900 -0.091 0.000 1.112 161 G CA -0.312 44.742 45.100 -0.078 0.000 0.821 161 G HN 0.567 nan 8.290 nan 0.000 0.636 162 G N -0.358 108.405 108.800 -0.063 0.000 2.491 162 G HA2 0.364 4.323 3.960 -0.001 0.000 0.242 162 G HA3 0.364 4.323 3.960 -0.001 0.000 0.242 162 G C 0.382 175.009 174.900 -0.456 0.000 1.266 162 G CA 0.613 45.614 45.100 -0.164 0.000 0.844 162 G HN 0.875 nan 8.290 nan 0.000 0.571 163 N N 0.007 118.561 118.700 -0.245 0.000 2.747 163 N HA -0.235 4.504 4.740 -0.001 0.000 0.249 163 N C 1.394 176.794 175.510 -0.184 0.000 1.107 163 N CA 1.616 54.540 53.050 -0.209 0.000 0.707 163 N CB -1.264 37.084 38.487 -0.232 0.000 1.054 163 N HN 1.926 nan 8.380 nan 0.000 0.555 164 G N -0.546 108.165 108.800 -0.148 0.000 2.179 164 G HA2 -0.349 3.610 3.960 -0.001 0.000 0.257 164 G HA3 -0.349 3.610 3.960 -0.001 0.000 0.257 164 G C 0.064 174.900 174.900 -0.107 0.000 1.010 164 G CA 1.230 46.272 45.100 -0.098 0.000 0.736 164 G HN 0.606 nan 8.290 nan 0.000 0.513 165 Q N -1.517 118.168 119.800 -0.191 0.000 2.712 165 Q HA 0.782 5.121 4.340 -0.001 0.000 0.267 165 Q C 0.397 176.360 176.000 -0.061 0.000 1.062 165 Q CA -1.084 54.645 55.803 -0.123 0.000 0.888 165 Q CB 1.195 29.838 28.738 -0.157 0.000 1.374 165 Q HN 0.291 nan 8.270 nan 0.000 0.498 166 L N 0.350 121.597 121.223 0.040 0.000 2.357 166 L HA 0.693 5.032 4.340 -0.001 0.000 0.273 166 L C 0.409 177.356 176.870 0.129 0.000 1.080 166 L CA -0.290 54.577 54.840 0.045 0.000 0.803 166 L CB 1.049 43.139 42.059 0.051 0.000 1.174 166 L HN 0.845 nan 8.230 nan 0.000 0.443 167 G N 1.488 110.318 108.800 0.050 0.000 2.690 167 G HA2 -0.145 3.815 3.960 -0.001 0.000 0.686 167 G HA3 -0.145 3.815 3.960 -0.001 0.000 0.686 167 G C -0.757 174.202 174.900 0.098 0.000 1.277 167 G CA -0.910 44.202 45.100 0.019 0.000 0.799 167 G HN 0.515 nan 8.290 nan 0.000 0.613 168 S N 0.195 115.901 115.700 0.010 0.000 2.438 168 S HA 0.603 5.072 4.470 -0.001 0.000 0.293 168 S C 0.871 175.450 174.600 -0.034 0.000 1.141 168 S CA 0.262 58.483 58.200 0.034 0.000 1.080 168 S CB 1.657 64.867 63.200 0.017 0.000 0.978 168 S HN 1.749 nan 8.310 nan 0.000 0.479 169 G N 2.263 111.057 108.800 -0.009 0.000 4.198 169 G HA2 0.414 4.373 3.960 -0.001 0.000 0.282 169 G HA3 0.414 4.373 3.960 -0.001 0.000 0.282 169 G C 0.509 175.423 174.900 0.023 0.000 1.262 169 G CA -0.530 44.525 45.100 -0.076 0.000 1.473 169 G HN 0.834 nan 8.290 nan 0.000 0.624 170 I N -2.282 118.298 120.570 0.018 0.000 4.154 170 I HA 0.532 4.702 4.170 -0.001 0.000 0.334 170 I C 0.823 176.940 176.117 -0.000 0.000 1.371 170 I CA -0.162 61.148 61.300 0.017 0.000 1.110 170 I CB 0.307 38.309 38.000 0.003 0.000 1.085 170 I HN 0.323 nan 8.210 nan 0.000 0.398 171 G N 2.166 110.982 108.800 0.026 0.000 2.731 171 G HA2 -0.279 3.681 3.960 -0.001 0.000 0.686 171 G HA3 -0.279 3.681 3.960 -0.001 0.000 0.686 171 G C 0.062 174.997 174.900 0.058 0.000 1.395 171 G CA -0.018 45.107 45.100 0.042 0.000 0.870 171 G HN 0.651 nan 8.290 nan 0.000 0.591 172 W N 0.908 122.185 121.300 -0.039 0.000 2.468 172 W HA 0.025 4.684 4.660 -0.001 0.000 0.262 172 W C 1.447 177.968 176.519 0.002 0.000 1.241 172 W CA 1.995 59.334 57.345 -0.009 0.000 1.232 172 W CB -1.108 28.326 29.460 -0.042 0.000 1.124 172 W HN 1.112 nan 8.180 nan 0.000 0.597 173 V N -0.521 118.996 119.914 -0.661 0.000 3.647 173 V HA 0.196 4.315 4.120 -0.001 0.000 0.279 173 V C 1.349 177.332 176.094 -0.185 0.000 1.314 173 V CA 0.212 62.079 62.300 -0.722 0.000 1.125 173 V CB -1.148 30.062 31.823 -1.022 0.000 0.907 173 V HN 0.182 nan 8.190 nan 0.000 0.434 174 L N -1.765 119.384 121.223 -0.124 0.000 3.634 174 L HA -0.215 4.124 4.340 -0.001 0.000 0.423 174 L C -0.075 176.713 176.870 -0.136 0.000 1.253 174 L CA 0.109 54.896 54.840 -0.088 0.000 0.885 174 L CB -2.885 39.112 42.059 -0.103 0.000 1.789 174 L HN 0.316 nan 8.230 nan 0.000 0.904 175 Y N 1.475 121.628 120.300 -0.244 0.000 2.717 175 Y HA 0.188 4.737 4.550 -0.001 0.000 0.330 175 Y C -1.146 174.541 175.900 -0.356 0.000 1.217 175 Y CA -1.982 55.938 58.100 -0.299 0.000 1.506 175 Y CB -0.060 38.352 38.460 -0.080 0.000 1.268 175 Y HN 0.101 nan 8.280 nan 0.000 0.561 176 P HA 0.229 nan 4.420 nan 0.000 0.280 176 P C -2.320 174.934 177.300 -0.076 0.000 1.272 176 P CA -2.027 60.936 63.100 -0.227 0.000 0.819 176 P CB 1.138 32.652 31.700 -0.309 0.000 1.122 177 P HA 0.006 nan 4.420 nan 0.000 0.242 177 P C 1.480 178.786 177.300 0.009 0.000 1.197 177 P CA 0.116 63.226 63.100 0.018 0.000 0.765 177 P CB -0.167 31.560 31.700 0.046 0.000 0.936 178 L N 1.020 122.253 121.223 0.016 0.000 1.989 178 L HA -0.220 4.119 4.340 -0.001 0.000 0.211 178 L C 2.267 179.136 176.870 -0.002 0.000 1.071 178 L CA 2.630 57.483 54.840 0.022 0.000 0.749 178 L CB -1.485 40.601 42.059 0.044 0.000 0.890 178 L HN 0.047 nan 8.230 nan 0.000 0.431 179 S N -2.144 113.530 115.700 -0.042 0.000 2.402 179 S HA -0.167 4.302 4.470 -0.001 0.000 0.229 179 S C 1.835 176.404 174.600 -0.052 0.000 1.021 179 S CA 1.289 59.450 58.200 -0.065 0.000 0.974 179 S CB -1.457 61.659 63.200 -0.140 0.000 0.800 179 S HN 0.679 nan 8.310 nan 0.000 0.484 180 T N 0.061 114.591 114.554 -0.041 0.000 3.055 180 T HA 0.098 4.447 4.350 -0.001 0.000 0.265 180 T C 1.823 176.524 174.700 0.002 0.000 1.111 180 T CA 0.903 63.000 62.100 -0.006 0.000 1.118 180 T CB -0.350 68.541 68.868 0.039 0.000 0.909 180 T HN 0.628 nan 8.240 nan 0.000 0.501 181 S N -0.015 115.688 115.700 0.004 0.000 2.512 181 S HA 0.202 4.671 4.470 -0.001 0.000 0.216 181 S C 0.468 175.071 174.600 0.006 0.000 1.006 181 S CA -0.463 57.742 58.200 0.008 0.000 0.915 181 S CB -0.277 62.932 63.200 0.015 0.000 0.824 181 S HN 0.523 nan 8.310 nan 0.000 0.497 182 E N 3.460 123.664 120.200 0.006 0.000 2.558 182 E HA 0.157 4.506 4.350 -0.001 0.000 0.255 182 E C 0.290 176.891 176.600 0.000 0.000 0.968 182 E CA 0.097 56.503 56.400 0.010 0.000 0.939 182 E CB 0.434 30.146 29.700 0.020 0.000 0.921 182 E HN 0.541 nan 8.360 nan 0.000 0.477 183 S N 3.278 118.973 115.700 -0.010 0.000 2.608 183 S HA 0.645 5.114 4.470 -0.001 0.000 0.261 183 S C 0.908 175.499 174.600 -0.016 0.000 1.314 183 S CA -0.475 57.718 58.200 -0.012 0.000 0.992 183 S CB 1.001 64.187 63.200 -0.023 0.000 0.935 183 S HN 1.178 nan 8.310 nan 0.000 0.564 184 G N 0.643 109.445 108.800 0.003 0.000 2.642 184 G HA2 -0.216 3.744 3.960 -0.001 0.000 0.231 184 G HA3 -0.216 3.744 3.960 -0.001 0.000 0.231 184 G C -0.156 174.783 174.900 0.065 0.000 1.338 184 G CA 0.392 45.492 45.100 -0.001 0.000 0.883 184 G HN 1.928 nan 8.290 nan 0.000 0.570 185 Y N -2.403 117.909 120.300 0.019 0.000 2.527 185 Y HA 0.605 5.155 4.550 -0.001 0.000 0.247 185 Y C 2.379 178.300 175.900 0.036 0.000 1.138 185 Y CA 0.886 58.999 58.100 0.023 0.000 1.228 185 Y CB -0.332 38.151 38.460 0.038 0.000 1.252 185 Y HN 0.904 nan 8.280 nan 0.000 0.531 186 S N 0.902 116.483 115.700 -0.197 0.000 2.380 186 S HA -0.260 4.209 4.470 -0.001 0.000 0.229 186 S C 1.796 176.401 174.600 0.009 0.000 1.043 186 S CA 2.616 60.761 58.200 -0.092 0.000 1.038 186 S CB -0.686 62.451 63.200 -0.104 0.000 0.872 186 S HN 0.665 nan 8.310 nan 0.000 0.456 187 T N 1.742 116.299 114.554 0.004 0.000 2.821 187 T HA -0.054 4.296 4.350 -0.001 0.000 0.267 187 T C 1.398 176.076 174.700 -0.037 0.000 1.046 187 T CA 1.334 63.427 62.100 -0.011 0.000 1.139 187 T CB -0.457 68.399 68.868 -0.020 0.000 0.871 187 T HN 0.537 nan 8.240 nan 0.000 0.454 188 D N 1.172 121.566 120.400 -0.011 0.000 2.144 188 D HA -0.014 4.626 4.640 -0.001 0.000 0.200 188 D C 2.107 178.364 176.300 -0.072 0.000 0.978 188 D CA 0.797 54.731 54.000 -0.110 0.000 0.833 188 D CB -0.110 40.697 40.800 0.012 0.000 0.961 188 D HN 0.340 nan 8.370 nan 0.000 0.470 189 L N 0.941 122.262 121.223 0.164 0.000 2.093 189 L HA -0.111 4.228 4.340 -0.001 0.000 0.208 189 L C 2.664 179.631 176.870 0.162 0.000 1.085 189 L CA 0.757 55.756 54.840 0.265 0.000 0.755 189 L CB -0.307 41.902 42.059 0.249 0.000 0.904 189 L HN -0.034 nan 8.230 nan 0.000 0.435 190 A N 0.237 123.099 122.820 0.069 0.000 1.902 190 A HA -0.182 4.138 4.320 -0.001 0.000 0.217 190 A C 2.119 179.691 177.584 -0.020 0.000 1.181 190 A CA 1.311 53.373 52.037 0.041 0.000 0.623 190 A CB -0.458 18.555 19.000 0.023 0.000 0.818 190 A HN 0.269 nan 8.150 nan 0.000 0.443 191 I N -1.269 119.231 120.570 -0.118 0.000 2.315 191 I HA -0.174 3.995 4.170 -0.001 0.000 0.248 191 I C 2.170 178.215 176.117 -0.120 0.000 1.117 191 I CA 1.288 62.453 61.300 -0.225 0.000 1.404 191 I CB -1.467 36.330 38.000 -0.337 0.000 1.071 191 I HN 0.253 nan 8.210 nan 0.000 0.419 192 F N 1.320 121.329 119.950 0.097 0.000 2.163 192 F HA -0.003 4.524 4.527 -0.001 0.000 0.297 192 F C 2.652 178.531 175.800 0.131 0.000 1.094 192 F CA 0.823 58.920 58.000 0.161 0.000 1.290 192 F CB -1.284 37.791 39.000 0.124 0.000 1.017 192 F HN 0.003 nan 8.300 nan 0.000 0.483 193 A N 0.107 123.093 122.820 0.276 0.000 1.903 193 A HA -0.196 4.123 4.320 -0.001 0.000 0.219 193 A C 2.396 180.134 177.584 0.257 0.000 1.191 193 A CA 2.420 54.608 52.037 0.252 0.000 0.638 193 A CB -1.302 17.823 19.000 0.208 0.000 0.823 193 A HN 0.185 nan 8.150 nan 0.000 0.451 194 V N -0.782 119.120 119.914 -0.021 0.000 2.548 194 V HA -0.198 3.921 4.120 -0.001 0.000 0.249 194 V C 2.426 178.374 176.094 -0.244 0.000 1.055 194 V CA 1.881 63.927 62.300 -0.422 0.000 1.065 194 V CB -1.046 30.329 31.823 -0.747 0.000 0.681 194 V HN 0.636 nan 8.190 nan 0.000 0.462 195 H N 0.002 119.037 119.070 -0.058 0.000 2.352 195 H HA -0.071 4.484 4.556 -0.001 0.000 0.299 195 H C 2.244 177.608 175.328 0.061 0.000 1.097 195 H CA 1.750 57.807 56.048 0.015 0.000 1.311 195 H CB -0.108 29.731 29.762 0.129 0.000 1.377 195 H HN 0.333 nan 8.280 nan 0.000 0.504 196 L N -0.662 120.713 121.223 0.253 0.000 2.072 196 L HA -0.116 4.223 4.340 -0.001 0.000 0.205 196 L C 2.794 179.806 176.870 0.237 0.000 1.079 196 L CA 1.008 55.983 54.840 0.224 0.000 0.752 196 L CB -0.424 41.766 42.059 0.219 0.000 0.906 196 L HN 0.157 nan 8.230 nan 0.000 0.436 197 S N 0.436 116.282 115.700 0.244 0.000 2.359 197 S HA -0.188 4.281 4.470 -0.001 0.000 0.224 197 S C 2.088 176.771 174.600 0.138 0.000 1.035 197 S CA 1.670 59.992 58.200 0.202 0.000 1.018 197 S CB -0.611 62.544 63.200 -0.074 0.000 0.876 197 S HN 0.511 nan 8.310 nan 0.000 0.448 198 G N 0.528 109.368 108.800 0.067 0.000 2.450 198 G HA2 -0.058 3.901 3.960 -0.001 0.000 0.220 198 G HA3 -0.058 3.901 3.960 -0.001 0.000 0.220 198 G C 1.630 176.594 174.900 0.106 0.000 1.130 198 G CA 1.085 46.226 45.100 0.067 0.000 0.760 198 G HN 0.742 nan 8.290 nan 0.000 0.557 199 A N 0.473 123.373 122.820 0.134 0.000 1.897 199 A HA 0.074 4.394 4.320 -0.001 0.000 0.215 199 A C 2.621 180.299 177.584 0.156 0.000 1.181 199 A CA 2.062 54.177 52.037 0.131 0.000 0.620 199 A CB -0.853 18.224 19.000 0.128 0.000 0.821 199 A HN 0.433 nan 8.150 nan 0.000 0.443 200 S N -0.119 115.702 115.700 0.202 0.000 2.359 200 S HA -0.177 4.293 4.470 -0.001 0.000 0.223 200 S C 2.266 177.002 174.600 0.227 0.000 1.039 200 S CA 2.252 60.606 58.200 0.257 0.000 1.042 200 S CB -0.488 62.915 63.200 0.340 0.000 0.915 200 S HN 0.550 nan 8.310 nan 0.000 0.439 201 S N 1.458 117.260 115.700 0.171 0.000 2.356 201 S HA -0.026 4.443 4.470 -0.001 0.000 0.223 201 S C 1.864 176.532 174.600 0.114 0.000 1.032 201 S CA 1.429 59.696 58.200 0.112 0.000 1.005 201 S CB -0.454 62.765 63.200 0.031 0.000 0.867 201 S HN 0.485 nan 8.310 nan 0.000 0.449 202 I N 1.640 122.269 120.570 0.098 0.000 2.142 202 I HA -0.159 4.011 4.170 -0.001 0.000 0.240 202 I C 2.267 178.440 176.117 0.092 0.000 1.078 202 I CA 1.342 62.687 61.300 0.076 0.000 1.343 202 I CB -1.271 36.767 38.000 0.064 0.000 1.046 202 I HN 0.285 nan 8.210 nan 0.000 0.405 203 L N 0.588 121.879 121.223 0.114 0.000 2.012 203 L HA -0.176 4.164 4.340 -0.001 0.000 0.210 203 L C 2.743 179.707 176.870 0.157 0.000 1.073 203 L CA 1.746 56.657 54.840 0.119 0.000 0.748 203 L CB -1.296 40.843 42.059 0.135 0.000 0.891 203 L HN 0.316 nan 8.230 nan 0.000 0.431 204 G N -0.345 108.581 108.800 0.210 0.000 2.476 204 G HA2 -0.308 3.652 3.960 -0.001 0.000 0.218 204 G HA3 -0.308 3.652 3.960 -0.001 0.000 0.218 204 G C 1.751 176.804 174.900 0.256 0.000 1.164 204 G CA 0.982 46.228 45.100 0.243 0.000 0.768 204 G HN 0.498 nan 8.290 nan 0.000 0.560 205 A N 0.845 123.839 122.820 0.290 0.000 1.902 205 A HA 0.031 4.350 4.320 -0.001 0.000 0.217 205 A C 2.374 179.988 177.584 0.050 0.000 1.181 205 A CA 1.404 53.564 52.037 0.205 0.000 0.623 205 A CB -0.288 18.747 19.000 0.059 0.000 0.818 205 A HN 0.298 nan 8.150 nan 0.000 0.443 206 I N 0.502 121.102 120.570 0.048 0.000 2.163 206 I HA -0.252 3.917 4.170 -0.001 0.000 0.243 206 I C 2.233 178.438 176.117 0.148 0.000 1.085 206 I CA 1.526 62.854 61.300 0.048 0.000 1.347 206 I CB -1.618 36.406 38.000 0.041 0.000 1.044 206 I HN 0.344 nan 8.210 nan 0.000 0.408 207 N N 0.819 119.629 118.700 0.183 0.000 2.025 207 N HA -0.169 4.570 4.740 -0.001 0.000 0.194 207 N C 1.851 177.408 175.510 0.079 0.000 1.044 207 N CA 1.447 54.605 53.050 0.179 0.000 0.851 207 N CB -0.213 38.360 38.487 0.143 0.000 1.036 207 N HN 0.203 nan 8.380 nan 0.000 0.422 208 M N 0.642 120.269 119.600 0.045 0.000 2.108 208 M HA -0.125 4.354 4.480 -0.001 0.000 0.261 208 M C 2.090 178.477 176.300 0.145 0.000 1.066 208 M CA 1.057 56.381 55.300 0.039 0.000 1.107 208 M CB -1.024 31.570 32.600 -0.010 0.000 1.356 208 M HN 0.117 nan 8.290 nan 0.000 0.406 209 I N -0.046 120.584 120.570 0.100 0.000 2.179 209 I HA -0.223 3.947 4.170 -0.001 0.000 0.242 209 I C 2.270 178.534 176.117 0.246 0.000 1.088 209 I CA 1.625 63.029 61.300 0.174 0.000 1.357 209 I CB -1.697 36.172 38.000 -0.218 0.000 1.051 209 I HN 0.304 nan 8.210 nan 0.000 0.409 210 T N 0.263 114.901 114.554 0.141 0.000 2.857 210 T HA -0.087 4.263 4.350 -0.001 0.000 0.266 210 T C 1.912 176.622 174.700 0.017 0.000 1.048 210 T CA 1.616 63.777 62.100 0.101 0.000 1.139 210 T CB -0.309 68.632 68.868 0.122 0.000 0.874 210 T HN 0.323 nan 8.240 nan 0.000 0.455 211 T N 1.670 116.220 114.554 -0.006 0.000 2.821 211 T HA 0.006 4.356 4.350 -0.001 0.000 0.267 211 T C 1.507 176.189 174.700 -0.029 0.000 1.046 211 T CA 0.765 62.826 62.100 -0.064 0.000 1.139 211 T CB -0.404 68.416 68.868 -0.081 0.000 0.871 211 T HN 0.359 nan 8.240 nan 0.000 0.454 212 F N 1.070 120.951 119.950 -0.116 0.000 2.206 212 F HA 0.194 4.720 4.527 -0.001 0.000 0.298 212 F C 1.764 177.401 175.800 -0.273 0.000 1.090 212 F CA 0.884 58.745 58.000 -0.231 0.000 1.323 212 F CB -0.162 38.663 39.000 -0.292 0.000 1.028 212 F HN 0.029 nan 8.300 nan 0.000 0.492 213 L N -0.274 121.002 121.223 0.087 0.000 2.341 213 L HA -0.028 4.312 4.340 -0.001 0.000 0.214 213 L C 1.049 177.896 176.870 -0.040 0.000 1.115 213 L CA 0.604 55.472 54.840 0.046 0.000 0.820 213 L CB -0.280 41.907 42.059 0.214 0.000 0.944 213 L HN 0.156 nan 8.230 nan 0.000 0.452 214 N N -1.342 117.322 118.700 -0.060 0.000 2.145 214 N HA 0.208 4.947 4.740 -0.001 0.000 0.219 214 N C 0.808 176.256 175.510 -0.104 0.000 1.266 214 N CA 0.301 53.311 53.050 -0.066 0.000 0.902 214 N CB 1.052 39.515 38.487 -0.040 0.000 1.078 214 N HN 0.249 nan 8.380 nan 0.000 0.513 215 M N 0.246 119.761 119.600 -0.142 0.000 2.625 215 M HA 0.263 4.742 4.480 -0.001 0.000 0.396 215 M C -0.477 175.724 176.300 -0.166 0.000 1.174 215 M CA -0.211 55.002 55.300 -0.145 0.000 0.898 215 M CB 1.199 33.708 32.600 -0.152 0.000 1.450 215 M HN -0.242 nan 8.290 nan 0.000 0.522 216 R N 1.747 122.124 120.500 -0.205 0.000 2.442 216 R HA 0.486 4.825 4.340 -0.001 0.000 0.291 216 R C 0.460 176.675 176.300 -0.142 0.000 1.069 216 R CA -0.234 55.737 56.100 -0.215 0.000 1.022 216 R CB 0.651 30.768 30.300 -0.306 0.000 0.976 216 R HN 0.255 nan 8.270 nan 0.000 0.443 217 A N 5.975 128.729 122.820 -0.110 0.000 2.565 217 A HA 0.089 4.408 4.320 -0.001 0.000 0.237 217 A C -1.850 175.694 177.584 -0.067 0.000 1.053 217 A CA -0.919 51.074 52.037 -0.074 0.000 0.755 217 A CB -0.429 18.540 19.000 -0.051 0.000 0.980 217 A HN 0.460 nan 8.150 nan 0.000 0.506 218 P HA 0.097 nan 4.420 nan 0.000 0.261 218 P C 1.243 178.521 177.300 -0.035 0.000 1.158 218 P CA 2.053 65.128 63.100 -0.042 0.000 0.758 218 P CB 0.304 31.986 31.700 -0.030 0.000 0.763 219 G N 2.718 111.498 108.800 -0.034 0.000 2.320 219 G HA2 -0.347 3.612 3.960 -0.001 0.000 0.242 219 G HA3 -0.347 3.612 3.960 -0.001 0.000 0.242 219 G C 0.382 175.263 174.900 -0.031 0.000 1.033 219 G CA 0.277 45.362 45.100 -0.025 0.000 0.620 219 G HN 0.616 nan 8.290 nan 0.000 0.517 220 M N 3.296 122.866 119.600 -0.050 0.000 2.922 220 M HA 0.552 5.031 4.480 -0.001 0.000 0.294 220 M C 0.798 177.041 176.300 -0.094 0.000 1.556 220 M CA 0.731 55.992 55.300 -0.065 0.000 1.568 220 M CB -0.374 32.174 32.600 -0.086 0.000 1.462 220 M HN 0.309 nan 8.290 nan 0.000 0.489 221 T N 2.489 117.013 114.554 -0.049 0.000 2.816 221 T HA 0.211 4.560 4.350 -0.001 0.000 0.282 221 T C 1.133 175.804 174.700 -0.049 0.000 0.993 221 T CA -0.540 61.533 62.100 -0.044 0.000 0.994 221 T CB 0.831 69.707 68.868 0.012 0.000 1.025 221 T HN 0.816 nan 8.240 nan 0.000 0.529 222 M N 1.097 120.654 119.600 -0.070 0.000 2.144 222 M HA -0.073 4.406 4.480 -0.001 0.000 0.260 222 M C 1.210 177.625 176.300 0.192 0.000 1.067 222 M CA 1.966 57.229 55.300 -0.061 0.000 1.095 222 M CB -0.325 32.201 32.600 -0.124 0.000 1.365 222 M HN 0.726 nan 8.290 nan 0.000 0.406 223 H N -1.573 117.715 119.070 0.363 0.000 2.568 223 H HA 0.206 4.761 4.556 -0.001 0.000 0.302 223 H C 0.722 176.173 175.328 0.206 0.000 1.065 223 H CA 0.035 56.344 56.048 0.436 0.000 1.140 223 H CB 0.161 30.103 29.762 0.299 0.000 1.474 223 H HN 0.308 nan 8.280 nan 0.000 0.545 224 K N -0.030 120.523 120.400 0.254 0.000 2.481 224 K HA 0.146 4.465 4.320 -0.001 0.000 0.210 224 K C -0.216 176.474 176.600 0.151 0.000 1.161 224 K CA -0.012 56.325 56.287 0.083 0.000 1.023 224 K CB 1.696 34.215 32.500 0.032 0.000 0.971 224 K HN -0.031 nan 8.250 nan 0.000 0.577 225 V N 4.555 124.626 119.914 0.262 0.000 2.585 225 V HA 0.042 4.161 4.120 -0.001 0.000 0.296 225 V C -2.207 174.202 176.094 0.525 0.000 1.035 225 V CA -1.301 61.120 62.300 0.203 0.000 1.084 225 V CB 0.212 31.919 31.823 -0.193 0.000 0.953 225 V HN 0.035 nan 8.190 nan 0.000 0.483 226 P HA 0.077 nan 4.420 nan 0.000 0.268 226 P C 0.970 178.741 177.300 0.784 0.000 1.208 226 P CA 0.015 63.440 63.100 0.541 0.000 0.777 226 P CB 0.528 32.441 31.700 0.355 0.000 0.875 227 L N 1.033 122.739 121.223 0.805 0.000 2.131 227 L HA -0.172 4.167 4.340 -0.001 0.000 0.210 227 L C 2.168 179.439 176.870 0.670 0.000 1.092 227 L CA 1.328 56.584 54.840 0.694 0.000 0.759 227 L CB -0.608 41.756 42.059 0.508 0.000 0.903 227 L HN 0.368 nan 8.230 nan 0.000 0.435 228 F N 0.919 121.172 119.950 0.505 0.000 2.102 228 F HA -0.253 4.273 4.527 -0.001 0.000 0.298 228 F C 2.429 178.491 175.800 0.437 0.000 1.105 228 F CA 1.310 59.482 58.000 0.288 0.000 1.239 228 F CB -0.347 38.630 39.000 -0.038 0.000 0.991 228 F HN 0.005 nan 8.300 nan 0.000 0.474 229 A N -0.616 122.487 122.820 0.472 0.000 1.902 229 A HA -0.225 4.094 4.320 -0.001 0.000 0.217 229 A C 2.194 179.964 177.584 0.310 0.000 1.181 229 A CA 1.577 53.818 52.037 0.341 0.000 0.623 229 A CB -1.767 17.505 19.000 0.453 0.000 0.818 229 A HN 0.665 nan 8.150 nan 0.000 0.443 230 W N 0.924 122.447 121.300 0.371 0.000 2.338 230 W HA -0.243 4.416 4.660 -0.001 0.000 0.304 230 W C 3.057 179.678 176.519 0.170 0.000 1.212 230 W CA 2.133 59.646 57.345 0.280 0.000 1.264 230 W CB -0.115 29.518 29.460 0.288 0.000 1.142 230 W HN 0.515 nan 8.180 nan 0.000 0.512 231 S N -0.154 115.771 115.700 0.375 0.000 2.382 231 S HA -0.195 4.274 4.470 -0.001 0.000 0.228 231 S C 1.724 176.400 174.600 0.127 0.000 1.027 231 S CA 1.358 59.699 58.200 0.234 0.000 0.991 231 S CB -0.668 62.657 63.200 0.208 0.000 0.823 231 S HN 0.089 nan 8.310 nan 0.000 0.469 232 I N 0.882 121.441 120.570 -0.018 0.000 2.315 232 I HA -0.016 4.153 4.170 -0.001 0.000 0.248 232 I C 2.242 178.456 176.117 0.162 0.000 1.117 232 I CA 0.980 62.297 61.300 0.028 0.000 1.404 232 I CB -1.460 36.414 38.000 -0.210 0.000 1.071 232 I HN 0.329 nan 8.210 nan 0.000 0.419 233 F N 1.723 121.611 119.950 -0.104 0.000 2.113 233 F HA -0.159 4.367 4.527 -0.001 0.000 0.297 233 F C 2.440 178.303 175.800 0.104 0.000 1.103 233 F CA 1.430 59.290 58.000 -0.233 0.000 1.248 233 F CB -0.542 37.860 39.000 -0.996 0.000 0.999 233 F HN -0.174 nan 8.300 nan 0.000 0.475 234 V N -0.105 119.887 119.914 0.130 0.000 2.295 234 V HA -0.329 3.791 4.120 -0.001 0.000 0.246 234 V C 2.363 178.532 176.094 0.124 0.000 1.049 234 V CA 2.407 64.781 62.300 0.123 0.000 1.024 234 V CB -1.367 30.575 31.823 0.198 0.000 0.648 234 V HN 0.412 nan 8.190 nan 0.000 0.447 235 T N 0.557 115.186 114.554 0.124 0.000 2.699 235 T HA -0.260 4.090 4.350 -0.001 0.000 0.268 235 T C 2.026 176.720 174.700 -0.010 0.000 1.036 235 T CA 1.902 64.039 62.100 0.062 0.000 1.147 235 T CB -0.482 68.440 68.868 0.090 0.000 0.862 235 T HN 0.603 nan 8.240 nan 0.000 0.446 236 A N 0.021 122.876 122.820 0.059 0.000 1.933 236 A HA -0.068 4.251 4.320 -0.001 0.000 0.218 236 A C 2.048 179.542 177.584 -0.151 0.000 1.175 236 A CA 1.209 53.235 52.037 -0.018 0.000 0.628 236 A CB -1.043 17.988 19.000 0.052 0.000 0.814 236 A HN 0.690 nan 8.150 nan 0.000 0.444 237 W N 0.224 121.445 121.300 -0.131 0.000 2.358 237 W HA -0.084 4.575 4.660 -0.001 0.000 0.303 237 W C 2.054 178.575 176.519 0.003 0.000 1.208 237 W CA 1.073 58.348 57.345 -0.116 0.000 1.274 237 W CB -0.305 29.025 29.460 -0.218 0.000 1.138 237 W HN 0.219 nan 8.180 nan 0.000 0.515 238 L N -0.373 121.017 121.223 0.278 0.000 2.046 238 L HA -0.231 4.108 4.340 -0.001 0.000 0.208 238 L C 2.154 179.198 176.870 0.288 0.000 1.077 238 L CA 1.224 56.285 54.840 0.368 0.000 0.747 238 L CB -1.046 41.162 42.059 0.249 0.000 0.896 238 L HN 0.019 nan 8.230 nan 0.000 0.432 239 I N -0.363 120.265 120.570 0.096 0.000 2.208 239 I HA -0.320 3.849 4.170 -0.001 0.000 0.245 239 I C 2.499 178.682 176.117 0.110 0.000 1.097 239 I CA 1.145 62.473 61.300 0.048 0.000 1.363 239 I CB -0.203 37.724 38.000 -0.122 0.000 1.051 239 I HN 0.204 nan 8.210 nan 0.000 0.413 240 L N -0.008 121.267 121.223 0.086 0.000 2.046 240 L HA -0.206 4.133 4.340 -0.001 0.000 0.208 240 L C 2.228 179.182 176.870 0.141 0.000 1.077 240 L CA 1.769 56.654 54.840 0.075 0.000 0.747 240 L CB -0.582 41.485 42.059 0.014 0.000 0.896 240 L HN 0.238 nan 8.230 nan 0.000 0.432 241 L N -1.935 119.410 121.223 0.204 0.000 2.162 241 L HA -0.028 4.311 4.340 -0.001 0.000 0.205 241 L C 2.356 179.466 176.870 0.400 0.000 1.086 241 L CA 1.071 56.040 54.840 0.215 0.000 0.778 241 L CB -0.242 41.801 42.059 -0.028 0.000 0.928 241 L HN 0.287 nan 8.230 nan 0.000 0.446 242 A N -0.339 122.779 122.820 0.496 0.000 1.874 242 A HA -0.113 4.206 4.320 -0.001 0.000 0.214 242 A C 1.969 179.802 177.584 0.415 0.000 1.189 242 A CA 0.757 53.104 52.037 0.516 0.000 0.615 242 A CB -0.425 18.798 19.000 0.371 0.000 0.830 242 A HN 0.306 nan 8.150 nan 0.000 0.443 243 L N -0.373 121.025 121.223 0.291 0.000 2.217 243 L HA -0.040 4.299 4.340 -0.001 0.000 0.211 243 L C -0.643 176.262 176.870 0.058 0.000 1.107 243 L CA 1.663 56.592 54.840 0.149 0.000 0.783 243 L CB -2.134 39.996 42.059 0.119 0.000 0.919 243 L HN 0.234 nan 8.230 nan 0.000 0.442 244 P HA -0.061 nan 4.420 nan 0.000 0.217 244 P C 2.154 179.469 177.300 0.026 0.000 1.151 244 P CA 0.740 63.871 63.100 0.052 0.000 0.828 244 P CB 0.186 31.921 31.700 0.058 0.000 0.788 245 V N -0.142 119.812 119.914 0.068 0.000 2.343 245 V HA -0.219 3.900 4.120 -0.001 0.000 0.247 245 V C 2.382 178.452 176.094 -0.040 0.000 1.051 245 V CA 1.587 63.902 62.300 0.025 0.000 1.036 245 V CB -1.240 30.662 31.823 0.132 0.000 0.654 245 V HN 0.061 nan 8.190 nan 0.000 0.451 246 L N 1.054 122.234 121.223 -0.072 0.000 2.046 246 L HA -0.093 4.246 4.340 -0.001 0.000 0.208 246 L C 2.481 179.191 176.870 -0.267 0.000 1.077 246 L CA 2.352 57.010 54.840 -0.303 0.000 0.747 246 L CB -0.979 40.595 42.059 -0.808 0.000 0.896 246 L HN 0.212 nan 8.230 nan 0.000 0.432 247 A N -0.287 122.433 122.820 -0.165 0.000 1.917 247 A HA -0.169 4.151 4.320 -0.001 0.000 0.219 247 A C 2.361 179.942 177.584 -0.005 0.000 1.182 247 A CA 1.887 53.894 52.037 -0.049 0.000 0.633 247 A CB -1.733 17.325 19.000 0.097 0.000 0.819 247 A HN 0.568 nan 8.150 nan 0.000 0.448 248 G N -0.558 108.218 108.800 -0.040 0.000 2.480 248 G HA2 -0.065 3.894 3.960 -0.001 0.000 0.216 248 G HA3 -0.065 3.894 3.960 -0.001 0.000 0.216 248 G C 1.831 176.690 174.900 -0.069 0.000 1.200 248 G CA 1.878 46.941 45.100 -0.060 0.000 0.782 248 G HN 0.914 nan 8.290 nan 0.000 0.554 249 A N 1.307 124.072 122.820 -0.092 0.000 1.873 249 A HA -0.118 4.201 4.320 -0.001 0.000 0.218 249 A C 2.471 180.117 177.584 0.102 0.000 1.193 249 A CA 2.062 54.079 52.037 -0.033 0.000 0.629 249 A CB -0.560 18.283 19.000 -0.262 0.000 0.826 249 A HN 0.869 nan 8.150 nan 0.000 0.447 250 I N -3.793 116.752 120.570 -0.041 0.000 2.928 250 I HA -0.029 4.141 4.170 -0.001 0.000 0.266 250 I C 1.872 177.979 176.117 -0.017 0.000 1.234 250 I CA 1.669 62.927 61.300 -0.069 0.000 1.483 250 I CB -0.638 37.184 38.000 -0.296 0.000 1.097 250 I HN 0.081 nan 8.210 nan 0.000 0.455 251 T N 1.458 116.041 114.554 0.048 0.000 2.896 251 T HA 0.065 4.414 4.350 -0.001 0.000 0.263 251 T C 1.931 176.689 174.700 0.097 0.000 1.050 251 T CA 1.480 63.662 62.100 0.138 0.000 1.140 251 T CB -0.171 68.793 68.868 0.159 0.000 0.877 251 T HN 0.310 nan 8.240 nan 0.000 0.457 252 M N 0.762 120.374 119.600 0.021 0.000 2.149 252 M HA -0.034 4.446 4.480 -0.001 0.000 0.261 252 M C 2.101 178.535 176.300 0.223 0.000 1.064 252 M CA 1.495 56.762 55.300 -0.055 0.000 1.102 252 M CB -0.702 31.718 32.600 -0.301 0.000 1.369 252 M HN 0.217 nan 8.290 nan 0.000 0.408 253 L N -0.472 120.915 121.223 0.273 0.000 2.056 253 L HA -0.201 4.139 4.340 -0.001 0.000 0.207 253 L C 2.462 179.391 176.870 0.099 0.000 1.078 253 L CA 0.706 55.656 54.840 0.184 0.000 0.749 253 L CB -0.637 41.437 42.059 0.026 0.000 0.901 253 L HN 0.263 nan 8.230 nan 0.000 0.433 254 L N -0.108 121.161 121.223 0.076 0.000 2.083 254 L HA -0.174 4.166 4.340 -0.001 0.000 0.209 254 L C 2.761 179.715 176.870 0.140 0.000 1.083 254 L CA 2.322 57.193 54.840 0.051 0.000 0.752 254 L CB -0.616 41.476 42.059 0.056 0.000 0.899 254 L HN 0.450 nan 8.230 nan 0.000 0.433 255 T N -5.108 109.600 114.554 0.255 0.000 2.851 255 T HA -0.120 4.229 4.350 -0.001 0.000 0.262 255 T C 1.681 176.498 174.700 0.196 0.000 1.043 255 T CA 1.002 63.315 62.100 0.354 0.000 1.140 255 T CB -0.571 68.543 68.868 0.410 0.000 0.872 255 T HN 0.166 nan 8.240 nan 0.000 0.446 256 D N 1.220 121.724 120.400 0.174 0.000 2.190 256 D HA -0.026 4.614 4.640 -0.001 0.000 0.200 256 D C 2.429 178.752 176.300 0.037 0.000 0.992 256 D CA 0.896 54.951 54.000 0.092 0.000 0.854 256 D CB -0.142 40.738 40.800 0.132 0.000 0.936 256 D HN 0.456 nan 8.370 nan 0.000 0.462 257 R N -0.522 119.988 120.500 0.016 0.000 2.080 257 R HA 0.142 4.481 4.340 -0.001 0.000 0.222 257 R C 1.400 177.630 176.300 -0.116 0.000 1.107 257 R CA 0.781 56.857 56.100 -0.040 0.000 0.980 257 R CB 0.164 30.434 30.300 -0.049 0.000 0.879 257 R HN 0.159 nan 8.270 nan 0.000 0.439 258 N N -1.131 117.434 118.700 -0.226 0.000 2.382 258 N HA 0.067 4.806 4.740 -0.001 0.000 0.200 258 N C -0.048 175.081 175.510 -0.636 0.000 1.122 258 N CA 0.519 53.251 53.050 -0.531 0.000 0.870 258 N CB 0.791 38.734 38.487 -0.906 0.000 1.176 258 N HN 0.046 nan 8.380 nan 0.000 0.474 259 F N 0.225 120.192 119.950 0.029 