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 3om3_1_A DATA FIRST_RESID 17 DATA SEQUENCE FTRWFMSTNH KDIGVLYLFT GGLVGLISVA FTVYMRMELM APGVQFMcAE DATA SEQUENCE HLESGLVKGF FQSLWPSAVE NcTPNGHLWN VMITGHGILM MFFVVIPALF DATA SEQUENCE GGFGNYFMPL HIGAPDMAFP RMNNLSYWLY VAGTSLAVAS LFAPGGNGQL DATA SEQUENCE GSGIGWVLYP PLSTSESGYS TDLAIFAVHL SGASSILGAI NMITTFLNMR DATA SEQUENCE APGMTMHKVP LFAWSIFVTA WLILLALPVL AGAITMLLTD RNFGTTFFQP DATA SEQUENCE SGGGDPVLYQ HILWFFGHPE VYIIVLPAFG IVSHVIATFA KKPIFGYLPM DATA SEQUENCE VYAMVAIGVL GFVVWAHHMY TAGLSLTQQS YFMMATMVIA VPTGIMIFSW DATA SEQUENCE IATMWGGSIE LKTPMLWALG FLFLFTVGGV TGIVLSQASV DRYYHDTYYV DATA SEQUENCE VAHFHYVMSL GAVFGIFAGI YFWIGKMSGR QYPEWAGKLH FWMMFVGANL DATA SEQUENCE TFFPQHFLGR QGMPRRYIDY PEAFATWNFV SSLGAFLSFA SFLFFLGVIF DATA SEQUENCE YTLTRGARVT ANNYWNEHAD TLEWTLTSPP PEHTF VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 17 F HA 0.000 nan 4.527 nan 0.000 0.279 17 F C 0.000 175.936 175.800 0.226 0.000 0.967 17 F CA 0.000 58.087 58.000 0.144 0.000 1.383 17 F CB 0.000 39.051 39.000 0.085 0.000 1.145 18 T N -0.185 114.508 114.554 0.232 0.000 2.684 18 T HA 0.234 4.505 4.350 -0.132 0.000 0.267 18 T C 2.435 177.349 174.700 0.357 0.000 1.036 18 T CA 4.645 66.965 62.100 0.367 0.000 1.148 18 T CB -1.128 67.906 68.868 0.276 0.000 0.863 18 T HN 2.546 nan 8.240 nan 0.000 0.436 19 R N -0.087 120.530 120.500 0.195 0.000 2.335 19 R HA -0.330 3.931 4.340 -0.132 0.000 0.224 19 R C 2.041 178.406 176.300 0.109 0.000 1.071 19 R CA 3.089 59.250 56.100 0.102 0.000 0.786 19 R CB -2.323 27.963 30.300 -0.023 0.000 0.969 19 R HN 0.882 nan 8.270 nan 0.000 0.375 20 W N -0.868 120.370 121.300 -0.103 0.000 2.187 20 W HA -0.339 4.238 4.660 -0.139 0.000 0.346 20 W C 2.300 178.663 176.519 -0.260 0.000 1.443 20 W CA 2.167 59.341 57.345 -0.284 0.000 1.482 20 W CB -0.798 28.314 29.460 -0.581 0.000 1.062 20 W HN 0.488 nan 8.180 nan 0.000 0.479 21 F N -2.190 117.976 119.950 0.361 0.000 2.456 21 F HA -0.098 4.358 4.527 -0.119 0.000 0.298 21 F C 2.131 178.218 175.800 0.479 0.000 1.104 21 F CA 0.870 59.100 58.000 0.383 0.000 1.435 21 F CB -0.619 38.771 39.000 0.649 0.000 1.078 21 F HN -0.173 nan 8.300 nan 0.000 0.546 22 M N -1.069 118.807 119.600 0.459 0.000 2.441 22 M HA 0.134 4.534 4.480 -0.132 0.000 0.244 22 M C 0.954 177.371 176.300 0.194 0.000 1.122 22 M CA 0.157 55.651 55.300 0.323 0.000 1.041 22 M CB -0.825 31.900 32.600 0.210 0.000 1.438 22 M HN -0.065 nan 8.290 nan 0.000 0.484 23 S N 1.379 117.155 115.700 0.126 0.000 2.573 23 S HA 0.114 4.505 4.470 -0.132 0.000 0.277 23 S C 1.301 175.941 174.600 0.067 0.000 1.346 23 S CA 0.533 58.749 58.200 0.028 0.000 1.034 23 S CB 0.599 63.750 63.200 -0.080 0.000 0.879 23 S HN 0.558 nan 8.310 nan 0.000 0.528 24 T N 0.648 115.224 114.554 0.036 0.000 3.040 24 T HA 0.230 4.500 4.350 -0.132 0.000 0.266 24 T C 0.422 175.144 174.700 0.037 0.000 1.005 24 T CA -0.464 61.677 62.100 0.068 0.000 0.906 24 T CB -0.429 68.486 68.868 0.078 0.000 1.082 24 T HN 0.619 nan 8.240 nan 0.000 0.531 25 N N 1.854 120.537 118.700 -0.028 0.000 2.470 25 N HA -0.004 4.657 4.740 -0.132 0.000 0.268 25 N C 1.262 176.698 175.510 -0.122 0.000 1.136 25 N CA 0.051 53.053 53.050 -0.081 0.000 0.961 25 N CB 0.868 39.250 38.487 -0.175 0.000 1.067 25 N HN 0.609 nan 8.380 nan 0.000 0.468 26 H N 3.487 122.484 119.070 -0.121 0.000 2.460 26 H HA -0.087 4.389 4.556 -0.133 0.000 0.297 26 H C 1.166 176.348 175.328 -0.242 0.000 1.103 26 H CA 1.442 57.407 56.048 -0.140 0.000 1.292 26 H CB 0.221 29.891 29.762 -0.154 0.000 1.376 26 H HN 0.550 nan 8.280 nan 0.000 0.531 27 K N 0.212 119.987 120.400 -1.042 0.000 2.031 27 K HA -0.090 4.150 4.320 -0.132 0.000 0.205 27 K C 1.604 178.011 176.600 -0.323 0.000 1.049 27 K CA 1.212 56.875 56.287 -1.041 0.000 0.939 27 K CB 0.116 31.879 32.500 -1.229 0.000 0.717 27 K HN 0.395 nan 8.250 nan 0.000 0.438 28 D N 1.007 121.280 120.400 -0.210 0.000 2.144 28 D HA -0.115 4.445 4.640 -0.132 0.000 0.200 28 D C 1.925 178.286 176.300 0.101 0.000 0.978 28 D CA 1.040 55.065 54.000 0.043 0.000 0.833 28 D CB -0.052 40.685 40.800 -0.106 0.000 0.961 28 D HN 0.186 nan 8.370 nan 0.000 0.470 29 I N 1.097 121.676 120.570 0.015 0.000 2.286 29 I HA -0.108 3.983 4.170 -0.132 0.000 0.245 29 I C 2.626 178.846 176.117 0.172 0.000 1.104 29 I CA 1.069 62.393 61.300 0.039 0.000 1.397 29 I CB -0.364 37.712 38.000 0.125 0.000 1.072 29 I HN -0.016 nan 8.210 nan 0.000 0.417 30 G N 0.462 109.363 108.800 0.167 0.000 2.440 30 G HA2 -0.214 3.667 3.960 -0.132 0.000 0.218 30 G HA3 -0.214 3.667 3.960 -0.132 0.000 0.218 30 G C 1.716 176.704 174.900 0.147 0.000 1.154 30 G CA 0.995 46.211 45.100 0.193 0.000 0.767 30 G HN 0.244 nan 8.290 nan 0.000 0.552 31 V N 0.690 120.694 119.914 0.150 0.000 2.358 31 V HA -0.093 3.948 4.120 -0.132 0.000 0.246 31 V C 2.915 179.029 176.094 0.033 0.000 1.047 31 V CA 1.385 63.729 62.300 0.075 0.000 1.035 31 V CB -0.321 31.629 31.823 0.212 0.000 0.658 31 V HN 0.354 nan 8.190 nan 0.000 0.452 32 L N -1.696 119.498 121.223 -0.048 0.000 2.046 32 L HA -0.213 4.048 4.340 -0.132 0.000 0.208 32 L C 2.454 179.322 176.870 -0.003 0.000 1.077 32 L CA 1.912 56.605 54.840 -0.245 0.000 0.747 32 L CB -0.604 40.954 42.059 -0.834 0.000 0.896 32 L HN 0.313 nan 8.230 nan 0.000 0.432 33 Y N -0.113 120.243 120.300 0.093 0.000 2.128 33 Y HA -0.293 4.181 4.550 -0.127 0.000 0.284 33 Y C 2.496 178.475 175.900 0.130 0.000 1.154 33 Y CA 1.337 59.580 58.100 0.238 0.000 1.149 33 Y CB -0.159 38.372 38.460 0.120 0.000 0.976 33 Y HN 0.067 nan 8.280 nan 0.000 0.505 34 L N -1.870 119.421 121.223 0.113 0.000 2.017 34 L HA -0.250 4.011 4.340 -0.132 0.000 0.208 34 L C 2.112 178.960 176.870 -0.038 0.000 1.073 34 L CA 1.234 56.016 54.840 -0.096 0.000 0.745 34 L CB -0.579 41.270 42.059 -0.350 0.000 0.894 34 L HN 0.175 nan 8.230 nan 0.000 0.432 35 F N 0.049 120.017 119.950 0.030 0.000 2.113 35 F HA -0.199 4.248 4.527 -0.132 0.000 0.297 35 F C 2.696 178.555 175.800 0.097 0.000 1.103 35 F CA 1.704 59.717 58.000 0.022 0.000 1.248 35 F CB -1.051 37.898 39.000 -0.085 0.000 0.999 35 F HN 0.005 nan 8.300 nan 0.000 0.475 36 T N -0.793 113.973 114.554 0.354 0.000 2.708 36 T HA -0.124 4.146 4.350 -0.132 0.000 0.266 36 T C 2.363 177.268 174.700 0.341 0.000 1.037 36 T CA 1.403 63.686 62.100 0.306 0.000 1.146 36 T CB -1.127 67.933 68.868 0.320 0.000 0.865 36 T HN 0.405 nan 8.240 nan 0.000 0.435 37 G N 0.950 109.995 108.800 0.409 0.000 2.450 37 G HA2 -0.095 3.785 3.960 -0.132 0.000 0.220 37 G HA3 -0.095 3.785 3.960 -0.132 0.000 0.220 37 G C 1.662 176.713 174.900 0.253 0.000 1.130 37 G CA 1.028 46.330 45.100 0.336 0.000 0.760 37 G HN 0.579 nan 8.290 nan 0.000 0.557 38 G N 0.582 109.534 108.800 0.254 0.000 2.394 38 G HA2 -0.040 3.841 3.960 -0.132 0.000 0.215 38 G HA3 -0.040 3.841 3.960 -0.132 0.000 0.215 38 G C 1.717 176.815 174.900 0.331 0.000 1.165 38 G CA 0.874 46.160 45.100 0.310 0.000 0.784 38 G HN 0.415 nan 8.290 nan 0.000 0.535 39 L N 0.955 122.338 121.223 0.265 0.000 2.046 39 L HA 0.004 4.265 4.340 -0.132 0.000 0.208 39 L C 2.830 179.804 176.870 0.172 0.000 1.077 39 L CA 1.446 56.412 54.840 0.209 0.000 0.747 39 L CB -0.327 41.821 42.059 0.150 0.000 0.896 39 L HN 0.069 nan 8.230 nan 0.000 0.432 40 V N 0.051 120.062 119.914 0.162 0.000 2.427 40 V HA -0.148 3.893 4.120 -0.132 0.000 0.248 40 V C 2.655 178.804 176.094 0.091 0.000 1.051 40 V CA 1.562 63.928 62.300 0.110 0.000 1.048 40 V CB -1.749 30.172 31.823 0.164 0.000 0.666 40 V HN 0.617 nan 8.190 nan 0.000 0.456 41 G N 0.391 109.278 108.800 0.145 0.000 2.446 41 G HA2 -0.291 3.590 3.960 -0.132 0.000 0.217 41 G HA3 -0.291 3.590 3.960 -0.132 0.000 0.217 41 G C 1.584 176.540 174.900 0.093 0.000 1.168 41 G CA 1.301 46.457 45.100 0.094 0.000 0.771 41 G HN 0.443 nan 8.290 nan 0.000 0.551 42 L N 0.878 122.272 121.223 0.285 0.000 2.012 42 L HA -0.015 4.246 4.340 -0.132 0.000 0.210 42 L C 2.697 179.685 176.870 0.197 0.000 1.073 42 L CA 1.458 56.539 54.840 0.402 0.000 0.748 42 L CB -0.482 41.855 42.059 0.464 0.000 0.891 42 L HN 0.312 nan 8.230 nan 0.000 0.431 43 I N -1.440 119.164 120.570 0.057 0.000 2.179 43 I HA -0.285 3.806 4.170 -0.132 0.000 0.242 43 I C 2.634 178.499 176.117 -0.421 0.000 1.088 43 I CA 1.545 62.765 61.300 -0.132 0.000 1.357 43 I CB -0.532 37.354 38.000 -0.189 0.000 1.051 43 I HN 0.315 nan 8.210 nan 0.000 0.409 44 S N 0.254 115.753 115.700 -0.335 0.000 2.383 44 S HA -0.108 4.283 4.470 -0.132 0.000 0.227 44 S C 2.082 176.660 174.600 -0.036 0.000 1.026 44 S CA 0.979 59.008 58.200 -0.285 0.000 0.981 44 S CB -0.141 63.024 63.200 -0.059 0.000 0.818 44 S HN 0.211 nan 8.310 nan 0.000 0.472 45 V N 2.017 121.919 119.914 -0.020 0.000 2.343 45 V HA -0.132 3.909 4.120 -0.132 0.000 0.247 45 V C 2.777 178.852 176.094 -0.032 0.000 1.051 45 V CA 1.699 63.994 62.300 -0.009 0.000 1.036 45 V CB -1.212 30.580 31.823 -0.052 0.000 0.654 45 V HN 0.591 nan 8.190 nan 0.000 0.451 46 A N -0.244 122.592 122.820 0.027 0.000 1.908 46 A HA -0.202 4.039 4.320 -0.132 0.000 0.218 46 A C 2.043 179.713 177.584 0.144 0.000 1.181 46 A CA 1.821 53.856 52.037 -0.003 0.000 0.627 46 A CB -0.686 18.412 19.000 0.164 0.000 0.818 46 A HN 0.444 nan 8.150 nan 0.000 0.445 47 F N 1.242 121.171 119.950 -0.036 0.000 2.091 47 F HA -0.197 4.250 4.527 -0.132 0.000 0.299 47 F C 3.025 178.748 175.800 -0.128 0.000 1.103 47 F CA 1.618 59.597 58.000 -0.035 0.000 1.228 47 F CB -1.579 37.418 39.000 -0.005 0.000 0.984 47 F HN 0.442 nan 8.300 nan 0.000 0.477 48 T N -2.245 112.286 114.554 -0.038 0.000 2.833 48 T HA -0.105 4.165 4.350 -0.132 0.000 0.269 48 T C 2.098 176.727 174.700 -0.118 0.000 1.054 48 T CA 1.348 63.321 62.100 -0.210 0.000 1.135 48 T CB -1.063 67.617 68.868 -0.313 0.000 0.869 48 T HN 0.075 nan 8.240 nan 0.000 0.466 49 V N 0.464 120.307 119.914 -0.119 0.000 2.261 49 V HA -0.125 3.916 4.120 -0.132 0.000 0.246 49 V C 2.322 178.425 176.094 0.016 0.000 1.047 49 V CA 1.856 64.104 62.300 -0.087 0.000 1.015 49 V CB -0.998 30.579 31.823 -0.410 0.000 0.642 49 V HN 0.500 nan 8.190 nan 0.000 0.446 50 Y N 0.232 120.442 120.300 -0.149 0.000 2.165 50 Y HA -0.279 4.192 4.550 -0.132 0.000 0.286 50 Y C 2.472 178.311 175.900 -0.103 0.000 1.155 50 Y CA 1.770 59.768 58.100 -0.171 0.000 1.164 50 Y CB -0.460 37.907 38.460 -0.156 0.000 0.978 50 Y HN 0.185 nan 8.280 nan 0.000 0.513 51 M N -0.745 118.785 119.600 -0.117 0.000 2.082 51 M HA -0.278 4.123 4.480 -0.132 0.000 0.258 51 M C 2.215 178.589 176.300 0.124 0.000 1.069 51 M CA 1.795 57.059 55.300 -0.060 0.000 1.102 51 M CB -0.266 32.210 32.600 -0.206 0.000 1.336 51 M HN 0.012 nan 8.290 nan 0.000 0.404 52 R N -0.327 120.183 120.500 0.016 0.000 2.148 52 R HA 0.038 4.298 4.340 -0.132 0.000 0.223 52 R C 2.001 178.331 176.300 0.050 0.000 1.088 52 R CA 1.121 57.211 56.100 -0.016 0.000 0.985 52 R CB -0.483 29.718 30.300 -0.165 0.000 0.880 52 R HN 0.488 nan 8.270 nan 0.000 0.451 53 M N 0.134 119.752 119.600 0.031 0.000 2.080 53 M HA -0.198 4.203 4.480 -0.132 0.000 0.260 53 M C 2.024 178.165 176.300 -0.265 0.000 1.068 53 M CA 1.697 56.876 55.300 -0.203 0.000 1.109 53 M CB -0.189 31.990 32.600 -0.702 0.000 1.342 53 M HN -0.098 nan 8.290 nan 0.000 0.405 54 E N 0.543 120.601 120.200 -0.236 0.000 2.152 54 E HA -0.054 4.216 4.350 -0.132 0.000 0.192 54 E C 1.611 178.271 176.600 0.100 0.000 0.983 54 E CA 1.057 57.473 56.400 0.028 0.000 0.818 54 E CB -0.158 29.565 29.700 0.038 0.000 0.758 54 E HN 0.475 nan 8.360 nan 0.000 0.467 55 L N 0.138 121.429 121.223 0.112 0.000 2.558 55 L HA 0.142 4.403 4.340 -0.132 0.000 0.225 55 L C 2.243 179.246 176.870 0.221 0.000 1.128 55 L CA 0.083 55.028 54.840 0.176 0.000 0.868 55 L CB -0.228 41.874 42.059 0.071 0.000 1.006 55 L HN 0.271 nan 8.230 nan 0.000 0.454 56 M N 0.157 119.861 119.600 0.173 0.000 2.213 56 M HA -0.070 4.331 4.480 -0.132 0.000 0.263 56 M C 0.686 177.198 176.300 0.353 0.000 1.062 56 M CA 1.324 56.746 55.300 0.203 0.000 1.105 56 M CB 0.203 32.931 32.600 0.214 0.000 1.385 56 M HN 0.232 nan 8.290 nan 0.000 0.417 57 A N 0.428 123.432 122.820 0.308 0.000 2.515 57 A HA 0.697 4.938 4.320 -0.132 0.000 0.298 57 A C -2.679 174.907 177.584 0.003 0.000 1.059 57 A CA -1.528 50.645 52.037 0.227 0.000 0.698 57 A CB 0.755 19.852 19.000 0.163 0.000 1.289 57 A HN 0.131 nan 8.150 nan 0.000 0.404 58 P HA 0.378 nan 4.420 nan 0.000 0.267 58 P C 0.539 177.673 177.300 -0.277 0.000 1.200 58 P CA 1.693 64.479 63.100 -0.524 0.000 0.772 58 P CB 0.485 31.997 31.700 -0.312 0.000 0.855 59 G N 0.463 109.088 108.800 -0.291 0.000 2.721 59 G HA2 -0.064 3.817 3.960 -0.132 0.000 0.686 59 G HA3 -0.064 3.817 3.960 -0.132 0.000 0.686 59 G C -1.031 173.786 174.900 -0.138 0.000 1.236 59 G CA -0.755 44.242 45.100 -0.172 0.000 0.786 59 G HN 0.446 nan 8.290 nan 0.000 0.616 60 V N 2.188 122.040 119.914 -0.103 0.000 2.383 60 V HA 0.485 4.526 4.120 -0.132 0.000 0.275 60 V C 0.852 176.913 176.094 -0.055 0.000 1.036 60 V CA 0.297 62.562 62.300 -0.058 0.000 0.889 60 V CB 1.420 33.212 31.823 -0.052 0.000 0.985 60 V HN 0.854 nan 8.190 nan 0.000 0.459 61 Q N 2.467 122.242 119.800 -0.042 0.000 2.322 61 Q HA 0.341 4.602 4.340 -0.132 0.000 0.250 61 Q C 0.899 176.713 176.000 -0.310 0.000 0.853 61 Q CA 0.559 56.224 55.803 -0.230 0.000 0.951 61 Q CB 0.437 28.922 28.738 -0.421 0.000 1.114 61 Q HN 0.793 nan 8.270 nan 0.000 0.523 62 F N -0.879 119.108 119.950 0.063 0.000 2.557 62 F HA 0.311 4.759 4.527 -0.132 0.000 0.278 62 F C 0.810 176.761 175.800 0.252 0.000 1.051 62 F CA 0.146 58.244 58.000 0.163 0.000 1.357 62 F CB 0.442 39.482 39.000 0.067 0.000 1.104 62 F HN -0.116 nan 8.300 nan 0.000 0.654 63 M N 1.582 121.376 119.600 0.324 0.000 3.396 63 M HA 0.188 4.589 4.480 -0.132 0.000 0.255 63 M C -1.192 175.192 176.300 0.139 0.000 1.398 63 M CA -0.221 55.243 55.300 0.273 0.000 1.554 63 M CB -0.311 32.427 32.600 0.229 0.000 1.070 63 M HN 0.065 nan 8.290 nan 0.000 0.587 64 c N 0.563 119.191 118.600 0.046 0.000 2.330 64 c HA 0.489 4.979 4.570 -0.132 0.000 0.344 64 c C 1.925 175.921 174.090 -0.157 0.000 1.273 64 c CA -0.762 55.459 56.329 -0.180 0.000 1.879 64 c CB 0.590 42.801 42.510 -0.497 0.000 2.376 64 c HN 0.898 nan 8.230 nan 0.000 0.534 65 A N 1.898 124.672 122.820 -0.076 0.000 1.978 65 A HA -0.169 4.072 4.320 -0.132 0.000 0.220 65 A C 1.878 179.437 177.584 -0.042 0.000 1.170 65 A CA 1.739 53.761 52.037 -0.025 0.000 0.636 65 A CB -0.405 18.588 19.000 -0.012 0.000 0.810 65 A HN 0.930 nan 8.150 nan 0.000 0.448 66 E N -0.483 119.641 120.200 -0.127 0.000 2.209 66 E HA -0.180 4.090 4.350 -0.132 0.000 0.196 66 E C 1.642 178.251 176.600 0.014 0.000 0.993 66 E CA 1.286 57.634 56.400 -0.085 0.000 0.819 66 E CB -0.276 29.349 29.700 -0.126 0.000 0.745 66 E HN 0.739 nan 8.360 nan 0.000 0.477 67 H N -0.470 118.647 119.070 0.079 0.000 2.502 67 H HA 0.056 4.533 4.556 -0.132 0.000 0.283 67 H C 1.915 177.298 175.328 0.091 0.000 1.015 67 H CA 0.589 56.693 56.048 0.093 0.000 1.298 67 H CB -0.145 29.685 29.762 0.113 0.000 1.411 67 H HN 0.196 nan 8.280 nan 0.000 0.556 68 L N 0.601 121.928 121.223 0.174 0.000 2.083 68 L HA -0.143 4.118 4.340 -0.132 0.000 0.209 68 L C 2.762 179.696 176.870 0.106 0.000 1.083 68 L CA 1.648 56.565 54.840 0.128 0.000 0.752 68 L CB -0.658 41.454 42.059 0.089 0.000 0.899 68 L HN 0.372 nan 8.230 nan 0.000 0.433 69 E N 0.115 120.371 120.200 0.093 0.000 2.409 69 E HA -0.043 4.228 4.350 -0.132 0.000 0.198 69 E C 1.222 177.873 176.600 0.086 0.000 1.024 69 E CA 0.918 57.364 56.400 0.076 0.000 0.861 69 E CB -0.394 29.342 29.700 0.060 0.000 0.788 69 E HN 0.538 nan 8.360 nan 0.000 0.521 70 S N -0.777 114.990 115.700 0.112 0.000 2.686 70 S HA 0.583 4.974 4.470 -0.132 0.000 0.270 70 S C 1.056 175.720 174.600 0.106 0.000 1.194 70 S CA -0.450 57.816 58.200 0.109 0.000 0.990 70 S CB 1.353 64.632 63.200 0.132 0.000 1.029 70 S HN 0.649 nan 8.310 nan 0.000 0.560 71 G N -0.683 108.177 108.800 0.101 0.000 2.651 71 G HA2 0.430 4.311 3.960 -0.132 0.000 0.260 71 G HA3 0.430 4.311 3.960 -0.132 0.000 0.260 71 G C 1.263 176.241 174.900 0.129 0.000 1.216 71 G CA -0.182 44.979 45.100 0.100 0.000 0.913 71 G HN 0.794 nan 8.290 nan 0.000 0.535 72 L N -0.148 121.149 121.223 0.123 0.000 1.990 72 L HA -0.051 4.210 4.340 -0.132 0.000 0.213 72 L C 3.116 180.095 176.870 0.182 0.000 1.072 72 L CA 2.767 57.696 54.840 0.149 0.000 0.755 72 L CB -1.604 40.527 42.059 0.121 0.000 0.889 72 L HN 0.486 nan 8.230 nan 0.000 0.432 73 V N 0.258 120.273 119.914 0.169 0.000 2.283 73 V HA -0.183 3.858 4.120 -0.132 0.000 0.243 73 V C 3.298 179.641 176.094 0.415 0.000 1.039 73 V CA 2.617 65.074 62.300 0.262 0.000 1.016 73 V CB -1.011 30.939 31.823 0.213 0.000 0.650 73 V HN 0.833 nan 8.190 nan 0.000 0.449 74 K N 0.508 121.073 120.400 0.274 0.000 2.097 74 K HA -0.108 4.133 4.320 -0.132 0.000 0.206 74 K C 2.252 178.987 176.600 0.226 0.000 1.049 74 K CA 1.734 58.168 56.287 0.245 0.000 0.933 74 K CB -1.683 30.896 32.500 0.133 0.000 0.717 74 K HN 0.606 nan 8.250 nan 0.000 0.442 75 G N -0.130 108.786 108.800 0.194 0.000 2.422 75 G HA2 -0.142 3.738 3.960 -0.132 0.000 0.218 75 G HA3 -0.142 3.738 3.960 -0.132 0.000 0.218 75 G C 1.554 176.512 174.900 0.098 0.000 1.146 75 G CA 1.016 46.205 45.100 0.149 0.000 0.769 75 G HN 0.576 nan 8.290 nan 0.000 0.547 76 F N 1.017 120.970 119.950 0.005 0.000 2.046 76 F HA 0.004 4.453 4.527 -0.130 0.000 0.297 76 F C 2.262 177.939 175.800 -0.206 0.000 1.123 76 F CA 1.453 59.363 58.000 -0.150 0.000 1.199 76 F CB -0.362 38.489 39.000 -0.247 0.000 0.972 76 F HN 0.111 nan 8.300 nan 0.000 0.474 77 F N 0.834 120.726 119.950 -0.096 0.000 2.234 77 F HA -0.146 4.302 4.527 -0.132 0.000 0.299 77 F C 2.539 178.226 175.800 -0.188 0.000 1.087 77 F CA 1.511 59.396 58.000 -0.193 0.000 1.340 77 F CB -0.895 38.125 39.000 0.032 0.000 1.031 77 F HN 0.083 nan 8.300 nan 0.000 0.500 78 Q N -0.397 119.377 119.800 -0.042 0.000 2.167 78 Q HA -0.151 4.110 4.340 -0.132 0.000 0.202 78 Q C 2.270 178.020 176.000 -0.417 0.000 0.970 78 Q CA 1.637 57.316 55.803 -0.208 0.000 0.855 78 Q CB -0.282 28.271 28.738 -0.309 0.000 0.911 78 Q HN 0.429 nan 8.270 nan 0.000 0.438 79 S N -0.337 115.084 115.700 -0.465 0.000 2.603 79 S HA 0.058 4.449 4.470 -0.132 0.000 0.220 79 S C 1.547 176.267 174.600 0.200 0.000 0.967 79 S CA 0.178 58.296 58.200 -0.136 0.000 0.920 79 S CB -0.013 63.210 63.200 0.038 0.000 0.773 79 S HN 0.285 nan 8.310 nan 0.000 0.529 80 L N -0.150 121.087 121.223 0.022 0.000 2.567 80 L HA 0.358 4.618 4.340 -0.132 0.000 0.225 80 L C 0.795 177.951 176.870 0.477 0.000 1.119 80 L CA -0.166 54.769 54.840 0.159 0.000 0.871 80 L CB 0.045 42.023 42.059 -0.135 0.000 1.036 80 L HN 0.498 nan 8.230 nan 0.000 0.459 81 W N 3.057 124.481 121.300 0.207 0.000 2.529 81 W HA 0.333 4.913 4.660 -0.133 0.000 0.321 81 W C -2.447 174.029 176.519 -0.073 0.000 1.047 81 W CA -1.883 55.542 57.345 0.135 0.000 1.216 81 W CB 2.149 31.641 29.460 0.052 0.000 1.357 81 W HN -0.245 nan 8.180 nan 0.000 0.489 82 P HA 0.136 nan 4.420 nan 0.000 0.275 82 P C -0.695 176.410 177.300 -0.325 0.000 1.228 82 P CA 0.084 62.630 63.100 -0.923 0.000 0.786 82 P CB 1.683 32.815 31.700 -0.947 0.000 0.927 83 S N 0.468 116.013 115.700 -0.258 0.000 2.621 83 S HA 0.643 5.033 4.470 -0.132 0.000 0.302 83 S C -0.059 174.476 174.600 -0.109 0.000 1.093 83 S CA -0.626 57.527 58.200 -0.078 0.000 1.017 83 S CB 1.427 64.621 63.200 -0.010 0.000 1.077 83 S HN 0.642 nan 8.310 nan 0.000 0.517 84 A N 1.196 123.985 122.820 -0.052 0.000 2.462 84 A HA 0.315 4.556 4.320 -0.132 0.000 0.243 84 A C 1.377 178.926 177.584 -0.059 0.000 1.076 84 A CA -0.427 51.579 52.037 -0.052 0.000 0.773 84 A CB -0.201 18.784 19.000 -0.025 0.000 1.010 84 A HN 0.701 nan 8.150 nan 0.000 0.493 85 V N 2.432 122.308 119.914 -0.063 0.000 2.278 85 V HA -0.296 3.745 4.120 -0.132 0.000 0.251 85 V C 2.616 178.680 176.094 -0.050 0.000 1.062 85 V CA 2.526 64.789 62.300 -0.062 0.000 1.038 85 V CB -0.937 30.849 31.823 -0.062 0.000 0.646 85 V HN 1.037 nan 8.190 nan 0.000 0.447 86 E N 0.344 120.520 120.200 -0.039 0.000 2.331 86 E HA -0.220 4.051 4.350 -0.132 0.000 0.199 86 E C 1.035 177.618 176.600 -0.028 0.000 1.008 86 E CA 1.264 57.646 56.400 -0.030 0.000 0.843 86 E CB -0.562 29.125 29.700 -0.023 0.000 0.761 86 E HN 0.658 nan 8.360 nan 0.000 0.507 87 N N -0.099 118.582 118.700 -0.031 0.000 2.204 87 N HA 0.067 4.728 4.740 -0.132 0.000 0.219 87 N C -0.767 174.712 175.510 -0.051 0.000 1.151 87 N CA -0.033 53.000 53.050 -0.028 0.000 0.867 87 N CB 0.690 39.172 38.487 -0.009 0.000 1.043 87 N HN 0.088 nan 8.380 nan 0.000 0.516 88 c N 1.674 120.236 118.600 -0.063 0.000 2.455 88 c HA 0.358 4.849 4.570 -0.132 0.000 0.321 88 c C -0.029 174.017 174.090 -0.073 0.000 1.102 88 c CA -0.340 55.935 56.329 -0.089 0.000 1.413 88 c CB -0.974 41.484 42.510 -0.086 0.000 1.952 88 c HN 0.169 nan 8.230 nan 0.000 0.428 89 T N 8.209 122.718 114.554 -0.075 0.000 2.752 89 T HA 0.230 4.501 4.350 -0.132 0.000 0.295 89 T C -2.483 172.193 174.700 -0.041 0.000 0.923 89 T CA -0.323 61.746 62.100 -0.051 0.000 1.112 89 T CB 0.584 69.427 68.868 -0.041 0.000 0.884 89 T HN 0.551 nan 8.240 nan 0.000 0.525 90 P HA 0.064 nan 4.420 nan 0.000 0.260 90 P C -0.153 177.152 177.300 0.008 0.000 1.185 90 P CA -0.116 62.972 63.100 -0.020 0.000 0.763 90 P CB 0.239 31.914 31.700 -0.041 0.000 0.776 91 N N 2.772 121.498 118.700 0.044 0.000 2.817 91 N HA 0.176 4.836 4.740 -0.132 0.000 0.234 91 N C 1.507 177.094 175.510 0.128 0.000 1.066 91 N CA -0.227 52.875 53.050 0.087 0.000 0.926 91 N CB -0.273 38.279 38.487 0.108 0.000 1.176 91 N HN 0.353 nan 8.380 nan 0.000 0.506 92 G N 0.748 109.612 108.800 0.105 0.000 2.462 92 G HA2 -0.300 3.581 3.960 -0.132 0.000 0.220 92 G HA3 -0.300 3.581 3.960 -0.132 0.000 0.220 92 G C 1.271 176.289 174.900 0.198 0.000 1.121 92 G CA 0.894 46.072 45.100 0.130 0.000 0.758 92 G HN 0.714 nan 8.290 nan 0.000 0.559 93 H N -0.232 118.894 119.070 0.094 0.000 2.357 93 H HA 0.041 4.518 4.556 -0.132 0.000 0.301 93 H C 2.305 177.685 175.328 0.086 0.000 1.082 93 H CA 1.287 57.382 56.048 0.079 0.000 1.342 93 H CB -0.141 29.647 29.762 0.042 0.000 1.389 93 H HN 0.219 nan 8.280 nan 0.000 0.511 94 L N 0.079 121.365 121.223 0.105 0.000 2.046 94 L HA -0.163 4.098 4.340 -0.132 0.000 0.208 94 L C 2.380 179.269 176.870 0.031 0.000 1.077 94 L CA 1.863 56.730 54.840 0.045 0.000 0.747 94 L CB -1.022 41.126 42.059 0.148 0.000 0.896 94 L HN 0.548 nan 8.230 nan 0.000 0.432 95 W N 0.640 121.922 121.300 -0.030 0.000 2.317 95 W HA -0.313 4.269 4.660 -0.130 0.000 0.318 95 W C 2.120 178.618 176.519 -0.036 0.000 1.227 95 W CA 2.068 59.399 57.345 -0.024 0.000 1.269 95 W CB -0.393 29.070 29.460 0.005 0.000 1.155 95 W HN 0.354 nan 8.180 nan 0.000 0.484 96 N N 0.505 119.237 118.700 0.054 0.000 2.166 96 N HA -0.160 4.500 4.740 -0.132 0.000 0.186 96 N C 1.720 177.115 