0.000 2.814 259 F HA 0.400 4.926 4.527 -0.001 0.000 0.326 259 F C 1.400 177.197 175.800 -0.006 0.000 1.159 259 F CA -0.518 57.493 58.000 0.019 0.000 1.234 259 F CB 0.499 39.521 39.000 0.036 0.000 1.016 259 F HN -0.027 nan 8.300 nan 0.000 0.510 260 G N 0.785 109.633 108.800 0.080 0.000 2.175 260 G HA2 -0.349 3.610 3.960 -0.001 0.000 0.265 260 G HA3 -0.349 3.610 3.960 -0.001 0.000 0.265 260 G C 0.594 175.474 174.900 -0.033 0.000 0.979 260 G CA 0.654 45.766 45.100 0.020 0.000 0.663 260 G HN 0.543 nan 8.290 nan 0.000 0.533 261 T N -3.240 111.290 114.554 -0.040 0.000 2.726 261 T HA 0.546 4.895 4.350 -0.001 0.000 0.294 261 T C 0.778 175.337 174.700 -0.236 0.000 1.013 261 T CA 0.967 62.928 62.100 -0.231 0.000 0.996 261 T CB 1.975 70.637 68.868 -0.343 0.000 1.016 261 T HN 0.683 nan 8.240 nan 0.000 0.529 262 T N -0.075 114.228 114.554 -0.419 0.000 3.604 262 T HA 0.286 4.635 4.350 -0.001 0.000 0.305 262 T C 0.511 175.036 174.700 -0.291 0.000 0.978 262 T CA -0.581 61.365 62.100 -0.256 0.000 0.999 262 T CB -0.773 67.985 68.868 -0.184 0.000 1.204 262 T HN 0.481 nan 8.240 nan 0.000 0.476 263 F N 0.692 120.440 119.950 -0.337 0.000 2.154 263 F HA 0.073 4.599 4.527 -0.001 0.000 0.301 263 F C 1.108 176.571 175.800 -0.561 0.000 1.087 263 F CA 1.370 59.006 58.000 -0.606 0.000 1.274 263 F CB -0.213 38.103 39.000 -1.139 0.000 1.009 263 F HN 0.386 nan 8.300 nan 0.000 0.485 264 F N -1.235 118.830 119.950 0.192 0.000 2.724 264 F HA 0.280 4.806 4.527 -0.001 0.000 0.310 264 F C 0.056 175.889 175.800 0.055 0.000 1.107 264 F CA -0.706 57.359 58.000 0.108 0.000 1.218 264 F CB -0.453 38.588 39.000 0.069 0.000 1.042 264 F HN -0.241 nan 8.300 nan 0.000 0.540 265 Q N 1.405 121.284 119.800 0.132 0.000 2.372 265 Q HA 0.308 4.647 4.340 -0.001 0.000 0.259 265 Q C -2.078 173.954 176.000 0.054 0.000 0.993 265 Q CA -2.127 53.724 55.803 0.080 0.000 0.854 265 Q CB 1.547 30.307 28.738 0.037 0.000 1.231 265 Q HN 0.044 nan 8.270 nan 0.000 0.462 266 P HA -0.211 nan 4.420 nan 0.000 0.217 266 P C 1.394 178.712 177.300 0.029 0.000 1.148 266 P CA 1.626 64.756 63.100 0.051 0.000 0.828 266 P CB 0.308 32.039 31.700 0.053 0.000 0.783 267 S N -1.199 114.514 115.700 0.021 0.000 2.402 267 S HA -0.037 4.433 4.470 -0.001 0.000 0.229 267 S C 1.966 176.563 174.600 -0.004 0.000 1.021 267 S CA 1.244 59.449 58.200 0.009 0.000 0.974 267 S CB -1.600 61.605 63.200 0.008 0.000 0.800 267 S HN 0.216 nan 8.310 nan 0.000 0.484 268 G N -0.443 108.348 108.800 -0.014 0.000 3.448 268 G HA2 0.479 4.439 3.960 -0.001 0.000 0.261 268 G HA3 0.479 4.439 3.960 -0.001 0.000 0.261 268 G C 0.935 175.810 174.900 -0.040 0.000 1.173 268 G CA -0.088 44.989 45.100 -0.038 0.000 0.835 268 G HN 1.317 nan 8.290 nan 0.000 0.534 269 G N -1.225 107.567 108.800 -0.013 0.000 2.176 269 G HA2 -0.066 3.893 3.960 -0.001 0.000 0.253 269 G HA3 -0.066 3.893 3.960 -0.001 0.000 0.253 269 G C 0.827 175.736 174.900 0.015 0.000 0.979 269 G CA 0.230 45.328 45.100 -0.002 0.000 0.641 269 G HN 1.031 nan 8.290 nan 0.000 0.530 270 G N -0.763 108.050 108.800 0.020 0.000 2.588 270 G HA2 0.506 4.465 3.960 -0.001 0.000 0.281 270 G HA3 0.506 4.465 3.960 -0.001 0.000 0.281 270 G C -0.760 174.214 174.900 0.124 0.000 1.236 270 G CA 0.547 45.685 45.100 0.063 0.000 0.969 270 G HN 0.510 nan 8.290 nan 0.000 0.504 271 D N -1.077 119.448 120.400 0.209 0.000 2.616 271 D HA 0.357 4.997 4.640 -0.001 0.000 0.238 271 D C -1.952 174.528 176.300 0.300 0.000 1.354 271 D CA -1.732 52.397 54.000 0.216 0.000 0.970 271 D CB 2.158 43.069 40.800 0.186 0.000 1.369 271 D HN -0.035 nan 8.370 nan 0.000 0.585 272 P HA -0.096 nan 4.420 nan 0.000 0.219 272 P C 1.442 178.737 177.300 -0.008 0.000 1.146 272 P CA 0.420 63.578 63.100 0.098 0.000 0.808 272 P CB 0.464 32.189 31.700 0.042 0.000 0.779 273 V N -0.613 119.332 119.914 0.050 0.000 2.809 273 V HA -0.157 3.962 4.120 -0.001 0.000 0.256 273 V C 2.279 178.422 176.094 0.081 0.000 1.080 273 V CA 1.014 63.320 62.300 0.010 0.000 1.102 273 V CB -1.067 30.785 31.823 0.049 0.000 0.705 273 V HN 0.065 nan 8.190 nan 0.000 0.475 274 L N -0.184 121.161 121.223 0.203 0.000 2.046 274 L HA -0.191 4.148 4.340 -0.001 0.000 0.208 274 L C 2.290 179.252 176.870 0.153 0.000 1.077 274 L CA 2.154 57.165 54.840 0.285 0.000 0.747 274 L CB -0.852 41.430 42.059 0.371 0.000 0.896 274 L HN 0.464 nan 8.230 nan 0.000 0.432 275 Y N 0.266 120.416 120.300 -0.250 0.000 2.165 275 Y HA -0.328 4.222 4.550 -0.001 0.000 0.286 275 Y C 2.531 178.184 175.900 -0.410 0.000 1.155 275 Y CA 2.272 59.974 58.100 -0.663 0.000 1.164 275 Y CB -0.287 37.313 38.460 -1.434 0.000 0.978 275 Y HN 0.390 nan 8.280 nan 0.000 0.513 276 Q N -1.107 118.489 119.800 -0.341 0.000 2.084 276 Q HA -0.233 4.106 4.340 -0.001 0.000 0.202 276 Q C 2.110 178.030 176.000 -0.133 0.000 0.978 276 Q CA 1.505 57.104 55.803 -0.340 0.000 0.844 276 Q CB -0.315 28.258 28.738 -0.276 0.000 0.898 276 Q HN 0.635 nan 8.270 nan 0.000 0.426 277 H N 0.227 119.303 119.070 0.009 0.000 2.319 277 H HA -0.130 4.426 4.556 -0.001 0.000 0.299 277 H C 2.127 177.355 175.328 -0.166 0.000 1.092 277 H CA 1.242 57.348 56.048 0.096 0.000 1.302 277 H CB 0.090 29.952 29.762 0.167 0.000 1.373 277 H HN 0.211 nan 8.280 nan 0.000 0.497 278 I N 0.596 121.086 120.570 -0.134 0.000 2.163 278 I HA -0.208 3.961 4.170 -0.001 0.000 0.240 278 I C 2.784 178.727 176.117 -0.290 0.000 1.081 278 I CA 0.668 61.827 61.300 -0.235 0.000 1.353 278 I CB -1.391 36.468 38.000 -0.237 0.000 1.054 278 I HN 0.148 nan 8.210 nan 0.000 0.407 279 L N 0.206 121.058 121.223 -0.618 0.000 1.990 279 L HA -0.200 4.139 4.340 -0.001 0.000 0.213 279 L C 2.394 179.027 176.870 -0.396 0.000 1.072 279 L CA 2.033 56.461 54.840 -0.687 0.000 0.755 279 L CB -0.580 40.749 42.059 -1.217 0.000 0.889 279 L HN 0.201 nan 8.230 nan 0.000 0.432 280 W N -1.868 119.334 121.300 -0.164 0.000 2.678 280 W HA -0.092 4.567 4.660 -0.001 0.000 0.256 280 W C 2.196 178.691 176.519 -0.041 0.000 1.280 280 W CA 0.170 57.461 57.345 -0.090 0.000 1.345 280 W CB -0.235 29.240 29.460 0.025 0.000 1.118 280 W HN 0.172 nan 8.180 nan 0.000 0.629 281 F N 0.026 119.889 119.950 -0.145 0.000 2.171 281 F HA -0.220 4.307 4.527 -0.001 0.000 0.300 281 F C 2.197 177.983 175.800 -0.024 0.000 1.090 281 F CA 1.698 59.543 58.000 -0.259 0.000 1.293 281 F CB -0.556 38.150 39.000 -0.489 0.000 1.013 281 F HN -0.022 nan 8.300 nan 0.000 0.486 282 F N -0.009 119.960 119.950 0.032 0.000 2.270 282 F HA 0.176 4.703 4.527 -0.001 0.000 0.295 282 F C 2.217 177.974 175.800 -0.072 0.000 1.087 282 F CA 1.374 59.361 58.000 -0.021 0.000 1.365 282 F CB -1.044 37.934 39.000 -0.037 0.000 1.056 282 F HN -0.116 nan 8.300 nan 0.000 0.506 283 G N -0.792 107.769 108.800 -0.398 0.000 2.408 283 G HA2 -0.298 3.661 3.960 -0.001 0.000 0.217 283 G HA3 -0.298 3.661 3.960 -0.001 0.000 0.217 283 G C 1.373 176.151 174.900 -0.203 0.000 1.150 283 G CA 1.165 45.981 45.100 -0.473 0.000 0.776 283 G HN 0.554 nan 8.290 nan 0.000 0.542 284 H N 1.476 120.529 119.070 -0.027 0.000 2.284 284 H HA 0.022 4.577 4.556 -0.001 0.000 0.304 284 H C 0.163 175.427 175.328 -0.106 0.000 1.069 284 H CA 1.468 57.548 56.048 0.053 0.000 1.327 284 H CB -0.434 29.449 29.762 0.202 0.000 1.387 284 H HN 0.224 nan 8.280 nan 0.000 0.498 285 P HA -0.225 nan 4.420 nan 0.000 0.218 285 P C 1.155 178.255 177.300 -0.333 0.000 1.152 285 P CA 2.155 65.059 63.100 -0.327 0.000 0.857 285 P CB -0.064 31.166 31.700 -0.783 0.000 0.787 286 E N 0.160 120.012 120.200 -0.580 0.000 2.114 286 E HA -0.213 4.136 4.350 -0.001 0.000 0.199 286 E C 1.665 177.992 176.600 -0.455 0.000 1.008 286 E CA 2.116 58.160 56.400 -0.594 0.000 0.810 286 E CB -1.171 27.979 29.700 -0.918 0.000 0.739 286 E HN 0.195 nan 8.360 nan 0.000 0.456 287 V N -1.564 118.033 119.914 -0.529 0.000 2.719 287 V HA -0.090 4.029 4.120 -0.001 0.000 0.252 287 V C 1.800 177.539 176.094 -0.592 0.000 1.065 287 V CA 1.401 63.343 62.300 -0.596 0.000 1.086 287 V CB -0.994 30.395 31.823 -0.722 0.000 0.700 287 V HN 0.270 nan 8.190 nan 0.000 0.467 288 Y N 0.374 120.532 120.300 -0.236 0.000 2.395 288 Y HA 0.250 4.800 4.550 -0.001 0.000 0.293 288 Y C 2.292 178.096 175.900 -0.161 0.000 1.123 288 Y CA 1.199 59.218 58.100 -0.135 0.000 1.227 288 Y CB -0.454 37.996 38.460 -0.016 0.000 1.012 288 Y HN 0.183 nan 8.280 nan 0.000 0.552 289 I N -0.309 120.206 120.570 -0.092 0.000 2.226 289 I HA -0.315 3.854 4.170 -0.001 0.000 0.245 289 I C 2.036 178.045 176.117 -0.179 0.000 1.100 289 I CA 1.443 62.653 61.300 -0.150 0.000 1.374 289 I CB -0.367 37.510 38.000 -0.205 0.000 1.057 289 I HN 0.185 nan 8.210 nan 0.000 0.413 290 I N -0.383 120.050 120.570 -0.228 0.000 2.142 290 I HA -0.273 3.896 4.170 -0.001 0.000 0.240 290 I C 2.515 178.527 176.117 -0.174 0.000 1.078 290 I CA 1.342 62.517 61.300 -0.209 0.000 1.343 290 I CB -0.322 37.517 38.000 -0.269 0.000 1.046 290 I HN 0.065 nan 8.210 nan 0.000 0.405 291 V N 0.690 120.456 119.914 -0.247 0.000 2.878 291 V HA -0.094 4.025 4.120 -0.001 0.000 0.250 291 V C 2.216 177.968 176.094 -0.570 0.000 1.075 291 V CA 0.977 63.056 62.300 -0.369 0.000 1.096 291 V CB 0.135 31.701 31.823 -0.429 0.000 0.724 291 V HN 0.276 nan 8.190 nan 0.000 0.467 292 L N 0.382 121.380 121.223 -0.375 0.000 1.989 292 L HA -0.137 4.203 4.340 -0.001 0.000 0.211 292 L C 0.011 176.897 176.870 0.028 0.000 1.071 292 L CA 2.174 56.903 54.840 -0.186 0.000 0.749 292 L CB -1.763 40.310 42.059 0.024 0.000 0.890 292 L HN 0.329 nan 8.230 nan 0.000 0.431 293 P HA -0.199 nan 4.420 nan 0.000 0.216 293 P C 1.341 178.811 177.300 0.282 0.000 1.150 293 P CA 1.811 65.042 63.100 0.219 0.000 0.843 293 P CB -0.034 31.827 31.700 0.268 0.000 0.787 294 A N -1.392 121.490 122.820 0.103 0.000 1.930 294 A HA -0.188 4.131 4.320 -0.001 0.000 0.217 294 A C 1.924 179.495 177.584 -0.023 0.000 1.175 294 A CA 1.280 53.324 52.037 0.012 0.000 0.627 294 A CB -1.634 17.349 19.000 -0.028 0.000 0.815 294 A HN 0.022 nan 8.150 nan 0.000 0.443 295 F N 0.503 120.423 119.950 -0.049 0.000 2.069 295 F HA -0.106 4.420 4.527 -0.001 0.000 0.298 295 F C 2.719 178.651 175.800 0.220 0.000 1.113 295 F CA 0.644 58.700 58.000 0.093 0.000 1.214 295 F CB -1.561 37.633 39.000 0.323 0.000 0.978 295 F HN 0.277 nan 8.300 nan 0.000 0.474 296 G N 0.384 109.476 108.800 0.488 0.000 2.476 296 G HA2 -0.264 3.696 3.960 -0.001 0.000 0.218 296 G HA3 -0.264 3.696 3.960 -0.001 0.000 0.218 296 G C 1.908 177.043 174.900 0.392 0.000 1.164 296 G CA 1.167 46.573 45.100 0.509 0.000 0.768 296 G HN 0.379 nan 8.290 nan 0.000 0.560 297 I N 0.275 120.987 120.570 0.237 0.000 2.226 297 I HA -0.156 4.013 4.170 -0.001 0.000 0.245 297 I C 2.782 178.718 176.117 -0.301 0.000 1.100 297 I CA 0.439 61.632 61.300 -0.177 0.000 1.374 297 I CB -0.260 37.568 38.000 -0.287 0.000 1.057 297 I HN 0.041 nan 8.210 nan 0.000 0.413 298 V N 0.263 119.975 119.914 -0.338 0.000 2.287 298 V HA -0.295 3.825 4.120 -0.001 0.000 0.248 298 V C 2.548 178.439 176.094 -0.339 0.000 1.053 298 V CA 2.206 64.155 62.300 -0.586 0.000 1.027 298 V CB -0.628 30.466 31.823 -1.215 0.000 0.646 298 V HN 0.385 nan 8.190 nan 0.000 0.447 299 S N -1.393 114.372 115.700 0.108 0.000 2.359 299 S HA -0.245 4.224 4.470 -0.001 0.000 0.224 299 S C 1.831 176.568 174.600 0.228 0.000 1.035 299 S CA 1.666 60.118 58.200 0.421 0.000 1.018 299 S CB -0.513 63.050 63.200 0.605 0.000 0.876 299 S HN 0.694 nan 8.310 nan 0.000 0.448 300 H N -0.070 118.996 119.070 -0.006 0.000 2.319 300 H HA -0.053 4.502 4.556 -0.001 0.000 0.299 300 H C 2.239 177.328 175.328 -0.398 0.000 1.092 300 H CA 1.573 57.555 56.048 -0.109 0.000 1.302 300 H CB -0.184 29.527 29.762 -0.086 0.000 1.373 300 H HN 0.209 nan 8.280 nan 0.000 0.497 301 V N 1.462 121.057 119.914 -0.532 0.000 2.307 301 V HA -0.230 3.890 4.120 -0.001 0.000 0.245 301 V C 2.616 178.572 176.094 -0.229 0.000 1.045 301 V CA 1.281 63.175 62.300 -0.676 0.000 1.024 301 V CB -0.326 31.077 31.823 -0.700 0.000 0.651 301 V HN 0.364 nan 8.190 nan 0.000 0.449 302 I N 0.462 120.929 120.570 -0.171 0.000 2.202 302 I HA -0.217 3.952 4.170 -0.001 0.000 0.242 302 I C 2.774 178.888 176.117 -0.006 0.000 1.091 302 I CA 1.710 62.975 61.300 -0.058 0.000 1.368 302 I CB -1.176 36.803 38.000 -0.034 0.000 1.058 302 I HN 0.324 nan 8.210 nan 0.000 0.410 303 A N 0.810 123.634 122.820 0.007 0.000 1.892 303 A HA -0.244 4.076 4.320 -0.001 0.000 0.218 303 A C 2.427 179.968 177.584 -0.072 0.000 1.188 303 A CA 2.720 54.761 52.037 0.007 0.000 0.631 303 A CB -1.134 17.884 19.000 0.030 0.000 0.822 303 A HN 0.405 nan 8.150 nan 0.000 0.447 304 T N -0.961 113.497 114.554 -0.161 0.000 2.674 304 T HA -0.076 4.274 4.350 -0.001 0.000 0.265 304 T C 1.374 175.793 174.700 -0.469 0.000 1.039 304 T CA 1.709 63.599 62.100 -0.350 0.000 1.150 304 T CB -0.376 68.168 68.868 -0.539 0.000 0.864 304 T HN 0.436 nan 8.240 nan 0.000 0.427 305 F N 0.734 120.559 119.950 -0.209 0.000 2.743 305 F HA 0.409 4.935 4.527 -0.001 0.000 0.297 305 F C 2.224 177.932 175.800 -0.153 0.000 1.131 305 F CA -0.080 57.799 58.000 -0.203 0.000 1.426 305 F CB -0.166 38.673 39.000 -0.269 0.000 1.116 305 F HN 0.104 nan 8.300 nan 0.000 0.583 306 A N -0.098 122.714 122.820 -0.013 0.000 2.251 306 A HA 0.057 4.377 4.320 -0.001 0.000 0.209 306 A C 1.134 178.626 177.584 -0.154 0.000 1.187 306 A CA -0.036 51.972 52.037 -0.049 0.000 0.823 306 A CB -0.535 18.461 19.000 -0.006 0.000 0.846 306 A HN 0.291 nan 8.150 nan 0.000 0.486 307 K N -0.980 119.268 120.400 -0.254 0.000 3.156 307 K HA -0.204 4.115 4.320 -0.001 0.000 0.266 307 K C -0.340 175.796 176.600 -0.774 0.000 0.966 307 K CA 1.313 57.215 56.287 -0.643 0.000 0.719 307 K CB -1.377 30.770 32.500 -0.589 0.000 1.333 307 K HN 0.640 nan 8.250 nan 0.000 0.468 308 K N 0.060 120.275 120.400 -0.308 0.000 2.542 308 K HA 0.353 4.672 4.320 -0.001 0.000 0.259 308 K C -2.950 173.666 176.600 0.026 0.000 0.932 308 K CA -2.015 54.210 56.287 -0.104 0.000 0.820 308 K CB 2.072 34.550 32.500 -0.037 0.000 1.345 308 K HN -0.303 nan 8.250 nan 0.000 0.432 309 P HA 0.088 nan 4.420 nan 0.000 0.271 309 P C -0.560 176.811 177.300 0.119 0.000 1.218 309 P CA -0.489 62.664 63.100 0.087 0.000 0.780 309 P CB 0.393 32.131 31.700 0.064 0.000 0.901 310 I N 3.239 123.894 120.570 0.142 0.000 2.662 310 I HA 0.016 4.185 4.170 -0.001 0.000 0.285 310 I C -0.114 176.122 176.117 0.199 0.000 1.161 310 I CA -0.035 61.385 61.300 0.201 0.000 1.415 310 I CB -0.702 37.437 38.000 0.232 0.000 1.385 310 I HN 0.140 nan 8.210 nan 0.000 0.552 311 F N 8.415 128.411 119.950 0.077 0.000 2.578 311 F HA 0.397 4.923 4.527 -0.001 0.000 0.381 311 F C 1.248 177.052 175.800 0.007 0.000 1.069 311 F CA 0.389 58.415 58.000 0.043 0.000 1.231 311 F CB 0.057 39.081 39.000 0.041 0.000 1.086 311 F HN 0.775 nan 8.300 nan 0.000 0.564 312 G N 6.029 114.616 108.800 -0.356 0.000 2.351 312 G HA2 -0.394 3.566 3.960 -0.001 0.000 0.297 312 G HA3 -0.394 3.566 3.960 -0.001 0.000 0.297 312 G C 0.390 175.254 174.900 -0.060 0.000 1.054 312 G CA 0.460 45.432 45.100 -0.213 0.000 1.123 312 G HN 1.067 nan 8.290 nan 0.000 0.512 313 Y N 0.052 120.269 120.300 -0.138 0.000 2.193 313 Y HA -0.107 4.442 4.550 -0.001 0.000 0.285 313 Y C 2.380 178.184 175.900 -0.159 0.000 1.166 313 Y CA 2.496 60.544 58.100 -0.087 0.000 1.181 313 Y CB -0.126 38.312 38.460 -0.036 0.000 0.976 313 Y HN 0.401 nan 8.280 nan 0.000 0.520 314 L N 0.438 121.552 121.223 -0.181 0.000 2.023 314 L HA -0.003 4.336 4.340 -0.001 0.000 0.205 314 L C -0.582 175.929 176.870 -0.598 0.000 1.073 314 L CA 1.718 56.283 54.840 -0.458 0.000 0.745 314 L CB -1.768 40.020 42.059 -0.452 0.000 0.900 314 L HN 0.086 nan 8.230 nan 0.000 0.435 315 P HA -0.170 nan 4.420 nan 0.000 0.216 315 P C 1.956 179.131 177.300 -0.207 0.000 1.150 315 P CA 1.255 64.207 63.100 -0.247 0.000 0.837 315 P CB -0.075 31.545 31.700 -0.134 0.000 0.786 316 M N -1.090 118.360 119.600 -0.250 0.000 2.106 316 M HA -0.127 4.352 4.480 -0.001 0.000 0.259 316 M C 2.000 178.150 176.300 -0.250 0.000 1.068 316 M CA 1.658 56.801 55.300 -0.262 0.000 1.100 316 M CB -1.640 30.811 32.600 -0.249 0.000 1.351 316 M HN -0.138 nan 8.290 nan 0.000 0.404 317 V N -1.138 118.539 119.914 -0.395 0.000 2.323 317 V HA -0.256 3.864 4.120 -0.001 0.000 0.244 317 V C 2.263 178.292 176.094 -0.108 0.000 1.041 317 V CA 1.427 63.466 62.300 -0.435 0.000 1.025 317 V CB -0.864 30.431 31.823 -0.879 0.000 0.656 317 V HN 0.254 nan 8.190 nan 0.000 0.451 318 Y N 0.675 120.812 120.300 -0.271 0.000 2.293 318 Y HA -0.056 4.493 4.550 -0.001 0.000 0.291 318 Y C 2.529 178.365 175.900 -0.106 0.000 1.137 318 Y CA 0.523 58.525 58.100 -0.164 0.000 1.202 318 Y CB -1.314 37.070 38.460 -0.127 0.000 0.990 318 Y HN 0.215 nan 8.280 nan 0.000 0.537 319 A N -0.209 122.642 122.820 0.053 0.000 1.933 319 A HA -0.199 4.120 4.320 -0.001 0.000 0.218 319 A C 2.343 179.958 177.584 0.052 0.000 1.175 319 A CA 1.713 53.759 52.037 0.016 0.000 0.628 319 A CB -0.715 18.250 19.000 -0.057 0.000 0.814 319 A HN 0.392 nan 8.150 nan 0.000 0.444 320 M N -0.805 118.836 119.600 0.069 0.000 2.175 320 M HA -0.109 4.370 4.480 -0.001 0.000 0.264 320 M C 2.090 178.451 176.300 0.102 0.000 1.063 320 M CA 1.185 56.572 55.300 0.145 0.000 1.119 320 M CB -0.458 32.251 32.600 0.182 0.000 1.377 320 M HN 0.260 nan 8.290 nan 0.000 0.415 321 V N 0.508 120.451 119.914 0.048 0.000 2.307 321 V HA -0.226 3.894 4.120 -0.001 0.000 0.245 321 V C 2.678 178.768 176.094 -0.007 0.000 1.045 321 V CA 1.995 64.299 62.300 0.007 0.000 1.024 321 V CB -1.134 30.650 31.823 -0.066 0.000 0.651 321 V HN 0.496 nan 8.190 nan 0.000 0.449 322 A N 0.256 123.071 122.820 -0.010 0.000 1.877 322 A HA -0.172 4.147 4.320 -0.001 0.000 0.216 322 A C 2.144 179.715 177.584 -0.021 0.000 1.186 322 A CA 1.822 53.849 52.037 -0.017 0.000 0.620 322 A CB -0.508 18.488 19.000 -0.007 0.000 0.822 322 A HN 0.395 nan 8.150 nan 0.000 0.443 323 I N 0.126 120.697 120.570 0.002 0.000 2.163 323 I HA -0.219 3.950 4.170 -0.001 0.000 0.243 323 I C 2.733 178.768 176.117 -0.138 0.000 1.085 323 I CA 1.604 62.869 61.300 -0.058 0.000 1.347 323 I CB -2.103 35.960 38.000 0.107 0.000 1.044 323 I HN 0.354 nan 8.210 nan 0.000 0.408 324 G N 0.786 109.585 108.800 -0.001 0.000 2.476 324 G HA2 -0.192 3.767 3.960 -0.001 0.000 0.218 324 G HA3 -0.192 3.767 3.960 -0.001 0.000 0.218 324 G C 1.843 176.821 174.900 0.129 0.000 1.164 324 G CA 1.286 46.426 45.100 0.067 0.000 0.768 324 G HN 0.295 nan 8.290 nan 0.000 0.560 325 V N 0.820 120.782 119.914 0.080 0.000 2.323 325 V HA -0.059 4.061 4.120 -0.001 0.000 0.244 325 V C 2.899 179.058 176.094 0.108 0.000 1.041 325 V CA 1.354 63.720 62.300 0.110 0.000 1.025 325 V CB -0.488 31.344 31.823 0.015 0.000 0.656 325 V HN 0.324 nan 8.190 nan 0.000 0.451 326 L N 0.807 122.028 121.223 -0.005 0.000 2.127 326 L HA -0.104 4.236 4.340 -0.001 0.000 0.211 326 L C 2.501 179.295 176.870 -0.128 0.000 1.089 326 L CA 1.565 56.371 54.840 -0.056 0.000 0.757 326 L CB -1.007 40.989 42.059 -0.104 0.000 0.899 326 L HN 0.495 nan 8.230 nan 0.000 0.434 327 G N -1.174 107.485 108.800 -0.236 0.000 2.586 327 G HA2 -0.232 3.727 3.960 -0.001 0.000 0.215 327 G HA3 -0.232 3.727 3.960 -0.001 0.000 0.215 327 G C 1.107 175.858 174.900 -0.247 0.000 1.128 327 G CA 0.242 45.146 45.100 -0.326 0.000 0.774 327 G HN 0.299 nan 8.290 nan 0.000 0.543 328 F N -0.459 119.455 119.950 -0.060 0.000 2.695 328 F HA 0.195 4.721 4.527 -0.001 0.000 0.303 328 F C 1.686 177.565 175.800 0.131 0.000 1.091 328 F CA -0.010 57.933 58.000 -0.095 0.000 1.300 328 F CB 1.123 40.062 39.000 -0.103 0.000 1.071 328 F HN 0.072 nan 8.300 nan 0.000 0.578 329 V N -1.927 118.167 119.914 0.299 0.000 3.070 329 V HA 0.288 4.407 4.120 -0.001 0.000 0.345 329 V C 0.410 176.596 176.094 0.154 0.000 1.403 329 V CA 0.388 62.903 62.300 0.359 0.000 1.155 329 V CB -0.232 31.745 31.823 0.256 0.000 1.140 329 V HN 0.030 nan 8.190 nan 0.000 0.505 330 V N -4.017 115.973 119.914 0.127 0.000 3.382 330 V HA 0.288 4.407 4.120 -0.001 0.000 0.296 330 V C 1.647 177.526 176.094 -0.360 0.000 1.529 330 V CA 0.315 62.572 62.300 -0.072 0.000 1.048 330 V CB -0.595 31.085 31.823 -0.238 0.000 0.878 330 V HN 0.711 nan 8.190 nan 0.000 0.442 331 W N 2.198 123.420 121.300 -0.128 0.000 2.331 331 W HA 0.054 4.713 4.660 -0.001 0.000 0.291 331 W C 1.810 178.032 176.519 -0.494 0.000 1.214 331 W CA 1.770 58.979 57.345 -0.226 0.000 1.228 331 W CB -0.917 28.580 29.460 0.061 0.000 1.135 331 W HN 0.246 nan 8.180 nan 0.000 0.537 332 A N 1.723 123.674 122.820 -1.448 0.000 2.235 332 A HA -0.110 4.210 4.320 -0.001 0.000 0.208 332 A C 1.783 178.698 177.584 -1.115 0.000 1.172 332 A CA 1.026 52.244 52.037 -1.365 0.000 0.786 332 A CB -1.817 15.911 19.000 -2.120 0.000 0.804 332 A HN 0.793 nan 8.150 nan 0.000 0.479 333 H N -2.778 115.710 119.070 -0.971 0.000 2.561 333 H HA -0.013 4.543 4.556 -0.001 0.000 0.278 333 H C 0.759 175.320 175.328 -1.277 0.000 1.014 333 H CA 0.929 56.163 56.048 -1.357 0.000 1.211 333 H CB -0.327 28.984 29.762 -0.751 0.000 1.365 333 H HN 0.662 nan 8.280 nan 0.000 0.594 334 H N 0.479 119.126 119.070 -0.705 0.000 2.539 334 H HA 0.189 4.744 4.556 -0.001 0.000 0.267 334 H C 0.604 175.522 175.328 -0.684 0.000 0.982 334 H CA 0.347 55.891 56.048 -0.842 0.000 1.146 334 H CB 0.456 29.113 29.762 -1.842 0.000 1.382 334 H HN 0.505 nan 8.280 nan 0.000 0.577 335 M N -0.708 118.549 119.600 -0.570 0.000 2.625 335 M HA 0.093 4.572 4.480 -0.001 0.000 0.396 335 M C 0.389 176.534 176.300 -0.259 0.000 1.174 335 M CA -0.219 54.866 55.300 -0.358 0.000 0.898 335 M CB 0.619 33.031 32.600 -0.313 0.000 1.450 335 M HN -0.063 nan 8.290 nan 0.000 0.522 336 Y N 1.111 121.247 120.300 -0.273 0.000 2.256 336 Y HA -0.164 4.385 4.550 -0.001 0.000 0.288 336 Y C 2.823 178.631 175.900 -0.153 0.000 1.155 336 Y CA 1.921 59.908 58.100 -0.188 0.000 1.203 336 Y CB -0.960 37.403 38.460 -0.161 0.000 0.980 336 Y HN 0.388 nan 8.280 nan 0.000 0.530 337 T N -3.812 110.704 114.554 -0.063 0.000 3.105 337 T HA 0.447 4.796 4.350 -0.001 0.000 0.253 337 T C 1.475 176.175 174.700 -0.000 0.000 1.047 337 T CA 0.313 62.400 62.100 -0.023 0.000 0.944 337 T CB -0.141 68.728 68.868 0.001 0.000 1.016 337 T HN 0.175 nan 8.240 nan 0.000 0.544 338 A N 0.801 123.607 122.820 -0.023 0.000 2.278 338 A HA 0.662 4.982 4.320 -0.001 0.000 0.212 338 A C 1.679 179.280 177.584 0.027 0.000 1.213 338 A CA 0.106 52.149 52.037 0.011 0.000 0.840 338 A CB -0.884 18.105 19.000 -0.018 0.000 0.866 338 A HN 1.374 nan 8.150 nan 0.000 0.489 339 G N -0.796 108.026 108.800 0.037 0.000 2.173 339 G HA2 -0.130 3.829 3.960 -0.001 0.000 0.174 339 G HA3 -0.130 3.829 3.960 -0.001 0.000 0.174 339 G C -0.177 174.765 174.900 0.070 0.000 1.025 339 G CA -0.150 44.982 45.100 0.054 0.000 0.706 339 G HN 0.333 nan 8.290 nan 0.000 0.499 340 L N 1.564 122.829 121.223 0.070 0.000 2.375 340 L HA 0.569 4.909 4.340 -0.001 0.000 0.271 340 L C 1.593 178.522 176.870 0.098 0.000 1.107 340 L CA -0.098 54.802 54.840 0.100 0.000 0.806 340 L CB 1.385 43.505 42.059 0.102 0.000 1.146 340 L HN 0.519 nan 8.230 nan 0.000 0.447 341 S N 1.883 117.650 115.700 0.111 0.000 2.589 341 S HA 0.033 4.502 4.470 -0.001 0.000 0.265 341 S C 0.880 175.532 174.600 0.087 0.000 1.342 341 S CA -0.567 57.686 58.200 0.089 0.000 1.005 341 S CB 0.919 64.171 63.200 0.087 0.000 0.909 341 S HN 0.565 nan 8.310 nan 0.000 0.555 342 L N 2.240 123.498 121.223 0.058 0.000 2.042 342 L HA -0.024 4.315 4.340 -0.001 0.000 0.210 342 L C 2.471 179.377 176.870 0.059 0.000 1.076 342 L CA 2.379 57.244 54.840 0.042 0.000 0.749 342 L CB -1.681 40.391 42.059 0.022 0.000 0.893 342 L HN 0.982 nan 8.230 nan 0.000 0.432 343 T N -0.649 113.946 114.554 0.069 0.000 2.674 343 T HA -0.233 4.116 4.350 -0.001 0.000 0.265 343 T C 1.795 176.578 174.700 0.137 0.000 1.039 343 T CA 1.881 64.027 62.100 0.077 0.000 1.150 343 T CB -0.231 68.671 68.868 0.057 0.000 0.864 343 T HN 0.485 nan 8.240 nan 0.000 0.427 344 Q N 0.755 120.663 119.800 0.181 0.000 2.045 344 Q HA -0.195 4.144 4.340 -0.001 0.000 0.206 344 Q C 2.631 178.886 176.000 0.424 0.000 0.991 344 Q CA 1.556 57.557 55.803 0.330 0.000 0.851 344 Q CB -0.263 28.668 28.738 0.322 0.000 0.911 344 Q HN 0.600 nan 8.270 nan 0.000 0.418 345 Q N -0.044 119.921 119.800 0.275 0.000 2.077 345 Q HA -0.180 4.160 4.340 -0.001 0.000 0.206 345 Q C 2.343 178.440 176.000 0.161 0.000 0.989 345 Q CA 1.619 57.568 55.803 0.243 0.000 0.853 345 Q CB -0.075 28.699 28.738 0.061 0.000 0.907 345 Q HN 0.246 nan 8.270 nan 0.000 0.418 346 S N 0.006 115.764 115.700 0.097 0.000 2.353 346 S HA -0.201 4.269 4.470 -0.001 0.000 0.222 346 S C 1.612 176.241 174.600 0.049 0.000 1.035 346 S CA 1.473 59.698 58.200 0.042 0.000 1.025 346 S CB -0.493 62.728 63.200 0.036 0.000 0.902 346 S HN 0.478 nan 8.310 nan 0.000 0.440 347 Y N 1.553 121.843 120.300 -0.017 0.000 2.070 347 Y HA -0.190 4.360 4.550 -0.001 0.000 0.280 347 Y C 1.847 177.655 175.900 -0.153 0.000 1.148 347 Y CA 1.474 59.492 58.100 -0.137 0.000 1.125 347 Y CB -0.870 37.423 38.460 -0.278 0.000 0.975 347 Y HN 0.199 nan 8.280 nan 0.000 0.492 348 F N 0.161 119.876 119.950 -0.391 0.000 2.171 348 F HA -0.260 4.266 4.527 -0.001 0.000 0.300 348 F C 2.769 178.421 175.800 -0.246 0.000 1.090 348 F CA 1.886 59.590 58.000 -0.495 0.000 1.293 348 F CB -0.673 38.190 39.000 -0.228 0.000 1.013 348 F HN 0.208 nan 8.300 nan 0.000 0.486 349 M N -0.389 119.282 119.600 0.118 0.000 2.065 349 M HA -0.293 4.187 4.480 -0.001 0.000 0.259 349 M C 2.138 178.396 176.300 -0.070 0.000 1.069 349 M CA 1.941 57.281 55.300 0.067 0.000 1.110 349 M CB -0.189 32.391 32.600 -0.034 0.000 1.328 349 M HN 0.164 nan 8.290 nan 0.000 0.405 350 M N -0.364 119.144 119.600 -0.154 0.000 2.156 350 M HA -0.081 4.398 4.480 -0.001 0.000 0.264 350 M C 2.388 178.567 176.300 -0.201 0.000 1.067 350 M CA 1.512 56.722 55.300 -0.150 0.000 1.131 350 M CB -0.611 31.921 32.600 -0.114 0.000 1.368 350 M HN 0.523 nan 8.290 nan 0.000 0.416 351 A N 0.023 122.605 122.820 -0.396 0.000 1.933 351 A HA -0.148 4.171 4.320 -0.001 0.000 0.218 351 A C 2.186 179.647 177.584 -0.205 0.000 1.175 351 A CA 2.211 54.028 52.037 -0.367 0.000 0.628 351 A CB -1.117 17.457 19.000 -0.708 0.000 0.814 351 A HN 0.445 nan 8.150 nan 0.000 0.444 352 T N -0.126 114.337 114.554 -0.152 0.000 2.746 352 T HA -0.130 4.219 4.350 -0.001 0.000 0.267 352 T C 1.924 176.599 174.700 -0.042 0.000 1.039 352 T CA 1.703 63.780 62.100 -0.039 0.000 1.142 352 T CB -0.297 68.617 68.868 0.077 0.000 0.866 352 T HN 0.455 nan 8.240 nan 0.000 0.444 353 M N 0.626 120.193 119.600 -0.054 0.000 2.149 353 M HA -0.110 4.369 4.480 -0.001 0.000 0.261 353 M C 2.366 178.647 176.300 -0.032 0.000 1.064 353 M CA 1.207 56.481 55.300 -0.042 0.000 1.102 353 M CB -0.582 31.990 32.600 -0.047 0.000 1.369 353 M HN 0.099 nan 8.290 nan 0.000 0.408 354 V N 0.612 120.500 119.914 -0.044 0.000 2.453 354 V HA -0.288 3.831 4.120 -0.001 0.000 0.252 354 V C 2.087 178.170 176.094 -0.018 0.000 1.068 354 V CA 1.736 64.017 62.300 -0.032 0.000 1.070 354 V CB -0.731 31.065 31.823 -0.045 0.000 0.664 354 V HN 0.466 nan 8.190 nan 0.000 0.461 355 I N 0.455 121.014 120.570 -0.018 0.000 2.567 355 I HA -0.219 3.950 4.170 -0.001 0.000 0.257 355 I C 2.526 178.674 176.117 0.052 0.000 1.184 355 I CA 1.163 62.468 61.300 0.008 0.000 1.451 355 I CB -0.452 37.554 38.000 0.009 0.000 1.089 355 I HN 0.288 nan 8.210 nan 0.000 0.441 356 A N 0.230 123.072 122.820 0.035 0.000 2.024 356 A HA -0.138 4.182 4.320 -0.001 0.000 0.220 356 A C 2.361 179.958 177.584 0.022 0.000 1.164 356 A CA 1.639 53.696 52.037 0.033 0.000 