175.510 -0.191 0.000 1.019 96 N CA 1.859 54.885 53.050 -0.040 0.000 0.856 96 N CB -1.039 37.465 38.487 0.029 0.000 0.993 96 N HN 0.077 nan 8.380 nan 0.000 0.426 97 V N 1.576 121.312 119.914 -0.297 0.000 2.295 97 V HA -0.195 3.846 4.120 -0.132 0.000 0.246 97 V C 2.391 178.347 176.094 -0.230 0.000 1.049 97 V CA 1.254 63.387 62.300 -0.279 0.000 1.024 97 V CB -0.366 31.256 31.823 -0.335 0.000 0.648 97 V HN 0.236 nan 8.190 nan 0.000 0.447 98 M N -0.951 118.463 119.600 -0.309 0.000 2.086 98 M HA -0.147 4.254 4.480 -0.132 0.000 0.261 98 M C 2.255 178.440 176.300 -0.193 0.000 1.067 98 M CA 1.949 57.038 55.300 -0.352 0.000 1.116 98 M CB -1.164 31.167 32.600 -0.447 0.000 1.348 98 M HN 0.264 nan 8.290 nan 0.000 0.407 99 I N 0.518 120.885 120.570 -0.339 0.000 2.208 99 I HA -0.260 3.831 4.170 -0.132 0.000 0.245 99 I C 2.388 178.540 176.117 0.059 0.000 1.097 99 I CA 1.610 62.815 61.300 -0.159 0.000 1.363 99 I CB -0.718 37.119 38.000 -0.272 0.000 1.051 99 I HN 0.320 nan 8.210 nan 0.000 0.413 100 T N -0.380 114.191 114.554 0.027 0.000 2.812 100 T HA -0.064 4.207 4.350 -0.132 0.000 0.264 100 T C 1.947 176.742 174.700 0.158 0.000 1.042 100 T CA 1.270 63.431 62.100 0.102 0.000 1.140 100 T CB -0.870 68.023 68.868 0.042 0.000 0.870 100 T HN 0.520 nan 8.240 nan 0.000 0.445 101 G N 0.968 109.866 108.800 0.162 0.000 2.433 101 G HA2 -0.313 3.567 3.960 -0.132 0.000 0.216 101 G HA3 -0.313 3.567 3.960 -0.132 0.000 0.216 101 G C 1.302 176.413 174.900 0.352 0.000 1.186 101 G CA 1.369 46.650 45.100 0.303 0.000 0.779 101 G HN 0.592 nan 8.290 nan 0.000 0.543 102 H N 0.961 120.216 119.070 0.308 0.000 2.265 102 H HA -0.073 4.404 4.556 -0.132 0.000 0.293 102 H C 2.669 178.038 175.328 0.069 0.000 1.089 102 H CA 2.480 58.636 56.048 0.179 0.000 1.244 102 H CB -0.836 29.013 29.762 0.145 0.000 1.355 102 H HN 0.220 nan 8.280 nan 0.000 0.485 103 G N 0.339 109.029 108.800 -0.184 0.000 2.418 103 G HA2 -0.181 3.700 3.960 -0.132 0.000 0.217 103 G HA3 -0.181 3.700 3.960 -0.132 0.000 0.217 103 G C 1.990 176.765 174.900 -0.207 0.000 1.158 103 G CA 0.987 45.867 45.100 -0.367 0.000 0.771 103 G HN 0.487 nan 8.290 nan 0.000 0.545 104 I N 0.363 121.014 120.570 0.137 0.000 2.163 104 I HA -0.118 3.973 4.170 -0.132 0.000 0.240 104 I C 2.765 179.111 176.117 0.382 0.000 1.081 104 I CA 0.664 62.191 61.300 0.380 0.000 1.353 104 I CB -0.270 37.980 38.000 0.417 0.000 1.054 104 I HN 0.127 nan 8.210 nan 0.000 0.407 105 L N -0.325 121.076 121.223 0.297 0.000 2.013 105 L HA -0.288 3.973 4.340 -0.132 0.000 0.212 105 L C 2.742 179.696 176.870 0.141 0.000 1.073 105 L CA 1.318 56.345 54.840 0.311 0.000 0.753 105 L CB -0.569 41.553 42.059 0.106 0.000 0.890 105 L HN 0.314 nan 8.230 nan 0.000 0.432 106 M N -1.222 118.322 119.600 -0.093 0.000 2.099 106 M HA -0.156 4.244 4.480 -0.132 0.000 0.262 106 M C 2.260 178.376 176.300 -0.307 0.000 1.067 106 M CA 1.747 56.920 55.300 -0.212 0.000 1.124 106 M CB -0.785 31.593 32.600 -0.370 0.000 1.353 106 M HN 0.247 nan 8.290 nan 0.000 0.410 107 M N -1.673 117.634 119.600 -0.487 0.000 2.419 107 M HA -0.025 4.376 4.480 -0.132 0.000 0.264 107 M C 1.428 177.218 176.300 -0.851 0.000 1.082 107 M CA 1.219 56.044 55.300 -0.792 0.000 1.119 107 M CB -0.777 31.065 32.600 -1.263 0.000 1.398 107 M HN 0.133 nan 8.290 nan 0.000 0.453 108 F N -2.291 117.465 119.950 -0.322 0.000 2.711 108 F HA 0.172 4.620 4.527 -0.131 0.000 0.296 108 F C 1.092 176.489 175.800 -0.672 0.000 1.096 108 F CA 0.091 57.731 58.000 -0.599 0.000 1.280 108 F CB 0.154 38.558 39.000 -0.994 0.000 1.060 108 F HN -0.116 nan 8.300 nan 0.000 0.608 109 F N -1.558 118.527 119.950 0.224 0.000 2.724 109 F HA 0.347 4.794 4.527 -0.132 0.000 0.310 109 F C 0.929 176.874 175.800 0.241 0.000 1.107 109 F CA -0.135 58.063 58.000 0.330 0.000 1.218 109 F CB -0.028 39.192 39.000 0.366 0.000 1.042 109 F HN -0.277 nan 8.300 nan 0.000 0.540 110 V N -1.266 118.749 119.914 0.169 0.000 3.668 110 V HA -0.014 4.027 4.120 -0.132 0.000 0.199 110 V C 1.969 178.068 176.094 0.008 0.000 1.241 110 V CA 0.844 63.210 62.300 0.110 0.000 1.308 110 V CB -0.037 31.820 31.823 0.056 0.000 1.411 110 V HN -0.031 nan 8.190 nan 0.000 0.535 111 V N -0.748 119.122 119.914 -0.073 0.000 2.488 111 V HA -0.054 3.987 4.120 -0.132 0.000 0.246 111 V C 2.105 178.156 176.094 -0.072 0.000 1.046 111 V CA 1.865 64.114 62.300 -0.085 0.000 1.053 111 V CB -0.674 31.072 31.823 -0.130 0.000 0.679 111 V HN 0.463 nan 8.190 nan 0.000 0.458 112 I N 0.536 121.034 120.570 -0.119 0.000 2.202 112 I HA -0.039 4.051 4.170 -0.132 0.000 0.242 112 I C 0.045 176.122 176.117 -0.066 0.000 1.091 112 I CA 1.420 62.661 61.300 -0.099 0.000 1.368 112 I CB -1.548 36.343 38.000 -0.182 0.000 1.058 112 I HN 0.309 nan 8.210 nan 0.000 0.410 113 P HA -0.224 nan 4.420 nan 0.000 0.217 113 P C 1.312 178.586 177.300 -0.044 0.000 1.151 113 P CA 1.983 64.969 63.100 -0.191 0.000 0.849 113 P CB 0.001 31.398 31.700 -0.504 0.000 0.787 114 A N -1.488 121.327 122.820 -0.009 0.000 1.878 114 A HA -0.035 4.206 4.320 -0.132 0.000 0.213 114 A C 2.176 179.737 177.584 -0.039 0.000 1.192 114 A CA 0.980 52.999 52.037 -0.030 0.000 0.619 114 A CB -1.356 17.627 19.000 -0.027 0.000 0.837 114 A HN 0.078 nan 8.150 nan 0.000 0.446 115 L N -2.270 119.006 121.223 0.088 0.000 2.023 115 L HA -0.056 4.205 4.340 -0.132 0.000 0.205 115 L C 2.444 179.498 176.870 0.308 0.000 1.073 115 L CA 1.620 56.625 54.840 0.275 0.000 0.745 115 L CB -0.457 41.751 42.059 0.249 0.000 0.900 115 L HN 0.498 nan 8.230 nan 0.000 0.435 116 F N 0.265 120.218 119.950 0.006 0.000 2.104 116 F HA 0.053 4.499 4.527 -0.134 0.000 0.288 116 F C 2.265 177.959 175.800 -0.177 0.000 1.107 116 F CA 1.432 59.398 58.000 -0.056 0.000 1.208 116 F CB -0.713 38.220 39.000 -0.111 0.000 1.033 116 F HN -0.055 nan 8.300 nan 0.000 0.478 117 G N -0.527 108.085 108.800 -0.313 0.000 2.432 117 G HA2 -0.080 3.801 3.960 -0.132 0.000 0.219 117 G HA3 -0.080 3.801 3.960 -0.132 0.000 0.219 117 G C 1.658 176.219 174.900 -0.565 0.000 1.135 117 G CA 0.762 45.257 45.100 -1.008 0.000 0.767 117 G HN 0.645 nan 8.290 nan 0.000 0.550 118 G N 0.440 109.119 108.800 -0.202 0.000 2.658 118 G HA2 0.134 4.015 3.960 -0.132 0.000 0.217 118 G HA3 0.134 4.015 3.960 -0.132 0.000 0.217 118 G C 1.376 176.266 174.900 -0.016 0.000 1.319 118 G CA 0.382 45.429 45.100 -0.088 0.000 0.885 118 G HN 0.184 nan 8.290 nan 0.000 0.553 119 F N 2.147 122.217 119.950 0.201 0.000 2.234 119 F HA 0.094 4.543 4.527 -0.129 0.000 0.299 119 F C 2.854 178.894 175.800 0.401 0.000 1.087 119 F CA 0.514 58.695 58.000 0.301 0.000 1.340 119 F CB -0.898 38.307 39.000 0.342 0.000 1.031 119 F HN 0.212 nan 8.300 nan 0.000 0.500 120 G N 0.334 109.403 108.800 0.448 0.000 2.514 120 G HA2 -0.306 3.574 3.960 -0.132 0.000 0.217 120 G HA3 -0.306 3.574 3.960 -0.132 0.000 0.217 120 G C 1.766 176.679 174.900 0.020 0.000 1.198 120 G CA 1.117 46.285 45.100 0.113 0.000 0.780 120 G HN 0.251 nan 8.290 nan 0.000 0.565 121 N N -0.614 118.053 118.700 -0.056 0.000 2.166 121 N HA -0.100 4.561 4.740 -0.132 0.000 0.186 121 N C 1.854 177.429 175.510 0.108 0.000 1.019 121 N CA 0.973 54.020 53.050 -0.004 0.000 0.856 121 N CB -0.333 38.161 38.487 0.012 0.000 0.993 121 N HN 0.446 nan 8.380 nan 0.000 0.426 122 Y N -0.240 120.025 120.300 -0.060 0.000 2.153 122 Y HA -0.066 4.405 4.550 -0.133 0.000 0.289 122 Y C 1.605 177.239 175.900 -0.443 0.000 1.127 122 Y CA 1.524 59.425 58.100 -0.331 0.000 1.131 122 Y CB -0.242 37.840 38.460 -0.630 0.000 0.995 122 Y HN -0.092 nan 8.280 nan 0.000 0.505 123 F N -2.217 117.782 119.950 0.082 0.000 2.622 123 F HA -0.004 4.445 4.527 -0.131 0.000 0.288 123 F C 2.268 177.915 175.800 -0.255 0.000 1.120 123 F CA 0.300 58.161 58.000 -0.232 0.000 1.423 123 F CB -0.409 38.073 39.000 -0.863 0.000 1.127 123 F HN -0.007 nan 8.300 nan 0.000 0.588 124 M N 1.459 121.134 119.600 0.125 0.000 2.065 124 M HA -0.118 4.283 4.480 -0.132 0.000 0.259 124 M C -0.950 175.364 176.300 0.024 0.000 1.069 124 M CA 2.303 57.651 55.300 0.081 0.000 1.110 124 M CB -1.651 30.965 32.600 0.026 0.000 1.328 124 M HN -0.087 nan 8.290 nan 0.000 0.405 125 P HA -0.130 nan 4.420 nan 0.000 0.215 125 P C 1.790 179.073 177.300 -0.028 0.000 1.157 125 P CA 1.379 64.344 63.100 -0.226 0.000 0.868 125 P CB -0.312 30.956 31.700 -0.719 0.000 0.788 126 L N -2.027 119.273 121.223 0.129 0.000 2.083 126 L HA -0.200 4.061 4.340 -0.132 0.000 0.209 126 L C 2.511 179.635 176.870 0.424 0.000 1.083 126 L CA 1.493 56.575 54.840 0.403 0.000 0.752 126 L CB -1.303 40.955 42.059 0.331 0.000 0.899 126 L HN 0.082 nan 8.230 nan 0.000 0.433 127 H N 0.228 119.430 119.070 0.220 0.000 2.421 127 H HA -0.070 4.407 4.556 -0.131 0.000 0.298 127 H C 1.972 177.338 175.328 0.063 0.000 1.087 127 H CA 1.454 57.639 56.048 0.228 0.000 1.330 127 H CB -0.124 29.852 29.762 0.356 0.000 1.388 127 H HN 0.504 nan 8.280 nan 0.000 0.526 128 I N -4.563 116.041 120.570 0.056 0.000 4.018 128 I HA 0.385 4.476 4.170 -0.132 0.000 0.337 128 I C 1.184 177.110 176.117 -0.319 0.000 1.327 128 I CA 0.473 61.677 61.300 -0.161 0.000 1.100 128 I CB 0.503 38.339 38.000 -0.274 0.000 1.025 128 I HN 0.155 nan 8.210 nan 0.000 0.396 129 G N 1.929 110.450 108.800 -0.465 0.000 2.198 129 G HA2 -0.164 3.717 3.960 -0.132 0.000 0.257 129 G HA3 -0.164 3.717 3.960 -0.132 0.000 0.257 129 G C 0.221 174.574 174.900 -0.912 0.000 1.042 129 G CA 0.076 44.497 45.100 -1.132 0.000 0.791 129 G HN 0.928 nan 8.290 nan 0.000 0.502 130 A N -0.244 122.290 122.820 -0.477 0.000 2.310 130 A HA 0.854 5.095 4.320 -0.132 0.000 0.299 130 A C -0.458 177.104 177.584 -0.037 0.000 1.147 130 A CA -0.994 50.888 52.037 -0.258 0.000 0.818 130 A CB 1.210 20.067 19.000 -0.237 0.000 1.096 130 A HN 0.060 nan 8.150 nan 0.000 0.495 131 P HA 0.056 nan 4.420 nan 0.000 0.220 131 P C -0.024 177.303 177.300 0.044 0.000 1.152 131 P CA 1.203 64.378 63.100 0.125 0.000 0.812 131 P CB 0.358 32.094 31.700 0.061 0.000 0.792 132 D N -3.482 116.872 120.400 -0.076 0.000 2.692 132 D HA 0.211 4.772 4.640 -0.132 0.000 0.290 132 D C -0.846 175.348 176.300 -0.176 0.000 1.281 132 D CA -0.572 53.375 54.000 -0.088 0.000 0.804 132 D CB 0.666 41.484 40.800 0.030 0.000 1.331 132 D HN -0.346 nan 8.370 nan 0.000 0.432 133 M N 1.348 120.870 119.600 -0.129 0.000 2.243 133 M HA 0.293 4.694 4.480 -0.132 0.000 0.341 133 M C 1.383 177.590 176.300 -0.155 0.000 1.130 133 M CA -0.033 55.192 55.300 -0.125 0.000 1.162 133 M CB 0.697 33.276 32.600 -0.036 0.000 1.497 133 M HN 0.629 nan 8.290 nan 0.000 0.456 134 A N 3.128 125.778 122.820 -0.284 0.000 1.986 134 A HA -0.135 4.106 4.320 -0.132 0.000 0.220 134 A C 0.568 177.770 177.584 -0.636 0.000 1.171 134 A CA 1.764 53.462 52.037 -0.565 0.000 0.640 134 A CB -0.386 18.075 19.000 -0.899 0.000 0.811 134 A HN 0.635 nan 8.150 nan 0.000 0.451 135 F N -1.652 118.311 119.950 0.022 0.000 2.531 135 F HA 0.365 4.813 4.527 -0.132 0.000 0.333 135 F C -2.073 173.759 175.800 0.053 0.000 1.292 135 F CA -2.571 55.451 58.000 0.037 0.000 1.184 135 F CB 0.947 39.973 39.000 0.043 0.000 1.426 135 F HN -0.011 nan 8.300 nan 0.000 0.559 136 P HA -0.201 nan 4.420 nan 0.000 0.216 136 P C 1.352 178.749 177.300 0.162 0.000 1.153 136 P CA 1.936 65.118 63.100 0.137 0.000 0.858 136 P CB 0.263 32.016 31.700 0.090 0.000 0.789 137 R N -1.203 119.395 120.500 0.163 0.000 2.115 137 R HA 0.029 4.290 4.340 -0.132 0.000 0.226 137 R C 2.410 178.817 176.300 0.179 0.000 1.100 137 R CA 1.134 57.328 56.100 0.158 0.000 0.980 137 R CB -1.289 29.086 30.300 0.124 0.000 0.875 137 R HN 0.235 nan 8.270 nan 0.000 0.445 138 M N 0.911 120.622 119.600 0.184 0.000 2.159 138 M HA -0.142 4.259 4.480 -0.132 0.000 0.263 138 M C 1.700 178.130 176.300 0.217 0.000 1.063 138 M CA 1.604 57.008 55.300 0.174 0.000 1.110 138 M CB -0.066 32.623 32.600 0.148 0.000 1.374 138 M HN 0.071 nan 8.290 nan 0.000 0.411 139 N N 1.039 119.877 118.700 0.229 0.000 2.142 139 N HA -0.200 4.460 4.740 -0.132 0.000 0.186 139 N C 1.435 177.117 175.510 0.286 0.000 1.023 139 N CA 1.346 54.544 53.050 0.246 0.000 0.852 139 N CB -0.647 37.961 38.487 0.202 0.000 0.998 139 N HN 0.556 nan 8.380 nan 0.000 0.424 140 N N 0.557 119.416 118.700 0.265 0.000 2.223 140 N HA -0.157 4.504 4.740 -0.132 0.000 0.185 140 N C 1.768 177.542 175.510 0.440 0.000 1.016 140 N CA 0.598 53.844 53.050 0.326 0.000 0.863 140 N CB -0.053 38.624 38.487 0.318 0.000 0.983 140 N HN 0.184 nan 8.380 nan 0.000 0.429 141 L N 1.463 122.902 121.223 0.360 0.000 2.027 141 L HA -0.109 4.151 4.340 -0.132 0.000 0.206 141 L C 2.687 179.763 176.870 0.344 0.000 1.074 141 L CA 1.961 57.012 54.840 0.352 0.000 0.745 141 L CB -1.145 41.052 42.059 0.229 0.000 0.898 141 L HN 0.253 nan 8.230 nan 0.000 0.433 142 S N -1.232 114.660 115.700 0.321 0.000 2.365 142 S HA -0.368 4.023 4.470 -0.132 0.000 0.225 142 S C 2.162 176.997 174.600 0.392 0.000 1.039 142 S CA 1.709 60.121 58.200 0.353 0.000 1.033 142 S CB -1.474 61.952 63.200 0.377 0.000 0.887 142 S HN 0.581 nan 8.310 nan 0.000 0.447 143 Y N 1.053 121.471 120.300 0.198 0.000 2.128 143 Y HA -0.136 4.331 4.550 -0.138 0.000 0.284 143 Y C 2.007 177.819 175.900 -0.147 0.000 1.154 143 Y CA 1.538 59.531 58.100 -0.178 0.000 1.149 143 Y CB -0.805 37.367 38.460 -0.479 0.000 0.976 143 Y HN 0.334 nan 8.280 nan 0.000 0.505 144 W N 0.051 121.371 121.300 0.034 0.000 2.425 144 W HA -0.133 4.519 4.660 -0.014 0.000 0.277 144 W C 2.171 178.648 176.519 -0.070 0.000 1.231 144 W CA 0.929 58.228 57.345 -0.077 0.000 1.248 144 W CB -0.234 29.258 29.460 0.053 0.000 1.117 144 W HN 0.074 nan 8.180 nan 0.000 0.568 145 L N -1.094 120.270 121.223 0.236 0.000 2.109 145 L HA -0.221 4.040 4.340 -0.132 0.000 0.207 145 L C 2.375 179.383 176.870 0.230 0.000 1.086 145 L CA 0.970 55.938 54.840 0.213 0.000 0.760 145 L CB -1.065 41.128 42.059 0.223 0.000 0.910 145 L HN 0.071 nan 8.230 nan 0.000 0.437 146 Y N 0.943 121.281 120.300 0.063 0.000 2.145 146 Y HA -0.211 4.262 4.550 -0.129 0.000 0.286 146 Y C 2.326 178.217 175.900 -0.016 0.000 1.145 146 Y CA 1.478 59.636 58.100 0.098 0.000 1.148 146 Y CB -0.723 37.781 38.460 0.073 0.000 0.981 146 Y HN -0.139 nan 8.280 nan 0.000 0.507 147 V N 0.954 120.548 119.914 -0.534 0.000 2.343 147 V HA -0.288 3.753 4.120 -0.132 0.000 0.247 147 V C 2.799 178.756 176.094 -0.229 0.000 1.051 147 V CA 1.844 63.803 62.300 -0.569 0.000 1.036 147 V CB -1.770 29.699 31.823 -0.590 0.000 0.654 147 V HN 0.554 nan 8.190 nan 0.000 0.451 148 A N 0.724 123.513 122.820 -0.052 0.000 1.877 148 A HA -0.082 4.158 4.320 -0.132 0.000 0.216 148 A C 2.453 180.036 177.584 -0.003 0.000 1.186 148 A CA 1.951 53.992 52.037 0.007 0.000 0.620 148 A CB -1.320 17.721 19.000 0.067 0.000 0.822 148 A HN 0.518 nan 8.150 nan 0.000 0.443 149 G N -0.998 107.848 108.800 0.078 0.000 2.440 149 G HA2 -0.199 3.682 3.960 -0.132 0.000 0.218 149 G HA3 -0.199 3.682 3.960 -0.132 0.000 0.218 149 G C 1.573 176.252 174.900 -0.369 0.000 1.154 149 G CA 1.723 46.909 45.100 0.144 0.000 0.767 149 G HN 0.438 nan 8.290 nan 0.000 0.552 150 T N 1.214 115.430 114.554 -0.564 0.000 2.746 150 T HA -0.111 4.160 4.350 -0.132 0.000 0.267 150 T C 2.836 177.267 174.700 -0.448 0.000 1.039 150 T CA 1.545 63.139 62.100 -0.843 0.000 1.142 150 T CB -0.289 68.238 