0.643 356 A CB -0.710 18.297 19.000 0.012 0.000 0.806 356 A HN 0.264 nan 8.150 nan 0.000 0.451 357 V N 0.972 120.897 119.914 0.019 0.000 2.239 357 V HA -0.126 3.993 4.120 -0.001 0.000 0.242 357 V C 0.021 176.121 176.094 0.010 0.000 1.038 357 V CA 2.085 64.398 62.300 0.021 0.000 1.002 357 V CB -1.751 30.084 31.823 0.020 0.000 0.641 357 V HN 0.420 nan 8.190 nan 0.000 0.449 358 P HA -0.138 nan 4.420 nan 0.000 0.216 358 P C 1.666 178.948 177.300 -0.031 0.000 1.150 358 P CA 1.727 64.825 63.100 -0.004 0.000 0.837 358 P CB -0.260 31.449 31.700 0.015 0.000 0.786 359 T N -0.218 114.348 114.554 0.021 0.000 2.746 359 T HA -0.080 4.270 4.350 -0.001 0.000 0.267 359 T C 2.174 176.797 174.700 -0.127 0.000 1.039 359 T CA 1.812 63.929 62.100 0.028 0.000 1.142 359 T CB -1.242 67.766 68.868 0.234 0.000 0.866 359 T HN 0.202 nan 8.240 nan 0.000 0.444 360 G N 1.953 110.658 108.800 -0.157 0.000 2.440 360 G HA2 -0.198 3.761 3.960 -0.001 0.000 0.218 360 G HA3 -0.198 3.761 3.960 -0.001 0.000 0.218 360 G C 1.418 176.058 174.900 -0.433 0.000 1.154 360 G CA 0.608 45.464 45.100 -0.408 0.000 0.767 360 G HN 0.347 nan 8.290 nan 0.000 0.552 361 I N 1.357 121.836 120.570 -0.151 0.000 2.151 361 I HA -0.162 4.008 4.170 -0.001 0.000 0.243 361 I C 2.642 178.613 176.117 -0.244 0.000 1.080 361 I CA 1.108 62.361 61.300 -0.078 0.000 1.339 361 I CB -0.958 37.008 38.000 -0.057 0.000 1.039 361 I HN 0.228 nan 8.210 nan 0.000 0.409 362 K N -0.023 120.120 120.400 -0.429 0.000 2.026 362 K HA -0.139 4.180 4.320 -0.001 0.000 0.208 362 K C 2.100 178.189 176.600 -0.851 0.000 1.048 362 K CA 1.156 56.923 56.287 -0.867 0.000 0.929 362 K CB -0.155 31.673 32.500 -1.120 0.000 0.713 362 K HN 0.228 nan 8.250 nan 0.000 0.439 363 I N 0.608 120.924 120.570 -0.423 0.000 2.179 363 I HA -0.231 3.938 4.170 -0.001 0.000 0.242 363 I C 2.255 178.363 176.117 -0.015 0.000 1.088 363 I CA 1.558 62.831 61.300 -0.046 0.000 1.357 363 I CB -0.876 37.020 38.000 -0.174 0.000 1.051 363 I HN 0.012 nan 8.210 nan 0.000 0.409 364 F N 1.420 121.342 119.950 -0.046 0.000 2.146 364 F HA -0.119 4.407 4.527 -0.001 0.000 0.298 364 F C 2.861 178.546 175.800 -0.192 0.000 1.096 364 F CA 0.935 58.872 58.000 -0.105 0.000 1.275 364 F CB -1.498 37.419 39.000 -0.140 0.000 1.008 364 F HN -0.001 nan 8.300 nan 0.000 0.480 365 S N -1.121 114.538 115.700 -0.069 0.000 2.399 365 S HA -0.176 4.294 4.470 -0.001 0.000 0.231 365 S C 1.860 176.449 174.600 -0.019 0.000 1.022 365 S CA 0.837 58.956 58.200 -0.134 0.000 0.983 365 S CB -0.393 62.749 63.200 -0.097 0.000 0.803 365 S HN 0.387 nan 8.310 nan 0.000 0.480 366 W N 1.547 122.862 121.300 0.026 0.000 2.418 366 W HA 0.160 4.819 4.660 -0.001 0.000 0.292 366 W C 1.954 178.507 176.519 0.056 0.000 1.213 366 W CA 0.015 57.386 57.345 0.042 0.000 1.283 366 W CB -0.936 28.543 29.460 0.031 0.000 1.119 366 W HN 0.310 nan 8.180 nan 0.000 0.542 367 I N 0.288 121.022 120.570 0.274 0.000 2.252 367 I HA -0.241 3.928 4.170 -0.001 0.000 0.245 367 I C 2.526 178.737 176.117 0.156 0.000 1.102 367 I CA 1.469 62.899 61.300 0.216 0.000 1.385 367 I CB -0.883 37.243 38.000 0.210 0.000 1.064 367 I HN -0.204 nan 8.210 nan 0.000 0.414 368 A N 0.173 122.970 122.820 -0.038 0.000 2.067 368 A HA -0.159 4.161 4.320 -0.001 0.000 0.219 368 A C 2.311 179.930 177.584 0.058 0.000 1.158 368 A CA 2.037 53.948 52.037 -0.211 0.000 0.661 368 A CB -0.889 17.526 19.000 -0.975 0.000 0.801 368 A HN 0.378 nan 8.150 nan 0.000 0.452 369 T N -0.072 114.579 114.554 0.161 0.000 2.904 369 T HA -0.062 4.287 4.350 -0.001 0.000 0.267 369 T C 1.871 176.683 174.700 0.187 0.000 1.059 369 T CA 1.576 63.818 62.100 0.237 0.000 1.137 369 T CB -0.245 68.780 68.868 0.261 0.000 0.879 369 T HN 0.481 nan 8.240 nan 0.000 0.467 370 M N -0.619 119.093 119.600 0.188 0.000 2.236 370 M HA 0.065 4.545 4.480 -0.001 0.000 0.266 370 M C 0.968 177.356 176.300 0.146 0.000 1.070 370 M CA 0.444 55.827 55.300 0.139 0.000 1.137 370 M CB -0.047 32.635 32.600 0.137 0.000 1.378 370 M HN 0.292 nan 8.290 nan 0.000 0.426 371 W N 2.044 123.350 121.300 0.012 0.000 2.347 371 W HA 0.064 4.724 4.660 -0.001 0.000 0.333 371 W C 0.914 177.441 176.519 0.014 0.000 1.383 371 W CA 1.824 59.170 57.345 0.002 0.000 1.283 371 W CB 0.165 29.613 29.460 -0.020 0.000 1.253 371 W HN 0.625 nan 8.180 nan 0.000 0.563 372 G N 3.571 112.295 108.800 -0.128 0.000 2.184 372 G HA2 -0.259 3.700 3.960 -0.001 0.000 0.264 372 G HA3 -0.259 3.700 3.960 -0.001 0.000 0.264 372 G C 0.372 175.250 174.900 -0.037 0.000 0.975 372 G CA 0.120 45.191 45.100 -0.048 0.000 0.642 372 G HN 0.927 nan 8.290 nan 0.000 0.536 373 G N -0.806 107.967 108.800 -0.046 0.000 2.525 373 G HA2 0.543 4.502 3.960 -0.001 0.000 0.287 373 G HA3 0.543 4.502 3.960 -0.001 0.000 0.287 373 G C 0.225 175.076 174.900 -0.080 0.000 1.350 373 G CA 0.690 45.756 45.100 -0.057 0.000 1.039 373 G HN 1.173 nan 8.290 nan 0.000 0.513 374 S N -0.401 115.247 115.700 -0.088 0.000 2.399 374 S HA 0.414 4.884 4.470 -0.001 0.000 0.215 374 S C -0.258 174.309 174.600 -0.054 0.000 1.456 374 S CA -0.607 57.550 58.200 -0.072 0.000 1.199 374 S CB -0.460 62.698 63.200 -0.070 0.000 1.063 374 S HN 0.363 nan 8.310 nan 0.000 0.476 375 I N 3.356 123.899 120.570 -0.045 0.000 2.396 375 I HA 0.279 4.449 4.170 -0.001 0.000 0.289 375 I C 0.552 176.667 176.117 -0.005 0.000 1.056 375 I CA -0.056 61.229 61.300 -0.026 0.000 1.365 375 I CB 0.891 38.866 38.000 -0.042 0.000 1.407 375 I HN 0.522 nan 8.210 nan 0.000 0.509 376 E N 6.899 127.124 120.200 0.043 0.000 2.133 376 E HA 0.313 4.663 4.350 -0.001 0.000 0.274 376 E C -0.567 176.023 176.600 -0.017 0.000 0.930 376 E CA -0.630 55.813 56.400 0.071 0.000 0.770 376 E CB 1.086 30.907 29.700 0.201 0.000 1.104 376 E HN 0.568 nan 8.360 nan 0.000 0.403 377 L N 5.417 126.597 121.223 -0.072 0.000 2.727 377 L HA 0.167 4.506 4.340 -0.001 0.000 0.237 377 L C 0.257 176.988 176.870 -0.233 0.000 1.370 377 L CA -0.212 54.520 54.840 -0.180 0.000 1.248 377 L CB -0.515 41.464 42.059 -0.134 0.000 1.556 377 L HN 0.198 nan 8.230 nan 0.000 0.420 378 K N -0.180 120.019 120.400 -0.336 0.000 2.138 378 K HA 0.187 4.506 4.320 -0.001 0.000 0.251 378 K C 1.393 177.695 176.600 -0.497 0.000 1.015 378 K CA -0.197 55.893 56.287 -0.329 0.000 0.917 378 K CB 0.852 33.145 32.500 -0.344 0.000 1.021 378 K HN 0.044 nan 8.250 nan 0.000 0.485 379 T N 2.677 117.056 114.554 -0.290 0.000 2.620 379 T HA -0.153 4.197 4.350 -0.001 0.000 0.267 379 T C -1.053 173.378 174.700 -0.448 0.000 1.044 379 T CA 1.923 63.762 62.100 -0.435 0.000 1.161 379 T CB -0.818 67.804 68.868 -0.410 0.000 0.862 379 T HN 0.476 nan 8.240 nan 0.000 0.438 380 P HA -0.042 nan 4.420 nan 0.000 0.216 380 P C 1.557 178.571 177.300 -0.477 0.000 1.150 380 P CA 0.916 63.855 63.100 -0.267 0.000 0.837 380 P CB -0.117 31.401 31.700 -0.304 0.000 0.786 381 M N -1.087 118.009 119.600 -0.839 0.000 2.175 381 M HA -0.077 4.403 4.480 -0.001 0.000 0.264 381 M C 1.823 177.795 176.300 -0.546 0.000 1.063 381 M CA 1.677 56.589 55.300 -0.646 0.000 1.119 381 M CB -1.388 30.803 32.600 -0.681 0.000 1.377 381 M HN -0.189 nan 8.290 nan 0.000 0.415 382 L N -1.829 118.928 121.223 -0.777 0.000 2.017 382 L HA -0.224 4.116 4.340 -0.001 0.000 0.208 382 L C 2.205 178.441 176.870 -1.057 0.000 1.073 382 L CA 1.564 55.659 54.840 -1.241 0.000 0.745 382 L CB -0.877 39.970 42.059 -2.019 0.000 0.894 382 L HN 0.411 nan 8.230 nan 0.000 0.432 383 W N -0.275 120.680 121.300 -0.575 0.000 2.338 383 W HA -0.212 4.448 4.660 -0.001 0.000 0.304 383 W C 2.707 179.276 176.519 0.083 0.000 1.212 383 W CA 0.964 58.249 57.345 -0.100 0.000 1.264 383 W CB -0.341 29.054 29.460 -0.108 0.000 1.142 383 W HN 0.109 nan 8.180 nan 0.000 0.512 384 A N -0.149 122.720 122.820 0.081 0.000 1.929 384 A HA -0.100 4.219 4.320 -0.001 0.000 0.216 384 A C 1.914 179.536 177.584 0.062 0.000 1.176 384 A CA 1.183 53.213 52.037 -0.012 0.000 0.628 384 A CB -0.876 17.986 19.000 -0.231 0.000 0.816 384 A HN 0.292 nan 8.150 nan 0.000 0.444 385 L N -0.819 120.403 121.223 -0.003 0.000 2.109 385 L HA -0.053 4.287 4.340 -0.001 0.000 0.207 385 L C 2.810 179.811 176.870 0.219 0.000 1.086 385 L CA 0.895 55.765 54.840 0.050 0.000 0.760 385 L CB -0.803 41.209 42.059 -0.078 0.000 0.910 385 L HN 0.471 nan 8.230 nan 0.000 0.437 386 G N 0.077 109.071 108.800 0.323 0.000 2.440 386 G HA2 -0.346 3.614 3.960 -0.001 0.000 0.218 386 G HA3 -0.346 3.614 3.960 -0.001 0.000 0.218 386 G C 1.504 176.714 174.900 0.518 0.000 1.154 386 G CA 0.692 46.165 45.100 0.621 0.000 0.767 386 G HN 0.304 nan 8.290 nan 0.000 0.552 387 F N 1.408 121.580 119.950 0.371 0.000 2.091 387 F HA -0.098 4.428 4.527 -0.001 0.000 0.299 387 F C 2.471 178.369 175.800 0.164 0.000 1.103 387 F CA 1.468 59.588 58.000 0.200 0.000 1.228 387 F CB -0.266 38.803 39.000 0.115 0.000 0.984 387 F HN 0.065 nan 8.300 nan 0.000 0.477 388 L N -0.999 120.432 121.223 0.347 0.000 2.042 388 L HA -0.231 4.109 4.340 -0.001 0.000 0.210 388 L C 2.456 179.463 176.870 0.228 0.000 1.076 388 L CA 1.680 56.683 54.840 0.272 0.000 0.749 388 L CB -1.007 41.216 42.059 0.274 0.000 0.893 388 L HN 0.288 nan 8.230 nan 0.000 0.432 389 F N 0.717 120.742 119.950 0.125 0.000 2.098 389 F HA -0.141 4.385 4.527 -0.001 0.000 0.294 389 F C 2.135 177.977 175.800 0.069 0.000 1.107 389 F CA 1.463 59.535 58.000 0.120 0.000 1.234 389 F CB -0.280 38.831 39.000 0.186 0.000 1.002 389 F HN -0.158 nan 8.300 nan 0.000 0.472 390 L N -1.213 119.913 121.223 -0.162 0.000 2.109 390 L HA -0.126 4.214 4.340 -0.001 0.000 0.207 390 L C 2.405 179.134 176.870 -0.236 0.000 1.086 390 L CA 1.100 55.761 54.840 -0.297 0.000 0.760 390 L CB -0.901 41.003 42.059 -0.259 0.000 0.910 390 L HN 0.187 nan 8.230 nan 0.000 0.437 391 F N 0.906 120.582 119.950 -0.456 0.000 2.216 391 F HA -0.206 4.321 4.527 -0.001 0.000 0.300 391 F C 2.402 178.050 175.800 -0.253 0.000 1.085 391 F CA 1.696 59.422 58.000 -0.457 0.000 1.326 391 F CB -0.248 38.214 39.000 -0.896 0.000 1.027 391 F HN -0.072 nan 8.300 nan 0.000 0.497 392 T N 0.006 114.472 114.554 -0.146 0.000 2.708 392 T HA -0.166 4.183 4.350 -0.001 0.000 0.266 392 T C 2.185 176.716 174.700 -0.282 0.000 1.037 392 T CA 1.643 63.647 62.100 -0.160 0.000 1.146 392 T CB -0.642 68.206 68.868 -0.033 0.000 0.865 392 T HN 0.102 nan 8.240 nan 0.000 0.435 393 V N 1.472 121.157 119.914 -0.382 0.000 2.252 393 V HA -0.185 3.934 4.120 -0.001 0.000 0.249 393 V C 2.859 178.693 176.094 -0.432 0.000 1.056 393 V CA 2.171 64.191 62.300 -0.467 0.000 1.022 393 V CB -1.396 30.009 31.823 -0.697 0.000 0.641 393 V HN 0.613 nan 8.190 nan 0.000 0.445 394 G N -0.355 108.214 108.800 -0.385 0.000 2.418 394 G HA2 -0.135 3.825 3.960 -0.001 0.000 0.217 394 G HA3 -0.135 3.825 3.960 -0.001 0.000 0.217 394 G C 1.611 176.367 174.900 -0.240 0.000 1.158 394 G CA 0.911 45.839 45.100 -0.286 0.000 0.771 394 G HN 0.610 nan 8.290 nan 0.000 0.545 395 G N 0.075 108.595 108.800 -0.467 0.000 2.408 395 G HA2 -0.106 3.854 3.960 -0.001 0.000 0.217 395 G HA3 -0.106 3.854 3.960 -0.001 0.000 0.217 395 G C 1.709 176.485 174.900 -0.207 0.000 1.150 395 G CA 0.996 45.864 45.100 -0.387 0.000 0.776 395 G HN 0.315 nan 8.290 nan 0.000 0.542 396 V N 0.413 120.205 119.914 -0.204 0.000 2.548 396 V HA -0.102 4.017 4.120 -0.001 0.000 0.249 396 V C 3.101 179.108 176.094 -0.144 0.000 1.055 396 V CA 2.271 64.481 62.300 -0.149 0.000 1.065 396 V CB -0.244 31.493 31.823 -0.143 0.000 0.681 396 V HN 0.372 nan 8.190 nan 0.000 0.462 397 T N -0.344 114.104 114.554 -0.177 0.000 2.904 397 T HA -0.053 4.296 4.350 -0.001 0.000 0.267 397 T C 1.801 176.336 174.700 -0.274 0.000 1.059 397 T CA 1.232 63.231 62.100 -0.169 0.000 1.137 397 T CB -0.399 68.321 68.868 -0.246 0.000 0.879 397 T HN 0.626 nan 8.240 nan 0.000 0.467 398 G N 1.931 110.472 108.800 -0.431 0.000 2.476 398 G HA2 -0.190 3.769 3.960 -0.001 0.000 0.218 398 G HA3 -0.190 3.769 3.960 -0.001 0.000 0.218 398 G C 1.444 176.142 174.900 -0.336 0.000 1.164 398 G CA 0.566 45.264 45.100 -0.670 0.000 0.768 398 G HN 0.412 nan 8.290 nan 0.000 0.560 399 I N 0.854 121.311 120.570 -0.188 0.000 2.315 399 I HA -0.097 4.073 4.170 -0.001 0.000 0.248 399 I C 2.969 179.036 176.117 -0.083 0.000 1.117 399 I CA 0.630 61.862 61.300 -0.114 0.000 1.404 399 I CB -0.918 37.037 38.000 -0.074 0.000 1.071 399 I HN 0.040 nan 8.210 nan 0.000 0.419 400 V N 1.288 121.167 119.914 -0.059 0.000 2.287 400 V HA -0.282 3.838 4.120 -0.001 0.000 0.248 400 V C 2.568 178.671 176.094 0.015 0.000 1.053 400 V CA 1.660 63.962 62.300 0.004 0.000 1.027 400 V CB -0.651 31.220 31.823 0.081 0.000 0.646 400 V HN 0.335 nan 8.190 nan 0.000 0.447 401 L N 0.956 122.166 121.223 -0.021 0.000 2.191 401 L HA -0.138 4.201 4.340 -0.001 0.000 0.212 401 L C 2.655 179.533 176.870 0.014 0.000 1.103 401 L CA 1.557 56.396 54.840 -0.002 0.000 0.769 401 L CB -0.707 41.278 42.059 -0.124 0.000 0.908 401 L HN 0.566 nan 8.230 nan 0.000 0.438 402 S N -1.403 114.265 115.700 -0.054 0.000 2.419 402 S HA -0.132 4.337 4.470 -0.001 0.000 0.233 402 S C 1.132 175.764 174.600 0.053 0.000 1.016 402 S CA 0.457 58.674 58.200 0.028 0.000 0.974 402 S CB -0.289 62.883 63.200 -0.046 0.000 0.786 402 S HN 0.331 nan 8.310 nan 0.000 0.492 403 Q N 1.506 121.284 119.800 -0.036 0.000 2.431 403 Q HA 0.472 4.811 4.340 -0.001 0.000 0.234 403 Q C 1.313 177.175 176.000 -0.229 0.000 1.203 403 Q CA 0.408 56.139 55.803 -0.120 0.000 0.902 403 Q CB 0.340 29.027 28.738 -0.084 0.000 1.455 403 Q HN 0.518 nan 8.270 nan 0.000 0.515 404 A N 2.786 125.285 122.820 -0.536 0.000 1.958 404 A HA -0.286 4.034 4.320 -0.001 0.000 0.221 404 A C 2.140 179.504 177.584 -0.365 0.000 1.178 404 A CA 2.345 53.871 52.037 -0.851 0.000 0.642 404 A CB -0.337 17.899 19.000 -1.274 0.000 0.816 404 A HN 0.701 nan 8.150 nan 0.000 0.453 405 S N -0.923 