68.868 -0.569 0.000 0.866 150 T HN 0.268 nan 8.240 nan 0.000 0.444 151 S N 1.238 116.784 115.700 -0.256 0.000 2.368 151 S HA 0.033 4.424 4.470 -0.132 0.000 0.225 151 S C 2.022 176.584 174.600 -0.064 0.000 1.030 151 S CA 0.871 58.998 58.200 -0.122 0.000 0.999 151 S CB -0.439 62.717 63.200 -0.074 0.000 0.844 151 S HN 0.351 nan 8.310 nan 0.000 0.459 152 L N 0.861 122.052 121.223 -0.055 0.000 2.093 152 L HA -0.093 4.168 4.340 -0.132 0.000 0.208 152 L C 2.777 179.653 176.870 0.010 0.000 1.085 152 L CA 1.073 55.931 54.840 0.030 0.000 0.755 152 L CB -0.671 41.451 42.059 0.105 0.000 0.904 152 L HN 0.328 nan 8.230 nan 0.000 0.435 153 A N -0.311 122.447 122.820 -0.103 0.000 1.877 153 A HA -0.162 4.079 4.320 -0.132 0.000 0.216 153 A C 2.307 179.879 177.584 -0.020 0.000 1.186 153 A CA 1.805 53.796 52.037 -0.076 0.000 0.620 153 A CB -0.827 18.041 19.000 -0.220 0.000 0.822 153 A HN 0.189 nan 8.150 nan 0.000 0.443 154 V N -0.130 119.762 119.914 -0.036 0.000 2.343 154 V HA -0.247 3.794 4.120 -0.132 0.000 0.247 154 V C 3.064 179.270 176.094 0.187 0.000 1.051 154 V CA 1.921 64.273 62.300 0.086 0.000 1.036 154 V CB -1.229 30.649 31.823 0.090 0.000 0.654 154 V HN 0.625 nan 8.190 nan 0.000 0.451 155 A N 0.796 123.712 122.820 0.160 0.000 1.908 155 A HA -0.243 3.997 4.320 -0.132 0.000 0.218 155 A C 2.564 180.249 177.584 0.168 0.000 1.181 155 A CA 2.376 54.544 52.037 0.219 0.000 0.627 155 A CB -0.874 18.216 19.000 0.150 0.000 0.818 155 A HN 0.713 nan 8.150 nan 0.000 0.445 156 S N 0.277 116.027 115.700 0.084 0.000 2.400 156 S HA -0.157 4.233 4.470 -0.132 0.000 0.232 156 S C 1.781 176.349 174.600 -0.054 0.000 1.025 156 S CA 1.581 59.796 58.200 0.025 0.000 0.993 156 S CB -0.861 62.349 63.200 0.017 0.000 0.808 156 S HN 0.479 nan 8.310 nan 0.000 0.478 157 L N -0.984 120.161 121.223 -0.130 0.000 2.265 157 L HA 0.055 4.316 4.340 -0.132 0.000 0.215 157 L C 1.566 178.099 176.870 -0.562 0.000 1.117 157 L CA 1.105 55.713 54.840 -0.387 0.000 0.782 157 L CB -0.504 41.209 42.059 -0.577 0.000 0.914 157 L HN 0.307 nan 8.230 nan 0.000 0.441 158 F N -0.501 119.453 119.950 0.008 0.000 2.678 158 F HA 0.363 4.811 4.527 -0.133 0.000 0.305 158 F C 1.195 176.983 175.800 -0.020 0.000 1.090 158 F CA -0.509 57.493 58.000 0.003 0.000 1.272 158 F CB -0.122 38.884 39.000 0.011 0.000 1.060 158 F HN -0.147 nan 8.300 nan 0.000 0.576 159 A N 0.653 123.496 122.820 0.039 0.000 2.293 159 A HA 0.611 4.852 4.320 -0.132 0.000 0.302 159 A C -2.429 175.010 177.584 -0.241 0.000 1.119 159 A CA -1.745 50.219 52.037 -0.122 0.000 0.823 159 A CB -0.037 18.847 19.000 -0.192 0.000 1.097 159 A HN -0.130 nan 8.150 nan 0.000 0.491 160 P HA 0.207 nan 4.420 nan 0.000 0.261 160 P C 0.473 177.604 177.300 -0.281 0.000 1.183 160 P CA 1.001 63.932 63.100 -0.282 0.000 0.761 160 P CB 0.748 32.275 31.700 -0.288 0.000 0.785 161 G N 2.123 110.839 108.800 -0.140 0.000 3.195 161 G HA2 0.590 4.471 3.960 -0.132 0.000 0.217 161 G HA3 0.590 4.471 3.960 -0.132 0.000 0.217 161 G C -0.137 174.714 174.900 -0.082 0.000 1.166 161 G CA -0.381 44.672 45.100 -0.078 0.000 0.812 161 G HN 0.573 nan 8.290 nan 0.000 0.617 162 G N -0.530 108.256 108.800 -0.024 0.000 2.554 162 G HA2 0.320 4.201 3.960 -0.132 0.000 0.238 162 G HA3 0.320 4.201 3.960 -0.132 0.000 0.238 162 G C 0.446 175.092 174.900 -0.425 0.000 1.259 162 G CA 0.542 45.567 45.100 -0.125 0.000 0.843 162 G HN 0.858 nan 8.290 nan 0.000 0.582 163 N N -0.282 118.265 118.700 -0.255 0.000 2.710 163 N HA -0.253 4.408 4.740 -0.132 0.000 0.249 163 N C 1.391 176.773 175.510 -0.214 0.000 1.059 163 N CA 1.700 54.612 53.050 -0.229 0.000 0.720 163 N CB -1.177 37.163 38.487 -0.245 0.000 0.983 163 N HN 1.904 nan 8.380 nan 0.000 0.544 164 G N -0.795 107.904 108.800 -0.168 0.000 2.198 164 G HA2 -0.335 3.546 3.960 -0.132 0.000 0.260 164 G HA3 -0.335 3.546 3.960 -0.132 0.000 0.260 164 G C 0.055 174.887 174.900 -0.114 0.000 1.025 164 G CA 1.094 46.128 45.100 -0.110 0.000 0.769 164 G HN 0.619 nan 8.290 nan 0.000 0.507 165 Q N -1.518 118.172 119.800 -0.184 0.000 2.962 165 Q HA 0.769 5.029 4.340 -0.132 0.000 0.282 165 Q C 0.481 176.455 176.000 -0.043 0.000 1.058 165 Q CA -1.129 54.611 55.803 -0.104 0.000 0.854 165 Q CB 1.206 29.874 28.738 -0.117 0.000 1.441 165 Q HN 0.276 nan 8.270 nan 0.000 0.497 166 L N 0.251 121.498 121.223 0.041 0.000 2.399 166 L HA 0.659 4.920 4.340 -0.132 0.000 0.265 166 L C 0.558 177.484 176.870 0.092 0.000 1.089 166 L CA -0.333 54.523 54.840 0.027 0.000 0.802 166 L CB 0.665 42.732 42.059 0.013 0.000 1.180 166 L HN 0.891 nan 8.230 nan 0.000 0.454 167 G N 1.215 110.014 108.800 -0.001 0.000 2.733 167 G HA2 -0.173 3.708 3.960 -0.132 0.000 0.686 167 G HA3 -0.173 3.708 3.960 -0.132 0.000 0.686 167 G C -0.645 174.276 174.900 0.035 0.000 1.373 167 G CA -0.782 44.296 45.100 -0.037 0.000 0.838 167 G HN 0.558 nan 8.290 nan 0.000 0.588 168 S N 0.279 115.959 115.700 -0.033 0.000 2.422 168 S HA 0.612 5.003 4.470 -0.132 0.000 0.308 168 S C 0.799 175.351 174.600 -0.081 0.000 1.097 168 S CA 0.196 58.390 58.200 -0.011 0.000 1.099 168 S CB 1.776 64.966 63.200 -0.017 0.000 0.976 168 S HN 1.741 nan 8.310 nan 0.000 0.471 169 G N 2.346 111.096 108.800 -0.084 0.000 3.714 169 G HA2 0.443 4.324 3.960 -0.132 0.000 0.276 169 G HA3 0.443 4.324 3.960 -0.132 0.000 0.276 169 G C 0.522 175.415 174.900 -0.012 0.000 1.058 169 G CA -0.532 44.488 45.100 -0.133 0.000 1.700 169 G HN 0.858 nan 8.290 nan 0.000 0.605 170 I N -1.665 118.898 120.570 -0.012 0.000 4.338 170 I HA 0.509 4.600 4.170 -0.132 0.000 0.329 170 I C 0.676 176.776 176.117 -0.028 0.000 1.378 170 I CA -0.104 61.191 61.300 -0.009 0.000 1.170 170 I CB 0.393 38.378 38.000 -0.024 0.000 1.206 170 I HN 0.404 nan 8.210 nan 0.000 0.432 171 G N 2.377 111.178 108.800 0.002 0.000 2.722 171 G HA2 -0.275 3.606 3.960 -0.132 0.000 0.686 171 G HA3 -0.275 3.606 3.960 -0.132 0.000 0.686 171 G C 0.036 174.942 174.900 0.009 0.000 1.282 171 G CA -0.041 45.064 45.100 0.008 0.000 0.817 171 G HN 0.651 nan 8.290 nan 0.000 0.605 172 W N 1.343 122.615 121.300 -0.047 0.000 2.468 172 W HA -0.006 4.574 4.660 -0.134 0.000 0.262 172 W C 1.388 177.898 176.519 -0.016 0.000 1.241 172 W CA 1.912 59.249 57.345 -0.012 0.000 1.232 172 W CB -1.071 28.372 29.460 -0.028 0.000 1.124 172 W HN 1.098 nan 8.180 nan 0.000 0.597 173 V N -0.414 119.024 119.914 -0.795 0.000 3.647 173 V HA 0.171 4.212 4.120 -0.132 0.000 0.279 173 V C 1.419 177.366 176.094 -0.245 0.000 1.314 173 V CA 0.100 61.898 62.300 -0.836 0.000 1.125 173 V CB -1.212 29.928 31.823 -1.138 0.000 0.907 173 V HN 0.196 nan 8.190 nan 0.000 0.434 174 L N -1.532 119.583 121.223 -0.180 0.000 3.678 174 L HA -0.224 4.037 4.340 -0.132 0.000 0.425 174 L C -0.078 176.678 176.870 -0.190 0.000 1.240 174 L CA 0.069 54.833 54.840 -0.126 0.000 0.876 174 L CB -2.656 39.334 42.059 -0.113 0.000 1.766 174 L HN 0.326 nan 8.230 nan 0.000 0.917 175 Y N 1.255 121.386 120.300 -0.281 0.000 2.717 175 Y HA 0.164 4.634 4.550 -0.132 0.000 0.330 175 Y C -1.165 174.498 175.900 -0.396 0.000 1.217 175 Y CA -2.077 55.819 58.100 -0.341 0.000 1.506 175 Y CB -0.138 38.257 38.460 -0.109 0.000 1.268 175 Y HN 0.105 nan 8.280 nan 0.000 0.561 176 P HA 0.245 nan 4.420 nan 0.000 0.280 176 P C -2.321 174.916 177.300 -0.105 0.000 1.272 176 P CA -2.094 60.846 63.100 -0.267 0.000 0.819 176 P CB 1.166 32.640 31.700 -0.377 0.000 1.122 177 P HA 0.030 nan 4.420 nan 0.000 0.242 177 P C 1.447 178.743 177.300 -0.007 0.000 1.197 177 P CA 0.116 63.217 63.100 0.001 0.000 0.765 177 P CB -0.143 31.578 31.700 0.036 0.000 0.936 178 L N 0.854 122.074 121.223 -0.004 0.000 1.989 178 L HA -0.203 4.057 4.340 -0.132 0.000 0.211 178 L C 2.264 179.122 176.870 -0.020 0.000 1.071 178 L CA 2.496 57.340 54.840 0.007 0.000 0.749 178 L CB -1.320 40.759 42.059 0.032 0.000 0.890 178 L HN 0.015 nan 8.230 nan 0.000 0.431 179 S N -1.981 113.679 115.700 -0.066 0.000 2.382 179 S HA -0.191 4.200 4.470 -0.132 0.000 0.228 179 S C 1.862 176.419 174.600 -0.071 0.000 1.027 179 S CA 1.388 59.535 58.200 -0.090 0.000 0.991 179 S CB -1.595 61.502 63.200 -0.172 0.000 0.823 179 S HN 0.675 nan 8.310 nan 0.000 0.469 180 T N 0.298 114.815 114.554 -0.060 0.000 3.055 180 T HA 0.081 4.352 4.350 -0.132 0.000 0.265 180 T C 1.702 176.398 174.700 -0.005 0.000 1.111 180 T CA 0.900 62.991 62.100 -0.016 0.000 1.118 180 T CB -0.441 68.449 68.868 0.037 0.000 0.909 180 T HN 0.623 nan 8.240 nan 0.000 0.501 181 S N -0.290 115.406 115.700 -0.006 0.000 2.539 181 S HA 0.268 4.659 4.470 -0.132 0.000 0.221 181 S C 0.233 174.831 174.600 -0.003 0.000 0.987 181 S CA -0.597 57.603 58.200 0.000 0.000 0.929 181 S CB -0.144 63.062 63.200 0.009 0.000 0.832 181 S HN 0.472 nan 8.310 nan 0.000 0.492 182 E N 2.964 123.160 120.200 -0.006 0.000 2.415 182 E HA 0.264 4.535 4.350 -0.132 0.000 0.260 182 E C -0.178 176.414 176.600 -0.013 0.000 1.016 182 E CA 0.044 56.444 56.400 -0.000 0.000 0.924 182 E CB 0.345 30.049 29.700 0.007 0.000 0.961 182 E HN 0.329 nan 8.360 nan 0.000 0.459 183 S N 2.815 118.503 115.700 -0.020 0.000 2.572 183 S HA 0.399 4.790 4.470 -0.132 0.000 0.262 183 S C 0.685 175.261 174.600 -0.041 0.000 1.375 183 S CA -0.030 58.152 58.200 -0.029 0.000 0.996 183 S CB 0.301 63.475 63.200 -0.044 0.000 0.892 183 S HN 1.034 nan 8.310 nan 0.000 0.562 184 G N 0.904 109.686 108.800 -0.030 0.000 2.645 184 G HA2 -0.256 3.625 3.960 -0.132 0.000 0.246 184 G HA3 -0.256 3.625 3.960 -0.132 0.000 0.246 184 G C -0.024 174.875 174.900 -0.003 0.000 1.322 184 G CA 0.646 45.713 45.100 -0.055 0.000 0.898 184 G HN 1.352 nan 8.290 nan 0.000 0.573 185 Y N -2.258 118.034 120.300 -0.014 0.000 2.500 185 Y HA 0.606 5.077 4.550 -0.132 0.000 0.246 185 Y C 2.406 178.287 175.900 -0.030 0.000 1.146 185 Y CA 0.839 58.921 58.100 -0.030 0.000 1.230 185 Y CB -0.312 38.141 38.460 -0.013 0.000 1.214 185 Y HN 0.814 nan 8.280 nan 0.000 0.526 186 S N 1.037 116.599 115.700 -0.229 0.000 2.380 186 S HA -0.258 4.133 4.470 -0.132 0.000 0.229 186 S C 1.784 176.354 174.600 -0.049 0.000 1.043 186 S CA 2.641 60.768 58.200 -0.122 0.000 1.038 186 S CB -0.734 62.387 63.200 -0.131 0.000 0.872 186 S HN 0.667 nan 8.310 nan 0.000 0.456 187 T N 1.768 116.289 114.554 -0.055 0.000 2.915 187 T HA -0.059 4.212 4.350 -0.132 0.000 0.269 187 T C 1.356 175.983 174.700 -0.122 0.000 1.071 187 T CA 1.347 63.405 62.100 -0.070 0.000 1.132 187 T CB -0.413 68.416 68.868 -0.064 0.000 0.878 187 T HN 0.532 nan 8.240 nan 0.000 0.479 188 D N 1.380 121.700 120.400 -0.134 0.000 2.103 188 D HA 0.026 4.587 4.640 -0.132 0.000 0.199 188 D C 2.275 178.296 176.300 -0.465 0.000 0.978 188 D CA 0.666 54.462 54.000 -0.339 0.000 0.829 188 D CB -0.303 40.335 40.800 -0.270 0.000 0.981 188 D HN 0.311 nan 8.370 nan 0.000 0.464 189 L N 1.151 122.309 121.223 -0.108 0.000 2.051 189 L HA -0.238 4.023 4.340 -0.132 0.000 0.214 189 L C 2.653 179.544 176.870 0.034 0.000 1.076 189 L CA 1.435 56.318 54.840 0.072 0.000 0.758 189 L CB -0.575 41.578 42.059 0.157 0.000 0.890 189 L HN 0.003 nan 8.230 nan 0.000 0.433 190 A N -0.145 122.660 122.820 -0.025 0.000 1.969 190 A HA -0.137 4.104 4.320 -0.132 0.000 0.218 190 A C 2.180 179.724 177.584 -0.066 0.000 1.169 190 A CA 1.302 53.330 52.037 -0.014 0.000 0.635 190 A CB -0.506 18.483 19.000 -0.018 0.000 0.810 190 A HN 0.365 nan 8.150 nan 0.000 0.445 191 I N -1.501 118.973 120.570 -0.159 0.000 2.202 191 I HA -0.200 3.891 4.170 -0.132 0.000 0.242 191 I C 2.147 178.222 176.117 -0.071 0.000 1.091 191 I CA 1.019 62.191 61.300 -0.214 0.000 1.368 191 I CB -0.358 37.483 38.000 -0.265 0.000 1.058 191 I HN 0.259 nan 8.210 nan 0.000 0.410 192 F N 1.227 121.216 119.950 0.065 0.000 2.095 192 F HA -0.260 4.193 4.527 -0.124 0.000 0.298 192 F C 2.672 178.537 175.800 0.108 0.000 1.104 192 F CA 1.055 59.140 58.000 0.141 0.000 1.232 192 F CB -1.580 37.495 39.000 0.125 0.000 0.987 192 F HN 0.042 nan 8.300 nan 0.000 0.475 193 A N 0.174 123.153 122.820 0.266 0.000 1.892 193 A HA -0.194 4.047 4.320 -0.132 0.000 0.218 193 A C 2.470 180.213 177.584 0.265 0.000 1.188 193 A CA 2.443 54.634 52.037 0.256 0.000 0.631 193 A CB -1.326 17.793 19.000 0.199 0.000 0.822 193 A HN 0.198 nan 8.150 nan 0.000 0.447 194 V N -0.685 119.218 119.914 -0.019 0.000 2.427 194 V HA -0.285 3.756 4.120 -0.132 0.000 0.248 194 V C 2.266 178.236 176.094 -0.207 0.000 1.051 194 V CA 2.351 64.427 62.300 -0.374 0.000 1.048 194 V CB -1.169 30.235 31.823 -0.699 0.000 0.666 194 V HN 0.746 nan 8.190 nan 0.000 0.456 195 H N -0.320 118.745 119.070 -0.009 0.000 2.290 195 H HA -0.138 4.339 4.556 -0.133 0.000 0.298 195 H C 2.285 177.654 175.328 0.068 0.000 1.087 195 H CA 1.889 57.960 56.048 0.038 0.000 1.291 195 H CB -0.128 29.705 29.762 0.118 0.000 1.369 195 H HN 0.266 nan 8.280 nan 0.000 0.492 196 L N -0.446 120.929 121.223 0.254 0.000 2.079 196 L HA -0.236 4.025 4.340 -0.132 0.000 0.210 196 L C 2.735 179.745 176.870 0.234 0.000 1.081 196 L CA 1.233 56.206 54.840 0.222 0.000 0.752 196 L CB -0.479 41.715 42.059 0.226 0.000 0.896 196 L HN 0.281 nan 8.230 nan 0.000 0.433 197 S N 0.216 116.049 115.700 0.223 0.000 2.348 197 S HA -0.148 4.243 4.470 -0.132 0.000 0.221 197 S C 2.082 176.751 174.600 0.115 0.000 1.033 197 S CA 1.482 59.777 58.200 0.158 0.000 1.010 197 S CB -0.569 62.542 63.200 -0.148 0.000 0.891 197 S HN 0.492 nan 8.310 nan 0.000 0.442 198 G N 0.952 109.792 108.800 0.066 0.000 2.440 198 G HA2 -0.092 3.789 3.960 -0.132 0.000 0.218 198 G HA3 -0.092 3.789 3.960 -0.132 0.000 0.218 198 G C 1.702 176.664 174.900 0.103 0.000 1.154 198 G CA 1.179 46.322 45.100 0.072 0.000 0.767 198 G HN 0.753 nan 8.290 nan 0.000 0.552 199 A N 0.732 123.627 122.820 0.124 0.000 1.851 199 A HA -0.091 4.150 4.320 -0.132 0.000 0.216 199 A C 2.645 180.318 177.584 0.148 0.000 1.195 199 A CA 2.552 54.663 52.037 0.123 0.000 0.622 199 A CB -1.214 17.860 19.000 0.122 0.000 0.831 199 A HN 0.506 nan 8.150 nan 0.000 0.444 200 S N -0.349 115.465 115.700 0.190 0.000 2.381 200 S HA -0.220 4.171 4.470 -0.132 0.000 0.230 200 S C 2.190 176.920 174.600 0.217 0.000 1.052 200 S CA 2.408 60.753 58.200 0.242 0.000 1.068 200 S CB -0.486 62.900 63.200 0.311 0.000 0.918 200 S HN 0.609 nan 8.310 nan 0.000 0.448 201 S N 0.657 116.450 115.700 0.155 0.000 2.406 201 S HA 0.118 4.509 4.470 -0.132 0.000 0.228 201 S C 1.752 176.417 174.600 0.109 0.000 1.020 201 S CA 1.080 59.345 58.200 0.107 0.000 0.965 201 S CB -0.344 62.860 63.200 0.006 0.000 0.798 201 S HN 0.515 nan 8.310 nan 0.000 0.488 202 I N 1.609 122.240 120.570 0.101 0.000 2.163 202 I HA -0.171 3.920 4.170 -0.132 0.000 0.240 202 I C 2.106 178.284 176.117 0.101 0.000 1.081 202 I CA 1.047 62.397 61.300 0.084 0.000 1.353 202 I CB -0.351 37.693 38.000 0.074 0.000 1.054 202 I HN 0.228 nan 8.210 nan 0.000 0.407 203 L N 0.235 121.531 121.223 0.122 0.000 1.990 203 L HA -0.225 4.036 4.340 -0.132 0.000 0.213 203 L C 2.699 179.667 176.870 0.164 0.000 1.072 203 L CA 1.919 56.837 54.840 0.130 0.000 0.755 203 L CB -1.609 40.540 42.059 0.149 0.000 0.889 203 L HN 0.377 nan 8.230 nan 0.000 0.432 204 G N -0.460 108.467 108.800 0.210 0.000 2.469 204 G HA2 -0.292 3.589 3.960 -0.132 0.000 0.219 204 G HA3 -0.292 3.589 3.960 -0.132 0.000 0.219 204 G C 1.730 176.776 174.900 0.243 