114.627 115.700 -0.250 0.000 2.423 405 S HA -0.048 4.421 4.470 -0.001 0.000 0.231 405 S C 1.591 176.110 174.600 -0.135 0.000 1.014 405 S CA 1.314 59.419 58.200 -0.159 0.000 0.965 405 S CB -0.513 62.608 63.200 -0.131 0.000 0.785 405 S HN 0.293 nan 8.310 nan 0.000 0.495 406 V N 1.930 121.760 119.914 -0.140 0.000 2.725 406 V HA 0.001 4.121 4.120 -0.001 0.000 0.247 406 V C 2.375 178.402 176.094 -0.111 0.000 1.058 406 V CA 1.501 63.699 62.300 -0.169 0.000 1.080 406 V CB -0.809 30.928 31.823 -0.143 0.000 0.713 406 V HN 0.449 nan 8.190 nan 0.000 0.465 407 D N 0.432 120.832 120.400 -0.001 0.000 2.221 407 D HA -0.226 4.413 4.640 -0.001 0.000 0.204 407 D C 2.177 178.554 176.300 0.129 0.000 0.982 407 D CA 0.997 55.079 54.000 0.137 0.000 0.857 407 D CB -0.027 40.911 40.800 0.229 0.000 0.934 407 D HN 0.166 nan 8.370 nan 0.000 0.475 408 R N -1.001 119.519 120.500 0.033 0.000 2.113 408 R HA -0.228 4.112 4.340 -0.001 0.000 0.244 408 R C 2.010 178.348 176.300 0.062 0.000 1.142 408 R CA 1.639 57.763 56.100 0.041 0.000 0.953 408 R CB -0.881 29.416 30.300 -0.005 0.000 0.860 408 R HN 0.385 nan 8.270 nan 0.000 0.438 409 Y N -1.371 118.849 120.300 -0.134 0.000 2.243 409 Y HA -0.110 4.440 4.550 -0.001 0.000 0.293 409 Y C 1.362 177.208 175.900 -0.090 0.000 1.124 409 Y CA 1.375 59.365 58.100 -0.183 0.000 1.159 409 Y CB -0.072 38.152 38.460 -0.393 0.000 1.008 409 Y HN 0.082 nan 8.280 nan 0.000 0.527 410 Y N -0.872 119.542 120.300 0.189 0.000 2.420 410 Y HA 0.006 4.555 4.550 -0.001 0.000 0.292 410 Y C 0.954 176.913 175.900 0.097 0.000 1.119 410 Y CA 0.610 58.780 58.100 0.117 0.000 1.229 410 Y CB -1.279 37.168 38.460 -0.023 0.000 1.026 410 Y HN 0.097 nan 8.280 nan 0.000 0.554 411 H N 1.637 120.819 119.070 0.186 0.000 3.001 411 H HA -0.013 4.542 4.556 -0.001 0.000 0.334 411 H C 0.580 175.959 175.328 0.085 0.000 1.034 411 H CA 0.536 56.660 56.048 0.127 0.000 1.420 411 H CB -0.007 29.818 29.762 0.104 0.000 1.405 411 H HN 0.220 nan 8.280 nan 0.000 0.593 412 D N 2.460 122.429 120.400 -0.718 0.000 2.772 412 D HA -0.200 4.440 4.640 -0.001 0.000 0.233 412 D C -0.380 175.790 176.300 -0.218 0.000 1.143 412 D CA 1.415 55.126 54.000 -0.482 0.000 0.700 412 D CB -0.861 39.649 40.800 -0.483 0.000 1.076 412 D HN 0.769 nan 8.370 nan 0.000 0.430 413 T N -4.234 110.254 114.554 -0.110 0.000 2.910 413 T HA 0.433 4.782 4.350 -0.001 0.000 0.287 413 T C 1.027 175.695 174.700 -0.054 0.000 1.050 413 T CA -0.737 61.342 62.100 -0.036 0.000 1.011 413 T CB 0.973 69.905 68.868 0.106 0.000 1.195 413 T HN -0.078 nan 8.240 nan 0.000 0.540 414 Y N -0.670 119.579 120.300 -0.085 0.000 2.574 414 Y HA 0.051 4.600 4.550 -0.001 0.000 0.294 414 Y C 2.049 177.842 175.900 -0.178 0.000 1.142 414 Y CA 0.728 58.748 58.100 -0.133 0.000 1.314 414 Y CB -0.516 37.842 38.460 -0.170 0.000 0.991 414 Y HN 0.821 nan 8.280 nan 0.000 0.555 415 Y N -0.674 119.554 120.300 -0.121 0.000 2.181 415 Y HA -0.286 4.263 4.550 -0.001 0.000 0.288 415 Y C 2.258 177.961 175.900 -0.328 0.000 1.146 415 Y CA 1.723 59.635 58.100 -0.314 0.000 1.164 415 Y CB -0.382 37.770 38.460 -0.514 0.000 0.982 415 Y HN -0.105 nan 8.280 nan 0.000 0.515 416 V N -1.103 118.787 119.914 -0.040 0.000 2.343 416 V HA -0.323 3.796 4.120 -0.001 0.000 0.247 416 V C 2.283 178.155 176.094 -0.370 0.000 1.051 416 V CA 1.729 64.007 62.300 -0.036 0.000 1.036 416 V CB -0.926 30.963 31.823 0.109 0.000 0.654 416 V HN 0.324 nan 8.190 nan 0.000 0.451 417 V N 0.495 120.063 119.914 -0.577 0.000 2.332 417 V HA -0.295 3.824 4.120 -0.001 0.000 0.248 417 V C 2.719 178.272 176.094 -0.901 0.000 1.055 417 V CA 2.125 63.762 62.300 -1.106 0.000 1.038 417 V CB -1.266 30.133 31.823 -0.706 0.000 0.651 417 V HN 0.566 nan 8.190 nan 0.000 0.450 418 A N -0.136 122.305 122.820 -0.632 0.000 1.877 418 A HA -0.291 4.028 4.320 -0.001 0.000 0.216 418 A C 2.128 179.370 177.584 -0.571 0.000 1.186 418 A CA 2.271 53.902 52.037 -0.676 0.000 0.620 418 A CB -0.866 17.321 19.000 -1.355 0.000 0.822 418 A HN 0.784 nan 8.150 nan 0.000 0.443 419 H N 0.302 118.980 119.070 -0.654 0.000 2.265 419 H HA -0.228 4.328 4.556 -0.001 0.000 0.295 419 H C 1.679 176.819 175.328 -0.313 0.000 1.084 419 H CA 2.645 58.437 56.048 -0.427 0.000 1.261 419 H CB -0.774 28.789 29.762 -0.331 0.000 1.360 419 H HN 0.596 nan 8.280 nan 0.000 0.487 420 F N -0.815 118.717 119.950 -0.697 0.000 2.259 420 F HA 0.050 4.576 4.527 -0.001 0.000 0.298 420 F C 2.025 177.367 175.800 -0.764 0.000 1.088 420 F CA 1.284 58.779 58.000 -0.842 0.000 1.358 420 F CB -1.217 37.433 39.000 -0.583 0.000 1.040 420 F HN 0.222 nan 8.300 nan 0.000 0.505 421 H N -1.646 117.011 119.070 -0.687 0.000 2.423 421 H HA -0.050 4.505 4.556 -0.001 0.000 0.297 421 H C 1.644 176.511 175.328 -0.768 0.000 1.075 421 H CA 2.053 57.570 56.048 -0.885 0.000 1.342 421 H CB -0.443 28.204 29.762 -1.858 0.000 1.395 421 H HN 0.264 nan 8.280 nan 0.000 0.530 422 Y N 0.181 120.160 120.300 -0.535 0.000 2.145 422 Y HA -0.235 4.314 4.550 -0.001 0.000 0.286 422 Y C 2.605 178.277 175.900 -0.380 0.000 1.145 422 Y CA 1.489 59.340 58.100 -0.415 0.000 1.148 422 Y CB -0.359 37.883 38.460 -0.363 0.000 0.981 422 Y HN 0.138 nan 8.280 nan 0.000 0.507 423 V N -2.894 116.845 119.914 -0.291 0.000 2.667 423 V HA -0.219 3.900 4.120 -0.001 0.000 0.252 423 V C 1.794 177.832 176.094 -0.094 0.000 1.065 423 V CA 1.674 63.847 62.300 -0.211 0.000 1.083 423 V CB -0.530 31.092 31.823 -0.336 0.000 0.692 423 V HN 0.376 nan 8.190 nan 0.000 0.468 424 M N 0.217 119.692 119.600 -0.209 0.000 2.553 424 M HA 0.084 4.564 4.480 -0.001 0.000 0.255 424 M C 2.400 178.632 176.300 -0.113 0.000 1.181 424 M CA 1.531 56.727 55.300 -0.173 0.000 1.210 424 M CB -0.043 32.396 32.600 -0.269 0.000 1.280 424 M HN 0.374 nan 8.290 nan 0.000 0.495 425 S N 0.061 115.661 115.700 -0.168 0.000 2.501 425 S HA 0.155 4.625 4.470 -0.001 0.000 0.220 425 S C 1.321 175.926 174.600 0.009 0.000 0.997 425 S CA 0.437 58.605 58.200 -0.053 0.000 0.919 425 S CB 0.236 63.404 63.200 -0.055 0.000 0.778 425 S HN 0.291 nan 8.310 nan 0.000 0.523 426 L N 0.330 121.421 121.223 -0.220 0.000 2.906 426 L HA 0.398 4.738 4.340 -0.001 0.000 0.255 426 L C 1.427 178.005 176.870 -0.487 0.000 1.166 426 L CA 0.595 55.118 54.840 -0.529 0.000 0.977 426 L CB -0.100 41.523 42.059 -0.727 0.000 1.313 426 L HN 0.411 nan 8.230 nan 0.000 0.549 427 G N -0.534 108.215 108.800 -0.086 0.000 2.446 427 G HA2 0.226 4.185 3.960 -0.001 0.000 0.202 427 G HA3 0.226 4.185 3.960 -0.001 0.000 0.202 427 G C 1.369 176.524 174.900 0.425 0.000 1.842 427 G CA 0.723 45.882 45.100 0.099 0.000 0.703 427 G HN 0.089 nan 8.290 nan 0.000 0.731 428 A N 0.099 123.085 122.820 0.277 0.000 1.948 428 A HA 0.017 4.337 4.320 -0.001 0.000 0.220 428 A C 2.519 180.187 177.584 0.140 0.000 1.177 428 A CA 2.268 54.419 52.037 0.191 0.000 0.636 428 A CB -0.830 18.191 19.000 0.035 0.000 0.815 428 A HN 0.414 nan 8.150 nan 0.000 0.449 429 V N -1.429 118.559 119.914 0.124 0.000 2.427 429 V HA -0.207 3.913 4.120 -0.001 0.000 0.248 429 V C 2.261 178.413 176.094 0.098 0.000 1.051 429 V CA 1.857 64.166 62.300 0.015 0.000 1.048 429 V CB -0.875 30.974 31.823 0.042 0.000 0.666 429 V HN 0.556 nan 8.190 nan 0.000 0.456 430 F N 1.346 121.389 119.950 0.156 0.000 2.234 430 F HA -0.007 4.520 4.527 -0.001 0.000 0.299 430 F C 2.325 178.220 175.800 0.159 0.000 1.087 430 F CA 1.107 59.304 58.000 0.328 0.000 1.340 430 F CB -1.330 38.018 39.000 0.581 0.000 1.031 430 F HN 0.195 nan 8.300 nan 0.000 0.500 431 G N 0.229 109.192 108.800 0.272 0.000 2.421 431 G HA2 -0.232 3.727 3.960 -0.001 0.000 0.216 431 G HA3 -0.232 3.727 3.960 -0.001 0.000 0.216 431 G C 1.886 176.758 174.900 -0.046 0.000 1.171 431 G CA 0.987 46.090 45.100 0.006 0.000 0.775 431 G HN 0.349 nan 8.290 nan 0.000 0.543 432 I N -0.215 120.327 120.570 -0.047 0.000 2.163 432 I HA -0.152 4.018 4.170 -0.001 0.000 0.243 432 I C 2.486 178.534 176.117 -0.114 0.000 1.085 432 I CA 0.956 62.238 61.300 -0.029 0.000 1.347 432 I CB -0.242 37.635 38.000 -0.205 0.000 1.044 432 I HN 0.049 nan 8.210 nan 0.000 0.408 433 F N 0.906 120.660 119.950 -0.326 0.000 2.134 433 F HA -0.170 4.356 4.527 -0.001 0.000 0.299 433 F C 2.607 178.121 175.800 -0.477 0.000 1.097 433 F CA 1.086 58.684 58.000 -0.671 0.000 1.264 433 F CB -1.265 36.655 39.000 -1.800 0.000 1.001 433 F HN 0.009 nan 8.300 nan 0.000 0.479 434 A N 0.360 123.062 122.820 -0.196 0.000 1.883 434 A HA -0.133 4.186 4.320 -0.001 0.000 0.217 434 A C 2.634 180.144 177.584 -0.124 0.000 1.186 434 A CA 2.034 54.032 52.037 -0.065 0.000 0.624 434 A CB -1.612 17.322 19.000 -0.110 0.000 0.822 434 A HN 0.406 nan 8.150 nan 0.000 0.444 435 G N -0.229 108.407 108.800 -0.273 0.000 2.440 435 G HA2 -0.209 3.751 3.960 -0.001 0.000 0.218 435 G HA3 -0.209 3.751 3.960 -0.001 0.000 0.218 435 G C 1.548 176.405 174.900 -0.071 0.000 1.154 435 G CA 1.160 45.930 45.100 -0.549 0.000 0.767 435 G HN 0.485 nan 8.290 nan 0.000 0.552 436 I N -0.875 119.835 120.570 0.233 0.000 2.202 436 I HA -0.140 4.029 4.170 -0.001 0.000 0.242 436 I C 2.418 178.663 176.117 0.215 0.000 1.091 436 I CA 0.973 62.486 61.300 0.354 0.000 1.368 436 I CB -0.163 37.998 38.000 0.269 0.000 1.058 436 I HN 0.139 nan 8.210 nan 0.000 0.410 437 Y N -0.893 119.534 120.300 0.212 0.000 2.373 437 Y HA -0.209 4.340 4.550 -0.001 0.000 0.293 437 Y C 2.188 178.420 175.900 0.554 0.000 1.129 437 Y CA 1.184 59.384 58.100 0.166 0.000 1.226 437 Y CB -0.373 38.046 38.460 -0.070 0.000 1.000 437 Y HN 0.095 nan 8.280 nan 0.000 0.549 438 F N -1.488 118.696 119.950 0.390 0.000 2.259 438 F HA -0.171 4.355 4.527 -0.001 0.000 0.298 438 F C 1.195 177.411 175.800 0.694 0.000 1.088 438 F CA 1.330 59.569 58.000 0.399 0.000 1.358 438 F CB -0.124 38.693 39.000 -0.305 0.000 1.040 438 F HN 0.038 nan 8.300 nan 0.000 0.505 439 W N -0.757 120.825 121.300 0.470 0.000 2.870 439 W HA 0.264 4.923 4.660 -0.001 0.000 0.358 439 W C 1.795 178.503 176.519 0.315 0.000 1.043 439 W CA -0.496 57.009 57.345 0.266 0.000 1.692 439 W CB -0.254 29.206 29.460 -0.002 0.000 1.100 439 W HN -0.065 nan 8.180 nan 0.000 0.557 440 I N 0.181 121.066 120.570 0.524 0.000 2.439 440 I HA -0.095 4.074 4.170 -0.001 0.000 0.251 440 I C 2.114 178.355 176.117 0.207 0.000 1.139 440 I CA 1.639 63.121 61.300 0.303 0.000 1.438 440 I CB -0.810 37.314 38.000 0.207 0.000 1.085 440 I HN -0.069 nan 8.210 nan 0.000 0.427 441 G N 0.809 109.715 108.800 0.176 0.000 2.402 441 G HA2 -0.318 3.641 3.960 -0.001 0.000 0.216 441 G HA3 -0.318 3.641 3.960 -0.001 0.000 0.216 441 G C 1.678 176.668 174.900 0.151 0.000 1.162 441 G CA 0.885 45.904 45.100 -0.134 0.000 0.777 441 G HN 0.241 nan 8.290 nan 0.000 0.539 442 K N 0.349 121.031 120.400 0.470 0.000 2.057 442 K HA 0.097 4.416 4.320 -0.001 0.000 0.207 442 K C 2.447 179.162 176.600 0.192 0.000 1.049 442 K CA 1.262 57.771 56.287 0.369 0.000 0.931 442 K CB -0.382 32.275 32.500 0.262 0.000 0.714 442 K HN 0.346 nan 8.250 nan 0.000 0.440 443 M N -0.387 119.296 119.600 0.139 0.000 2.288 443 M HA -0.038 4.441 4.480 -0.001 0.000 0.266 443 M C 1.962 178.329 176.300 0.111 0.000 1.072 443 M CA 1.562 56.886 55.300 0.041 0.000 1.132 443 M CB 0.050 32.562 32.600 -0.147 0.000 1.386 443 M HN 0.310 nan 8.290 nan 0.000 0.432 444 S N -1.397 114.359 115.700 0.093 0.000 2.514 444 S HA 0.297 4.766 4.470 -0.001 0.000 0.223 444 S C 1.581 176.207 174.600 0.043 0.000 1.046 444 S CA 0.570 58.813 58.200 0.072 0.000 0.914 444 S CB 0.540 63.766 63.200 0.043 0.000 0.807 444 S HN 0.575 nan 8.310 nan 0.000 0.497 445 G N 1.290 110.110 108.800 0.032 0.000 2.176 445 G HA2 -0.221 3.738 3.960 -0.001 0.000 0.253 445 G HA3 -0.221 3.738 3.960 -0.001 0.000 0.253 445 G C 0.067 174.932 174.900 -0.058 0.000 0.979 445 G CA 0.129 45.229 45.100 0.000 0.000 0.641 445 G HN 0.638 nan 8.290 nan 0.000 0.530 446 R N -0.499 119.957 120.500 -0.074 0.000 2.750 446 R HA 0.630 4.969 4.340 -0.001 0.000 0.281 446 R C -0.720 175.499 176.300 -0.134 0.000 0.972 446 R CA -0.906 55.127 56.100 -0.112 0.000 0.912 446 R CB 1.560 31.795 30.300 -0.107 0.000 1.187 446 R HN 0.146 nan 8.270 nan 0.000 0.464 447 Q N 1.822 121.519 119.800 -0.171 0.000 2.245 447 Q HA 0.219 4.558 4.340 -0.001 0.000 0.256 447 Q C -1.380 174.573 176.000 -0.077 0.000 0.942 447 Q CA -0.700 54.978 55.803 -0.209 0.000 0.896 447 Q CB 0.974 29.501 28.738 -0.352 0.000 1.272 447 Q HN 0.481 nan 8.270 nan 0.000 0.442 448 Y N 1.774 122.098 120.300 0.040 0.000 2.336 448 Y HA 0.629 5.178 4.550 -0.001 0.000 0.331 448 Y C -2.133 173.843 175.900 0.126 0.000 1.211 448 Y CA -2.763 55.406 58.100 0.115 0.000 1.346 448 Y CB -0.119 38.470 38.460 0.215 0.000 1.271 448 Y HN 0.473 nan 8.280 nan 0.000 0.538 449 P HA 0.014 nan 4.420 nan 0.000 0.270 449 P C 0.011 177.330 177.300 0.032 0.000 1.242 449 P CA 0.114 63.238 63.100 0.039 0.000 0.768 449 P CB 1.510 33.175 31.700 -0.058 0.000 0.820 450 E N 5.165 125.396 120.200 0.052 0.000 2.085 450 E HA -0.180 4.169 4.350 -0.001 0.000 0.194 450 E C 1.616 178.350 176.600 0.223 0.000 0.994 450 E CA 1.534 58.057 56.400 0.205 0.000 0.801 450 E CB -0.620 29.172 29.700 0.154 0.000 0.743 450 E HN 0.628 nan 8.360 nan 0.000 0.453 451 W N 0.050 121.471 121.300 0.202 0.000 2.350 451 W HA -0.108 4.552 4.660 -0.001 0.000 0.289 451 W C 1.649 178.327 176.519 0.264 0.000 1.215 451 W CA 1.207 58.666 57.345 0.189 0.000 1.236 451 W CB -0.903 28.640 29.460 0.140 0.000 1.130 451 W HN 0.174 nan 8.180 nan 0.000 0.541 452 A N 1.893 124.216 122.820 -0.829 0.000 1.935 452 A HA 0.158 4.478 4.320 -0.001 0.000 0.214 452 A C 2.392 180.005 177.584 0.049 0.000 1.178 452 A CA 1.637 53.250 52.037 -0.708 0.000 0.640 452 A CB -1.446 16.859 19.000 -1.159 0.000 0.825 452 A HN 0.353 nan 8.150 nan 0.000 0.447 453 G N 0.029 108.876 108.800 0.077 0.000 2.442 453 G HA2 -0.238 3.721 3.960 -0.001 0.000 0.219 453 G HA3 -0.238 3.721 3.960 -0.001 0.000 0.219 453 G C 1.667 176.505 174.900 -0.105 0.000 1.141 453 G CA 1.212 46.257 45.100 -0.091 0.000 0.763 453 G HN 0.564 nan 8.290 nan 0.000 0.554 454 K N -0.744 119.673 120.400 0.029 0.000 2.076 454 K HA 0.124 4.443 4.320 -0.001 0.000 0.204 454 K C 2.294 179.035 176.600 0.235 0.000 1.051 454 K CA 0.471 56.800 56.287 0.069 0.000 0.949 454 K CB -0.252 32.365 32.500 0.196 0.000 0.726 454 K HN 0.215 nan 8.250 nan 0.000 0.443 455 L N 1.291 122.694 121.223 0.300 0.000 2.046 455 L HA -0.212 4.128 4.340 -0.001 0.000 0.208 455 L C 2.258 179.252 176.870 0.207 0.000 1.077 455 L CA 1.880 56.877 54.840 0.262 0.000 0.747 455 L CB -0.770 41.417 42.059 0.214 0.000 0.896 455 L HN 0.328 nan 8.230 nan 0.000 0.432 456 H N -1.741 117.476 119.070 0.245 0.000 2.290 456 H HA -0.284 4.272 4.556 -0.001 0.000 0.298 456 H C 2.212 177.566 175.328 0.043 0.000 1.087 456 H CA 2.073 58.288 56.048 0.278 0.000 1.291 456 H CB -0.277 29.761 29.762 0.460 0.000 1.369 456 H HN 0.408 nan 8.280 nan 0.000 0.492 457 F N 0.605 120.243 119.950 -0.520 0.000 2.065 457 F HA -0.274 4.252 4.527 -0.001 0.000 0.298 457 F C 1.972 177.311 175.800 -0.768 0.000 1.112 457 F CA 2.119 59.366 58.000 -1.254 0.000 1.212 457 F CB -0.849 37.142 39.000 -1.682 0.000 0.975 457 F HN 0.211 nan 8.300 nan 0.000 0.476 458 W N 0.046 121.159 121.300 -0.311 0.000 2.388 458 W HA -0.146 4.513 4.660 -0.001 0.000 0.294 458 W C 2.549 178.980 176.519 -0.147 0.000 1.212 458 W CA 0.999 58.194 57.345 -0.250 0.000 1.271 458 W CB -0.429 29.003 29.460 -0.047 0.000 1.126 458 W HN 0.018 nan 8.180 nan 0.000 0.535 459 M N -0.812 118.851 119.600 0.106 0.000 2.117 459 M HA -0.237 4.242 4.480 -0.001 0.000 0.262 459 M C 2.257 178.607 176.300 0.083 0.000 1.065 459 M CA 1.648 57.007 55.300 0.098 0.000 1.114 459 M CB -0.625 32.028 32.600 0.087 0.000 1.361 459 M HN 0.060 nan 8.290 nan 0.000 0.408 460 M N 0.056 119.666 119.600 0.016 0.000 2.132 460 M HA -0.160 4.319 4.480 -0.001 0.000 0.263 460 M C 1.895 178.239 176.300 0.073 0.000 1.065 460 M CA 1.789 57.126 55.300 0.062 0.000 1.122 460 M CB -0.577 32.043 32.600 0.033 0.000 1.365 460 M HN 0.185 nan 8.290 nan 0.000 0.411 461 F N -0.338 119.440 119.950 -0.287 0.000 2.095 461 F HA -0.199 4.327 4.527 -0.001 0.000 0.298 461 F C 1.773 177.578 175.800 0.010 0.000 1.104 461 F CA 1.942 59.831 58.000 -0.185 0.000 1.232 461 F CB -0.335 38.268 39.000 -0.662 0.000 0.987 461 F HN 0.005 nan 8.300 nan 0.000 0.475 462 V N 0.060 120.059 119.914 0.141 0.000 2.283 462 V HA -0.166 3.953 4.120 -0.001 0.000 0.243 462 V C 2.751 178.848 176.094 0.005 0.000 1.039 462 V CA 1.890 64.245 62.300 0.093 0.000 1.016 462 V CB -1.571 30.351 31.823 0.165 0.000 0.650 462 V HN 0.507 nan 8.190 nan 0.000 0.449 463 G N -0.211 108.609 108.800 0.034 0.000 2.446 463 G HA2 -0.258 3.702 3.960 -0.001 0.000 0.217 463 G HA3 -0.258 3.702 3.960 -0.001 0.000 0.217 463 G C 1.754 176.624 174.900 -0.049 0.000 1.168 463 G CA 1.222 46.327 45.100 0.009 0.000 0.771 463 G HN 0.614 nan 8.290 nan 0.000 0.551 464 A N 0.771 123.587 122.820 -0.008 0.000 1.930 464 A HA -0.054 4.266 4.320 -0.001 0.000 0.217 464 A C 2.282 179.806 177.584 -0.100 0.000 1.175 464 A CA 1.702 53.736 52.037 -0.006 0.000 0.627 464 A CB -0.398 18.688 19.000 0.143 0.000 0.815 464 A HN 0.367 nan 8.150 nan 0.000 0.443 465 N N 0.004 118.610 118.700 -0.155 0.000 2.142 465 N HA -0.061 4.678 4.740 -0.001 0.000 0.186 465 N C 1.697 177.201 175.510 -0.009 0.000 1.023 465 N CA 1.217 54.209 53.050 -0.097 0.000 0.852 465 N CB -0.321 38.045 38.487 -0.201 0.000 0.998 465 N HN 0.477 nan 8.380 nan 0.000 0.424 466 L N 0.801 121.991 121.223 -0.055 0.000 2.131 466 L HA -0.135 4.204 4.340 -0.001 0.000 0.210 466 L C 2.203 178.992 176.870 -0.135 0.000 1.092 466 L CA 0.959 55.776 54.840 -0.037 0.000 0.759 466 L CB -0.489 41.550 42.059 -0.033 0.000 0.903 466 L HN 0.151 nan 8.230 nan 0.000 0.435 467 T N -0.745 113.626 114.554 -0.305 0.000 2.701 467 T HA -0.114 4.236 4.350 -0.001 0.000 0.263 467 T C 1.373 175.681 174.700 -0.653 0.000 1.040 467 T CA 1.509 63.227 62.100 -0.636 0.000 1.147 467 T CB -0.175 68.040 68.868 -1.089 0.000 0.865 467 T HN 0.137 nan 8.240 nan 0.000 0.426 468 F N -0.792 119.065 119.950 -0.154 0.000 2.622 468 F HA 0.397 4.924 4.527 -0.001 0.000 0.288 468 F C 1.675 177.440 175.800 -0.059 0.000 1.120 468 F CA -1.143 56.755 58.000 -0.170 0.000 1.423 468 F CB -0.554 38.270 39.000 -0.293 0.000 1.127 468 F HN 0.040 nan 8.300 nan 0.000 0.588 469 F N 2.395 122.414 119.950 0.115 0.000 2.102 469 F HA -0.076 4.450 4.527 -0.001 0.000 0.298 469 F C -0.731 174.807 175.800 -0.436 0.000 1.105 469 F CA 1.457 59.455 58.000 -0.003 0.000 1.239 469 F CB -1.471 37.496 39.000 -0.055 0.000 0.991 469 F HN -0.138 nan 8.300 nan 0.000 0.474 470 P HA -0.170 nan 4.420 nan 0.000 0.225 470 P C 0.990 177.999 177.300 -0.486 0.000 1.148 470 P CA 1.452 64.170 63.100 -0.636 0.000 0.779 470 P CB -0.193 31.523 31.700 0.026 0.000 0.780 471 Q N -1.753 117.824 119.800 -0.372 0.000 2.291 471 Q HA -0.176 4.163 4.340 -0.001 0.000 0.205 471 Q C 1.691 177.479 176.000 -0.352 0.000 0.970 471 Q CA 1.049 56.689 55.803 -0.271 0.000 0.876 471 Q CB -0.611 28.059 28.738 -0.112 0.000 0.935 471 Q HN 0.525 nan 8.270 nan 0.000 0.455 472 H N -0.621 118.108 119.070 -0.568 0.000 2.353 472 H HA -0.141 4.414 4.556 -0.001 0.000 0.300 472 H C 1.489 176.741 175.328 -0.128 0.000 1.090 472 H CA 1.599 57.338 56.048 -0.516 0.000 1.327 472 H CB -0.011 29.203 29.762 -0.913 0.000 1.383 472 H HN 0.187 nan 8.280 nan 0.000 0.508 473 F N 0.407 120.284 119.950 -0.121 0.000 2.102 473 F HA -0.138 4.389 4.527 -0.001 0.000 0.298 473 F C 2.279 178.124 175.800 0.076 0.000 1.105 473 F CA 0.892 58.825 58.000 -0.112 0.000 1.239 473 F CB -1.117 37.585 39.000 -0.497 0.000 0.991 473 F HN 0.086 nan 8.300 nan 0.000 0.474 474 L N -0.322 121.044 121.223 0.239 0.000 2.042 474 L HA -0.159 4.180 4.340 -0.001 0.000 0.210 474 L C 2.773 179.767 176.870 0.206 0.000 1.076 474 L CA 1.490 56.449 54.840 0.199 0.000 0.749 474 L CB -1.455 40.551 42.059 -0.088 0.000 0.893 474 L HN 0.271 nan 8.230 nan 0.000 0.432 475 G N -0.245 108.690 108.800 0.225 0.000 2.418 475 G HA2 -0.241 3.718 3.960 -0.001 0.000 0.217 475 G HA3 -0.241 3.718 3.960 -0.001 0.000 0.217 475 G C 1.732 176.933 174.900 0.502 0.000 1.158 475 G CA 0.510 45.808 45.100 0.329 0.000 0.771 475 G HN 0.279 nan 8.290 nan 0.000 0.545 476 R N -0.280 120.520 120.500 0.500 0.000 2.120 476 R HA 0.003 4.342 4.340 -0.001 0.000 0.234 476 R C 2.536 179.113 176.300 0.461 0.000 1.123 476 R CA 1.055 57.440 56.100 0.476 0.000 0.975 476 R CB -0.117 30.379 30.300 0.327 0.000 0.866 476 R HN 0.267 nan 8.270 nan 0.000 0.446 477 Q N -0.552 119.512 119.800 0.441 0.000 2.482 477 Q HA 0.037 4.377 4.340 -0.001 0.000 0.209 477 Q C 0.787 177.108 176.000 0.534 0.000 0.961 477 Q CA 0.997 57.072 55.803 0.453 0.000 0.945 477 Q CB 1.040 30.061 28.738 0.472 0.000 1.012 477 Q HN 0.612 nan 8.270 nan 0.000 0.515 478 G N 1.385 110.451 108.800 0.443 0.000 2.131 478 G HA2 -0.264 3.695 3.960 -0.001 0.000 0.223 478 G HA3 -0.264 3.695 3.960 -0.001 0.000 0.223 478 G C 0.059 175.018 174.900 0.098 0.000 0.990 478 G CA 0.268 45.497 45.100 0.215 0.000 0.671 478 G HN 0.340 nan 8.290 nan 0.000 0.521 479 M N 1.593 121.109 119.600 -0.139 0.000 2.251 479 M HA 0.370 4.850 4.480 -0.001 0.000 0.346 479 M C -2.005 174.120 176.300 -0.292 0.000 1.499 479 M CA -1.380 53.531 55.300 -0.648 0.000 1.128 479 M CB 0.635 32.550 32.600 -1.141 0.000 1.809 479 M HN 0.018 nan 8.290 nan 0.000 0.464 480 P HA 0.214 nan 4.420 nan 0.000 0.274 480 P C -1.111 175.978 177.300 -0.351 0.000 1.237 480 P CA -0.243 62.561 63.100 -0.494 0.000 0.793 480 P CB 0.557 31.690 31.700 -0.945 0.000 0.977 481 R N 1.216 121.565 120.500 -0.251 0.000 2.615 481 R HA 0.314 4.654 4.340 -0.001 0.000 0.270 481 R C 0.411 176.753 176.300 0.071 0.000 1.081 481 R CA -0.264 55.745 56.100 -0.152 0.000 1.154 481 R CB 0.085 30.298 30.300 -0.145 0.000 1.063 481 R HN 0.423 nan 8.270 nan 0.000 0.519 482 R N -0.123 120.547 120.500 0.284 0.000 3.654 482 R HA -0.186 4.153 4.340 -0.001 0.000 0.302 482 R C -1.299 175.362 176.300 0.601 0.000 1.166 482 R CA 0.617 57.019 56.100 0.503 0.000 0.810 482 R CB -1.656 28.843 30.300 0.332 0.000 1.323 482 R HN 0.398 nan 8.270 nan 0.000 0.478 483 Y N -0.209 120.160 120.300 0.116 0.000 2.331 483 Y HA 0.289 4.838 4.550 -0.001 0.000 0.338 483 Y C 1.459 176.836 175.900 -0.872 0.000 0.992 483 Y CA -1.667 56.310 58.100 -0.205 0.000 1.121 483 Y CB 1.004 39.419 38.460 -0.075 0.000 1.184 483 Y HN 0.078 nan 8.280 nan 0.000 0.469 484 I N 1.065 121.104 120.570 -0.884 0.000 2.394 484 I HA -0.145 4.024 4.170 -0.001 0.000 0.251 484 I C -0.006 175.740 176.117 -0.618 0.000 1.136 484 I CA 1.599 62.255 61.300 -1.072 0.000 1.425 484 I CB 0.312 38.067 38.000 -0.407 0.000 1.079 484 I HN 0.577 nan 8.210 nan 0.000 0.425 485 D N -1.626 118.564 120.400 -0.350 0.000 2.583 485 D HA 0.373 5.012 4.640 -0.001 0.000 0.248 485 D C -1.605 174.670 176.300 -0.042 0.000 1.209 485 D CA -0.361 53.476 54.000 -0.270 0.000 0.848 485 D CB 1.555 42.200 40.800 -0.258 0.000 1.431 485 D HN 0.103 nan 8.370 nan 0.000 0.436 486 Y N -1.929 118.383 120.300 0.021 0.000 2.581 486 Y HA 0.685 5.234 4.550 -0.001 0.000 0.337 486 Y C -2.787 173.242 175.900 0.215 0.000 1.108 486 Y CA -2.370 55.824 58.100 0.156 0.000 1.033 486 Y CB 0.344 38.859 38.460 0.092 0.000 1.318 486 Y HN 0.092 nan 8.280 nan 0.000 0.459 487 P HA -0.043 nan 4.420 nan 0.000 0.264 487 P C 0.658 178.151 177.300 0.322 0.000 1.179 487 P CA 0.495 63.789 63.100 0.323 0.000 0.763 487 P CB 0.928 32.800 31.700 0.286 0.000 0.806 488 E N 3.735 124.007 120.200 0.120 0.000 2.114 488 E HA -0.288 4.061 4.350 -0.001 0.000 0.199 488 E C 1.798 178.446 176.600 0.080 0.000 1.008 488 E CA 2.183 58.634 56.400 0.085 0.000 0.810 488 E CB -0.763 28.942 29.700 0.009 0.000 0.739 488 E HN 0.485 nan 8.360 nan 0.000 0.456 489 A N -0.633 122.153 122.820 -0.057 0.000 2.076 489 A HA -0.126 4.194 4.320 -0.001 0.000 0.220 489 A C 1.621 179.103 177.584 -0.170 0.000 1.160 489 A CA 1.245 53.173 52.037 -0.181 0.000 0.653 489 A CB -0.751 18.053 19.000 -0.326 0.000 0.801 489 A HN 0.373 nan 8.150 nan 0.000 0.455 490 F N -0.492 119.533 119.950 0.125 0.000 2.797 490 F HA 0.272 4.799 4.527 -0.001 0.000 0.302 490 F C 2.321 178.103 175.800 -0.030 0.000 1.130 490 F CA -0.117 57.886 58.000 0.005 0.000 1.387 490 F CB -0.488 38.391 39.000 -0.201 0.000 1.107 490 F HN 0.246 nan 8.300 nan 0.000 0.577 491 A N 0.137 123.125 122.820 0.280 0.000 1.873 491 A HA -0.233 4.087 4.320 -0.001 0.000 0.218 491 A C 2.370 180.014 177.584 0.100 0.000 1.193 491 A CA 2.599 54.789 52.037 0.255 0.000 0.629 491 A CB -1.252 17.835 19.000 0.146 0.000 0.826 491 A HN 0.316 nan 8.150 nan 0.000 0.447 492 T N -1.349 113.174 114.554 -0.051 0.000 2.652 492 T HA -0.231 4.119 4.350 -0.001 0.000 0.267 492 T C 1.528 176.123 174.700 -0.173 0.000 1.039 492 T CA 1.773 63.728 62.100 -0.242 0.000 1.153 492 T CB -0.409 68.127 68.868 -0.553 0.000 0.863 492 T HN 0.749 nan 8.240 nan 0.000 0.428 493 W N 1.490 122.869 121.300 0.132 0.000 2.584 493 W HA 0.148 4.807 4.660 -0.001 0.000 0.264 493 W C 2.447 178.969 176.519 0.005 0.000 1.264 493 W CA -0.505 56.916 57.345 0.126 0.000 1.306 493 W CB -0.265 29.324 29.460 0.214 0.000 1.110 493 W HN 0.180 nan 8.180 nan 0.000 0.606 494 N N 0.258 119.026 118.700 0.114 0.000 2.244 494 N HA -0.175 4.564 4.740 -0.001 0.000 0.183 494 N C 1.490 177.034 175.510 0.058 0.000 1.016 494 N CA 1.254 54.274 53.050 -0.050 0.000 0.866 494 N CB -0.578 37.765 38.487 -0.240 0.000 0.980 494 N HN 0.134 nan 8.380 nan 0.000 0.430 495 F N 1.959 121.906 119.950 -0.004 0.000 2.084 495 F HA -0.137 4.389 4.527 -0.001 0.000 0.296 495 F C 2.252 178.039 175.800 -0.022 0.000 1.111 495 F CA 0.966 58.964 58.000 -0.003 0.000 1.224 495 F CB -0.522 38.475 39.000 -0.006 0.000 0.991 495 F HN -0.251 nan 8.300 nan 0.000 0.471 496 V N -0.482 119.474 119.914 0.071 0.000 2.287 496 V HA -0.328 3.791 4.120 -0.001 0.000 0.248 496 V C 2.666 178.694 176.094 -0.110 0.000 1.053 496 V CA 2.073 64.382 62.300 0.016 0.000 1.027 496 V CB -1.343 30.664 31.823 0.307 0.000 0.646 496 V HN 0.526 nan 8.190 nan 0.000 0.447 497 S N -0.372 115.274 115.700 -0.089 0.000 2.370 497 S HA -0.232 4.237 4.470 -0.001 0.000 0.226 497 S C 2.227 176.575 174.600 -0.419 0.000 1.033 497 S CA 2.171 60.225 58.200 -0.245 0.000 1.011 497 S CB -0.351 62.709 63.200 -0.234 0.000 0.852 497 S HN 0.616 nan 8.310 nan 0.000 0.457 498 S N 1.527 116.956 115.700 -0.451 0.000 2.356 498 S HA 0.027 4.496 4.470 -0.001 0.000 0.223 498 S C 1.808 175.742 174.600 -1.110 0.000 1.032 498 S CA 1.392 59.133 58.200 -0.765 0.000 1.005 498 S CB -0.545 62.327 63.200 -0.547 0.000 0.867 498 S HN 0.478 nan 8.310 nan 0.000 0.449 499 L N 0.894 121.698 121.223 -0.698 0.000 2.012 499 L HA -0.141 4.198 4.340 -0.001 0.000 0.210 499 L C 2.814 179.508 176.870 -0.294 0.000 1.073 499 L CA 1.503 56.092 54.840 -0.419 0.000 0.748 499 L CB -1.465 40.391 42.059 -0.340 0.000 0.891 499 L HN 0.440 nan 8.230 nan 0.000 0.431 500 G N -0.339 108.285 108.800 -0.293 0.000 2.469 500 G HA2 -0.291 3.669 3.960 -0.001 0.000 0.219 500 G HA3 -0.291 3.669 3.960 -0.001 0.000 0.219 500 G C 1.733 176.490 174.900 -0.240 0.000 1.150 500 G CA 0.946 45.914 45.100 -0.221 0.000 0.763 500 G HN 0.502 nan 8.290 nan 0.000 0.561 501 A N 0.150 122.723 122.820 -0.411 0.000 1.969 501 A HA 0.199 4.518 4.320 -0.001 0.000 0.218 501 A C 2.113 179.665 177.584 -0.053 0.000 1.169 501 A CA 1.297 53.139 52.037 -0.324 0.000 0.635 501 A CB -0.403 18.317 19.000 -0.466 0.000 0.810 501 A HN 0.261 nan 8.150 nan 0.000 0.445 502 F N -0.632 119.309 119.950 -0.015 0.000 2.163 502 F HA -0.039 4.487 4.527 -0.001 0.000 0.297 502 F C 1.996 177.879 175.800 0.138 0.000 1.094 502 F CA 0.713 58.756 58.000 0.072 0.000 1.290 502 F CB -1.091 37.918 39.000 0.016 0.000 1.017 502 F HN 0.262 nan 8.300 nan 0.000 0.483 503 L N -0.164 121.201 121.223 0.236 0.000 2.046 503 L HA -0.146 4.194 4.340 -0.001 0.000 0.208 503 L C 2.319 179.309 176.870 0.200 0.000 1.077 503 L CA 1.736 56.684 54.840 0.179 0.000 0.747 503 L CB -1.190 40.930 42.059 0.103 0.000 0.896 503 L HN -0.014 nan 8.230 nan 0.000 0.432 504 S N -0.572 115.236 115.700 0.179 0.000 2.383 504 S HA -0.206 4.263 4.470 -0.001 0.000 0.229 504 S C 1.794 176.608 174.600 0.357 0.000 1.030 504 S CA 1.646 59.982 58.200 0.226 0.000 1.002 504 S CB -0.700 62.589 63.200 0.149 0.000 0.829 504 S HN 0.548 nan 8.310 nan 0.000 0.467 505 F N 2.562 122.641 119.950 0.215 0.000 2.146 505 F HA -0.009 4.517 4.527 -0.001 0.000 0.298 505 F C 2.359 178.347 175.800 0.314 0.000 1.096 505 F CA 0.667 58.833 58.000 0.276 0.000 1.275 505 F CB -0.954 38.196 39.000 0.250 0.000 1.008 505 F HN 0.165 nan 8.300 nan 0.000 0.480 506 A N -0.147 122.819 122.820 0.244 0.000 1.892 506 A HA -0.277 4.043 4.320 -0.001 0.000 0.218 506 A C 2.431 180.125 177.584 0.183 0.000 1.188 506 A CA 2.574 54.696 52.037 0.141 0.000 0.631 506 A CB -1.563 17.537 19.000 0.165 0.000 0.822 506 A HN 0.528 nan 8.150 nan 0.000 0.447 507 S N -1.661 114.190 115.700 0.252 0.000 2.399 507 S HA -0.165 4.304 4.470 -0.001 0.000 0.231 507 S C 1.801 176.654 174.600 0.421 0.000 1.022 507 S CA 1.584 59.994 58.200 0.349 0.000 0.983 507 S CB -0.577 62.839 63.200 0.358 0.000 0.803 507 S HN 0.508 nan 8.310 nan 0.000 0.480 508 F N 1.805 121.876 119.950 0.203 0.000 2.293 508 F HA 0.337 4.864 4.527 -0.001 0.000 0.297 508 F C 1.878 177.760 175.800 0.137 0.000 1.089 508 F CA 0.505 58.630 58.000 0.209 0.000 1.377 508 F CB -0.255 38.887 39.000 0.237 0.000 1.051 508 F HN 0.156 nan 8.300 nan 0.000 0.511 509 L N -1.241 119.964 121.223 -0.030 0.000 2.056 509 L HA -0.210 4.129 4.340 -0.001 0.000 0.207 509 L C 2.413 179.253 176.870 -0.049 0.000 1.078 509 L CA 1.407 56.159 54.840 -0.147 0.000 0.749 509 L CB -0.963 40.967 42.059 -0.215 0.000 0.901 509 L HN 0.165 nan 8.230 nan 0.000 0.433 510 F N 0.779 120.689 119.950 -0.068 0.000 2.091 510 F HA -0.346 4.180 4.527 -0.001 0.000 0.299 510 F C 2.410 178.143 175.800 -0.110 0.000 1.103 510 F CA 1.736 59.714 58.000 -0.038 0.000 1.228 510 F CB -0.482 38.545 39.000 0.044 0.000 0.984 510 F HN 0.035 nan 8.300 nan 0.000 0.477 511 F N 0.695 120.447 119.950 -0.329 0.000 2.126 511 F HA -0.208 4.318 4.527 -0.001 0.000 0.299 511 F C 1.797 177.317 175.800 -0.467 0.000 1.096 511 F CA 1.814 59.446 58.000 -0.615 0.000 1.255 511 F CB -0.697 37.703 39.000 -1.000 0.000 0.997 511 F HN 0.004 nan 8.300 nan 0.000 0.479 512 L N 0.118 120.975 121.223 -0.610 0.000 2.141 512 L HA -0.090 4.249 4.340 -0.001 0.000 0.209 512 L C 2.798 179.446 176.870 -0.371 0.000 1.094 512 L CA 1.158 55.652 54.840 -0.576 0.000 0.763 512 L CB -1.422 40.411 42.059 -0.376 0.000 0.908 512 L HN 0.375 nan 8.230 nan 0.000 0.437 513 G N -0.636 107.969 108.800 -0.324 0.000 2.408 513 G HA2 -0.155 3.805 3.960 -0.001 0.000 0.217 513 G HA3 -0.155 3.805 3.960 -0.001 0.000 0.217 513 G C 1.592 176.356 174.900 -0.227 0.000 1.150 513 G CA 0.688 45.662 45.100 -0.209 0.000 0.776 513 G HN 0.163 nan 8.290 nan 0.000 0.542 514 V N 1.180 120.811 119.914 -0.471 0.000 2.295 514 V HA -0.132 3.987 4.120 -0.001 0.000 0.246 514 V C 2.763 178.723 176.094 -0.223 0.000 1.049 514 V CA 1.444 63.515 62.300 -0.382 0.000 1.024 514 V CB -0.357 31.197 31.823 -0.449 0.000 0.648 514 V HN 0.375 nan 8.190 nan 0.000 0.447 515 I N -0.930 119.395 120.570 -0.408 0.000 2.286 515 I HA -0.259 3.911 4.170 -0.001 0.000 0.248 515 I C 2.311 178.370 176.117 -0.097 0.000 1.115 515 I CA 1.760 62.873 61.300 -0.313 0.000 1.392 515 I CB -0.360 37.324 38.000 -0.528 0.000 1.065 515 I HN 0.343 nan 8.210 nan 0.000 0.418 516 F N 0.986 120.828 119.950 -0.181 0.000 2.113 516 F HA -0.301 4.226 4.527 -0.001 0.000 0.297 516 F C 2.512 178.288 175.800 -0.040 0.000 1.103 516 F CA 1.628 59.572 58.000 -0.093 0.000 1.248 516 F CB -0.708 38.239 39.000 -0.088 0.000 0.999 516 F HN 0.047 nan 8.300 nan 0.000 0.475 517 Y N 0.860 121.077 120.300 -0.139 0.000 2.181 517 Y HA -0.218 4.332 4.550 -0.001 0.000 0.288 517 Y C 2.440 178.229 175.900 -0.186 0.000 1.146 517 Y CA 2.410 60.403 58.100 -0.178 0.000 1.164 517 Y CB -0.957 37.463 38.460 -0.066 0.000 0.982 517 Y HN 0.046 nan 8.280 nan 0.000 0.515 518 T N 1.042 115.545 114.554 -0.085 0.000 2.746 518 T HA -0.179 4.170 4.350 -0.001 0.000 0.267 518 T C 1.800 176.372 174.700 -0.213 0.000 1.039 518 T CA 1.897 63.926 62.100 -0.118 0.000 1.142 518 T CB -0.448 68.429 68.868 0.014 0.000 0.866 518 T HN 0.322 nan 8.240 nan 0.000 0.444 519 L N 0.123 121.218 121.223 -0.213 0.000 2.554 519 L HA 0.091 4.431 4.340 -0.001 0.000 0.226 519 L C 2.461 179.163 176.870 -0.280 0.000 1.137 519 L CA 0.722 55.452 54.840 -0.184 0.000 0.863 519 L CB -0.145 41.862 42.059 -0.086 0.000 0.985 519 L HN 0.241 nan 8.230 nan 0.000 0.451 520 T N -1.221 113.067 114.554 -0.444 0.000 3.038 520 T HA 0.157 4.506 4.350 -0.001 0.000 0.244 520 T C 1.480 175.929 174.700 -0.419 0.000 1.016 520 T CA 0.483 62.287 62.100 -0.494 0.000 1.098 520 T CB 0.434 68.792 68.868 -0.850 0.000 0.954 520 T HN 0.199 nan 8.240 nan 0.000 0.469 521 R N 0.090 120.252 120.500 -0.564 0.000 2.504 521 R HA 0.247 4.586 4.340 -0.001 0.000 0.396 521 R C 0.504 176.385 176.300 -0.698 0.000 0.896 521 R CA -0.336 55.424 56.100 -0.567 0.000 1.152 521 R CB 1.018 30.980 30.300 -0.562 0.000 1.681 521 R HN 0.188 nan 8.270 nan 0.000 0.537 522 G N 1.155 109.581 108.800 -0.623 0.000 2.406 522 G HA2 0.410 4.369 3.960 -0.001 0.000 0.251 522 G HA3 0.410 4.369 3.960 -0.001 0.000 0.251 522 G C 0.358 175.141 174.900 -0.195 0.000 1.271 522 G CA -0.141 44.729 45.100 -0.385 0.000 0.859 522 G HN 0.251 nan 8.290 nan 0.000 0.540 523 A N 3.333 126.095 122.820 -0.098 0.000 2.600 523 A HA 0.069 4.388 4.320 -0.001 0.000 0.244 523 A C 1.118 178.639 177.584 -0.104 0.000 1.016 523 A CA 0.436 52.429 52.037 -0.074 0.000 0.778 523 A CB -0.031 18.944 19.000 -0.042 0.000 0.920 523 A HN 0.785 nan 8.150 nan 0.000 0.513 524 R N 1.399 121.846 120.500 -0.088 0.000 2.694 524 R HA 0.327 4.666 4.340 -0.001 0.000 0.268 524 R C -0.334 175.910 176.300 -0.093 0.000 1.061 524 R CA -0.387 55.662 56.100 -0.085 0.000 1.133 524 R CB 0.540 30.804 30.300 -0.059 0.000 1.020 524 R HN 0.498 nan 8.270 nan 0.000 0.475 525 V N 2.002 121.857 119.914 -0.098 0.000 2.539 525 V HA 0.112 4.231 4.120 -0.001 0.000 0.292 525 V C 0.728 176.805 176.094 -0.028 0.000 1.045 525 V CA -0.093 62.145 62.300 -0.104 0.000 0.945 525 V CB 1.696 33.422 31.823 -0.162 0.000 0.993 525 V HN 0.914 nan 8.190 nan 0.000 0.464 526 T N 2.057 116.609 114.554 -0.004 0.000 3.111 526 T HA 0.261 4.610 4.350 -0.001 0.000 0.236 526 T C 0.920 175.655 174.700 0.058 0.000 0.984 526 T CA 0.676 62.789 62.100 0.021 0.000 1.195 526 T CB 0.153 69.028 68.868 0.012 0.000 0.929 526 T HN 0.786 nan 8.240 nan 0.000 0.431 527 A N 1.999 124.867 122.820 0.080 0.000 2.466 527 A HA 0.258 4.577 4.320 -0.001 0.000 0.238 527 A C 1.098 178.781 177.584 0.165 0.000 1.074 527 A CA -0.290 51.812 52.037 0.108 0.000 0.774 527 A CB 0.035 19.096 19.000 0.102 0.000 1.015 527 A HN 0.305 nan 8.150 nan 0.000 0.498 528 N N 0.512 119.297 118.700 0.142 0.000 2.171 528 N HA -0.065 4.675 4.740 -0.001 0.000 0.184 528 N C 0.219 175.873 175.510 0.241 0.000 1.021 528 N CA 1.195 54.351 53.050 0.177 0.000 0.854 528 N CB -0.090 38.478 38.487 0.136 0.000 0.994 528 N HN 0.670 nan 8.380 nan 0.000 0.426 529 N N 0.439 119.229 118.700 0.150 0.000 2.558 529 N HA 0.028 4.767 4.740 -0.001 0.000 0.242 529 N C -0.561 174.874 175.510 -0.125 0.000 0.979 529 N CA -0.359 52.698 53.050 0.013 0.000 0.931 529 N CB 0.276 38.761 38.487 -0.004 0.000 1.122 529 N HN 0.223 nan 8.380 nan 0.000 0.508 530 Y N 1.034 121.225 120.300 -0.182 0.000 2.461 530 Y HA 0.370 4.920 4.550 -0.001 0.000 0.277 530 Y C 0.834 176.479 175.900 -0.425 0.000 1.182 530 Y CA -0.761 57.150 58.100 -0.315 0.000 1.276 530 Y CB -0.260 37.972 38.460 -0.379 0.000 1.087 530 Y HN 0.352 nan 8.280 nan 0.000 0.519 531 W N 1.983 123.080 121.300 -0.339 0.000 3.384 531 W HA 0.229 4.888 4.660 -0.001 0.000 0.263 531 W C 0.064 176.435 176.519 -0.245 0.000 1.151 531 W CA 0.321 57.478 57.345 -0.314 0.000 2.176 531 W CB -0.043 29.016 29.460 -0.669 0.000 1.303 531 W HN 0.096 nan 8.180 nan 0.000 0.543 532 N N -1.629 117.036 118.700 -0.059 0.000 3.227 532 N HA 0.051 4.790 4.740 -0.001 0.000 0.241 532 N C -0.543 174.884 175.510 -0.140 0.000 1.480 532 N CA -0.500 52.511 53.050 -0.065 0.000 0.886 532 N CB 0.946 39.431 38.487 -0.004 0.000 1.406 532 N HN -0.120 nan 8.380 nan 0.000 0.514 533 E N -1.147 118.967 120.200 -0.142 0.000 2.338 533 E HA -0.093 4.257 4.350 -0.001 0.000 0.197 533 E C 0.582 176.991 176.600 -0.318 0.000 1.007 533 E CA 1.225 57.480 56.400 -0.242 0.000 0.849 533 E CB -0.411 29.104 29.700 -0.308 0.000 0.774 533 E HN 0.536 nan 8.360 nan 0.000 0.506 534 H N -0.007 118.989 119.070 -0.123 0.000 2.551 534 H HA 0.311 4.867 4.556 -0.001 0.000 0.266 534 H C 0.252 175.492 175.328 -0.147 0.000 0.977 534 H CA 0.655 56.634 56.048 -0.115 0.000 1.163 534 H CB 0.181 29.875 29.762 -0.112 0.000 1.381 534 H HN 0.081 nan 8.280 nan 0.000 0.581 535 A N 2.453 125.174 122.820 -0.165 0.000 2.805 535 A HA 0.083 4.402 4.320 -0.001 0.000 0.301 535 A C -0.189 177.366 177.584 -0.049 0.000 1.557 535 A CA -0.472 51.418 52.037 -0.245 0.000 1.254 535 A CB -0.687 17.813 19.000 -0.833 0.000 1.114 535 A HN 0.296 nan 8.150 nan 0.000 0.553 536 D N 0.888 121.341 120.400 0.088 0.000 3.008 536 D HA 0.199 4.838 4.640 -0.001 0.000 0.312 536 D C 0.287 176.701 176.300 0.190 0.000 1.361 536 D CA -0.072 53.999 54.000 0.119 0.000 0.858 536 D CB -0.175 40.643 40.800 0.030 0.000 1.098 536 D HN 0.310 nan 8.370 nan 0.000 0.482 537 T N -3.375 111.399 114.554 0.366 0.000 2.949 537 T HA 0.404 4.753 4.350 -0.001 0.000 0.287 537 T C 1.291 176.198 174.700 0.345 0.000 1.034 537 T CA -0.978 61.314 62.100 0.319 0.000 1.018 537 T CB 1.349 70.401 68.868 0.306 0.000 1.135 537 T HN 0.011 nan 8.240 nan 0.000 0.532 538 L N 0.874 122.265 121.223 0.281 0.000 2.265 538 L HA -0.066 4.274 4.340 -0.001 0.000 0.215 538 L C 2.984 179.947 176.870 0.155 0.000 1.117 538 L CA 1.286 56.246 54.840 0.200 0.000 0.782 538 L CB -0.526 41.627 42.059 0.157 0.000 0.914 538 L HN 0.852 nan 8.230 nan 0.000 0.441 539 E N -0.094 120.182 120.200 0.127 0.000 2.268 539 E HA -0.243 4.107 4.350 -0.001 0.000 0.195 539 E C 1.549 178.045 176.600 -0.174 0.000 0.995 539 E CA 1.112 57.475 56.400 -0.062 0.000 0.836 539 E CB -0.433 29.209 29.700 -0.096 0.000 0.763 539 E HN 0.614 nan 8.360 nan 0.000 0.491 540 W N 1.170 122.582 121.300 0.187 0.000 3.180 540 W HA 0.151 4.810 4.660 -0.001 0.000 0.254 540 W C 1.776 178.333 176.519 0.063 0.000 1.318 540 W CA 0.415 57.811 57.345 0.086 0.000 1.608 540 W CB 0.383 29.874 29.460 0.052 0.000 1.124 540 W HN -0.034 nan 8.180 nan 0.000 0.694 541 T N 0.712 115.396 114.554 0.217 0.000 3.057 541 T HA 0.156 4.505 4.350 -0.001 0.000 0.254 541 T C 0.864 175.625 174.700 0.103 0.000 1.094 541 T CA 0.423 62.609 62.100 0.143 0.000 1.088 541 T CB 0.002 68.941 68.868 0.118 0.000 0.934 541 T HN -0.184 nan 8.240 nan 0.000 0.497 542 L N 0.233 121.510 121.223 0.090 0.000 2.440 542 L HA 0.479 4.818 4.340 -0.001 0.000 0.262 542 L C 1.044 177.962 176.870 0.079 0.000 1.072 542 L CA -0.936 53.941 54.840 0.063 0.000 0.798 542 L CB 0.373 42.453 42.059 0.036 0.000 1.307 542 L HN -0.104 nan 8.230 nan 0.000 0.475 543 T N -0.965 113.627 114.554 0.062 0.000 2.698 543 T HA 0.199 4.549 4.350 -0.001 0.000 0.295 543 T C -0.045 174.712 174.700 0.095 0.000 1.007 543 T CA -0.329 61.815 62.100 0.074 0.000 0.980 543 T CB 0.570 69.468 68.868 0.049 0.000 1.036 543 T HN 0.537 nan 8.240 nan 0.000 0.526 544 S N 3.532 119.297 115.700 0.108 0.000 2.653 544 S HA 0.450 4.919 4.470 -0.001 0.000 0.272 544 S C -2.596 172.054 174.600 0.083 0.000 1.221 544 S CA -0.875 57.405 58.200 0.133 0.000 1.149 544 S CB 1.451 64.780 63.200 0.216 0.000 1.029 544 S HN 0.630 nan 8.310 nan 0.000 0.481 545 P HA 0.495 nan 4.420 nan 0.000 0.281 545 P C -2.961 174.367 177.300 0.047 0.000 1.264 545 P CA -2.128 61.020 63.100 0.080 0.000 0.824 545 P CB -0.319 31.430 31.700 0.080 0.000 1.092 546 P HA 0.159 nan 4.420 nan 0.000 0.269 546 P C -2.163 175.115 177.300 -0.037 0.000 1.217 546 P CA -0.688 62.408 63.100 -0.007 0.000 0.783 546 P CB -1.338 30.338 31.700 -0.040 0.000 0.898 547 P HA 0.085 nan 4.420 nan 0.000 0.272 547 P C 0.801 178.069 177.300 -0.053 0.000 1.230 547 P CA 0.018 63.099 63.100 -0.031 0.000 0.788 547 P CB 0.573 32.267 31.700 -0.010 0.000 0.949 548 E N -0.298 119.882 120.200 -0.033 0.000 2.108 548 E HA -0.236 4.114 4.350 -0.001 0.000 0.203 548 E C -0.039 176.573 176.600 0.019 0.000 1.022 548 E CA 1.669 58.061 56.400 -0.013 0.000 0.823 548 E CB -0.265 29.485 29.700 0.082 0.000 0.744 548 E HN 0.575 nan 8.360 nan 0.000 0.456 549 H N -0.818 118.183 119.070 -0.115 0.000 2.466 549 H HA 0.272 4.827 4.556 -0.001 0.000 0.338 549 H C -0.169 175.116 175.328 -0.072 0.000 1.091 549 H CA -0.359 55.634 56.048 -0.092 0.000 1.207 549 H CB 1.626 31.345 29.762 -0.072 0.000 1.466 549 H HN -0.007 nan 8.280 nan 0.000 0.493 550 T N 0.000 114.565 114.554 0.018 0.000 3.816 550 T HA 0.000 4.349 4.350 -0.001 0.000 0.228 550 T CA 0.000 62.103 62.100 0.006 0.000 1.349 550 T CB 0.000 68.861 68.868 -0.012 0.000 0.612 550 T HN 0.000 nan 8.240 nan 0.000 0.658