0.000 1.150 204 G CA 1.019 46.258 45.100 0.231 0.000 0.763 204 G HN 0.516 nan 8.290 nan 0.000 0.561 205 A N 0.752 123.732 122.820 0.267 0.000 1.930 205 A HA 0.097 4.338 4.320 -0.132 0.000 0.217 205 A C 2.366 179.961 177.584 0.019 0.000 1.175 205 A CA 1.213 53.354 52.037 0.174 0.000 0.627 205 A CB -0.220 18.804 19.000 0.039 0.000 0.815 205 A HN 0.307 nan 8.150 nan 0.000 0.443 206 I N 0.329 120.927 120.570 0.047 0.000 2.127 206 I HA -0.239 3.852 4.170 -0.132 0.000 0.241 206 I C 2.263 178.470 176.117 0.150 0.000 1.075 206 I CA 1.648 62.985 61.300 0.061 0.000 1.334 206 I CB -1.477 36.574 38.000 0.084 0.000 1.040 206 I HN 0.327 nan 8.210 nan 0.000 0.405 207 N N 0.841 119.659 118.700 0.197 0.000 2.104 207 N HA -0.159 4.502 4.740 -0.132 0.000 0.190 207 N C 1.851 177.395 175.510 0.057 0.000 1.024 207 N CA 1.372 54.538 53.050 0.193 0.000 0.853 207 N CB -0.106 38.489 38.487 0.180 0.000 1.008 207 N HN 0.203 nan 8.380 nan 0.000 0.424 208 M N -0.002 119.613 119.600 0.025 0.000 2.099 208 M HA -0.078 4.323 4.480 -0.132 0.000 0.262 208 M C 2.218 178.565 176.300 0.078 0.000 1.067 208 M CA 0.963 56.262 55.300 -0.000 0.000 1.124 208 M CB -0.880 31.692 32.600 -0.045 0.000 1.353 208 M HN 0.108 nan 8.290 nan 0.000 0.410 209 I N 0.075 120.661 120.570 0.026 0.000 2.142 209 I HA -0.268 3.823 4.170 -0.132 0.000 0.240 209 I C 2.428 178.646 176.117 0.169 0.000 1.078 209 I CA 1.424 62.769 61.300 0.076 0.000 1.343 209 I CB -0.662 37.140 38.000 -0.330 0.000 1.046 209 I HN 0.300 nan 8.210 nan 0.000 0.405 210 T N -0.059 114.549 114.554 0.091 0.000 2.652 210 T HA -0.199 4.072 4.350 -0.132 0.000 0.267 210 T C 1.914 176.599 174.700 -0.025 0.000 1.039 210 T CA 2.173 64.304 62.100 0.052 0.000 1.153 210 T CB -0.505 68.376 68.868 0.023 0.000 0.863 210 T HN 0.367 nan 8.240 nan 0.000 0.428 211 T N 1.704 116.222 114.554 -0.060 0.000 2.652 211 T HA -0.095 4.175 4.350 -0.132 0.000 0.267 211 T C 1.563 176.225 174.700 -0.064 0.000 1.039 211 T CA 1.287 63.327 62.100 -0.100 0.000 1.153 211 T CB -0.622 68.181 68.868 -0.109 0.000 0.863 211 T HN 0.361 nan 8.240 nan 0.000 0.428 212 F N 1.047 120.908 119.950 -0.148 0.000 2.161 212 F HA -0.008 4.439 4.527 -0.133 0.000 0.300 212 F C 1.875 177.508 175.800 -0.278 0.000 1.089 212 F CA 1.128 58.976 58.000 -0.254 0.000 1.282 212 F CB -0.197 38.616 39.000 -0.311 0.000 1.010 212 F HN 0.077 nan 8.300 nan 0.000 0.485 213 L N -0.609 120.645 121.223 0.051 0.000 2.168 213 L HA -0.081 4.180 4.340 -0.132 0.000 0.203 213 L C 1.687 178.518 176.870 -0.065 0.000 1.078 213 L CA 0.752 55.604 54.840 0.021 0.000 0.780 213 L CB -0.471 41.695 42.059 0.178 0.000 0.939 213 L HN 0.048 nan 8.230 nan 0.000 0.451 214 N N -0.672 117.986 118.700 -0.069 0.000 2.388 214 N HA 0.093 4.753 4.740 -0.132 0.000 0.176 214 N C 1.123 176.555 175.510 -0.130 0.000 1.062 214 N CA 0.775 53.774 53.050 -0.086 0.000 0.895 214 N CB 0.438 38.881 38.487 -0.074 0.000 1.018 214 N HN 0.282 nan 8.380 nan 0.000 0.456 215 M N 0.074 119.571 119.600 -0.172 0.000 2.596 215 M HA 0.240 4.641 4.480 -0.132 0.000 0.364 215 M C -0.360 175.798 176.300 -0.237 0.000 1.158 215 M CA -0.244 54.944 55.300 -0.187 0.000 0.940 215 M CB 1.001 33.491 32.600 -0.183 0.000 1.388 215 M HN -0.217 nan 8.290 nan 0.000 0.522 216 R N 1.598 121.933 120.500 -0.276 0.000 2.537 216 R HA 0.404 4.665 4.340 -0.132 0.000 0.280 216 R C 0.365 176.513 176.300 -0.253 0.000 1.058 216 R CA -0.197 55.715 56.100 -0.313 0.000 1.057 216 R CB 0.642 30.720 30.300 -0.370 0.000 0.973 216 R HN 0.272 nan 8.270 nan 0.000 0.438 217 A N 5.943 128.596 122.820 -0.280 0.000 2.498 217 A HA 0.173 4.413 4.320 -0.132 0.000 0.239 217 A C -1.875 175.603 177.584 -0.176 0.000 1.068 217 A CA -1.203 50.687 52.037 -0.246 0.000 0.766 217 A CB -0.299 18.506 19.000 -0.326 0.000 1.003 217 A HN 0.475 nan 8.150 nan 0.000 0.497 218 P HA 0.073 nan 4.420 nan 0.000 0.259 218 P C 1.059 178.306 177.300 -0.088 0.000 1.163 218 P CA 1.835 64.878 63.100 -0.095 0.000 0.760 218 P CB 0.284 31.942 31.700 -0.070 0.000 0.762 219 G N 2.680 111.433 108.800 -0.079 0.000 2.308 219 G HA2 -0.289 3.592 3.960 -0.132 0.000 0.221 219 G HA3 -0.289 3.592 3.960 -0.132 0.000 0.221 219 G C 0.162 175.015 174.900 -0.078 0.000 1.032 219 G CA 0.093 45.154 45.100 -0.065 0.000 0.623 219 G HN 0.588 nan 8.290 nan 0.000 0.506 220 M N 3.479 123.010 119.600 -0.115 0.000 2.429 220 M HA 0.578 4.979 4.480 -0.132 0.000 0.334 220 M C 0.380 176.590 176.300 -0.149 0.000 1.560 220 M CA 0.567 55.784 55.300 -0.139 0.000 1.291 220 M CB 0.123 32.605 32.600 -0.197 0.000 1.754 220 M HN 0.129 nan 8.290 nan 0.000 0.456 221 T N 5.820 120.316 114.554 -0.097 0.000 2.907 221 T HA 0.296 4.567 4.350 -0.132 0.000 0.284 221 T C 1.676 176.330 174.700 -0.077 0.000 1.004 221 T CA -0.742 61.309 62.100 -0.082 0.000 1.063 221 T CB 1.058 69.917 68.868 -0.014 0.000 0.992 221 T HN 0.637 nan 8.240 nan 0.000 0.483 222 M N 1.529 121.059 119.600 -0.117 0.000 2.146 222 M HA -0.176 4.225 4.480 -0.132 0.000 0.256 222 M C 1.531 178.012 176.300 0.303 0.000 1.075 222 M CA 2.103 57.397 55.300 -0.010 0.000 1.082 222 M CB -1.180 31.420 32.600 0.001 0.000 1.355 222 M HN 0.713 nan 8.290 nan 0.000 0.402 223 H N -0.641 118.624 119.070 0.324 0.000 2.547 223 H HA 0.084 4.561 4.556 -0.132 0.000 0.266 223 H C 1.835 177.252 175.328 0.148 0.000 0.988 223 H CA 0.975 57.228 56.048 0.341 0.000 1.147 223 H CB -0.037 29.842 29.762 0.194 0.000 1.365 223 H HN 0.514 nan 8.280 nan 0.000 0.589 224 K N 0.750 121.263 120.400 0.187 0.000 2.402 224 K HA 0.279 4.520 4.320 -0.132 0.000 0.204 224 K C 0.251 176.901 176.600 0.083 0.000 1.056 224 K CA -0.046 56.257 56.287 0.027 0.000 1.069 224 K CB 0.074 32.567 32.500 -0.011 0.000 0.888 224 K HN 0.032 nan 8.250 nan 0.000 0.546 225 V N 3.380 123.425 119.914 0.217 0.000 2.614 225 V HA 0.220 4.261 4.120 -0.132 0.000 0.291 225 V C -2.384 173.989 176.094 0.465 0.000 1.049 225 V CA -1.888 60.510 62.300 0.163 0.000 1.038 225 V CB 1.530 33.242 31.823 -0.186 0.000 0.980 225 V HN 0.314 nan 8.190 nan 0.000 0.481 226 P HA 0.172 nan 4.420 nan 0.000 0.271 226 P C 0.973 178.737 177.300 0.772 0.000 1.218 226 P CA -0.149 63.274 63.100 0.538 0.000 0.780 226 P CB 0.592 32.543 31.700 0.418 0.000 0.901 227 L N 1.522 123.226 121.223 0.803 0.000 2.043 227 L HA -0.236 4.025 4.340 -0.132 0.000 0.212 227 L C 2.171 179.480 176.870 0.731 0.000 1.075 227 L CA 1.646 56.919 54.840 0.721 0.000 0.752 227 L CB -0.678 41.706 42.059 0.541 0.000 0.891 227 L HN 0.369 nan 8.230 nan 0.000 0.432 228 F N 0.771 121.131 119.950 0.684 0.000 2.095 228 F HA -0.294 4.153 4.527 -0.133 0.000 0.298 228 F C 2.424 178.484 175.800 0.432 0.000 1.104 228 F CA 1.396 59.633 58.000 0.396 0.000 1.232 228 F CB -0.363 38.709 39.000 0.121 0.000 0.987 228 F HN 0.021 nan 8.300 nan 0.000 0.475 229 A N -0.593 122.522 122.820 0.491 0.000 1.902 229 A HA -0.227 4.013 4.320 -0.132 0.000 0.217 229 A C 2.185 179.941 177.584 0.287 0.000 1.181 229 A CA 1.638 53.864 52.037 0.314 0.000 0.623 229 A CB -1.723 17.523 19.000 0.410 0.000 0.818 229 A HN 0.667 nan 8.150 nan 0.000 0.443 230 W N 0.974 122.492 121.300 0.364 0.000 2.333 230 W HA -0.249 4.332 4.660 -0.131 0.000 0.316 230 W C 3.095 179.713 176.519 0.165 0.000 1.215 230 W CA 2.315 59.816 57.345 0.260 0.000 1.278 230 W CB -0.252 29.355 29.460 0.244 0.000 1.154 230 W HN 0.501 nan 8.180 nan 0.000 0.486 231 S N -0.103 115.830 115.700 0.389 0.000 2.383 231 S HA -0.215 4.176 4.470 -0.132 0.000 0.229 231 S C 1.704 176.378 174.600 0.124 0.000 1.030 231 S CA 1.413 59.760 58.200 0.246 0.000 1.002 231 S CB -0.769 62.574 63.200 0.239 0.000 0.829 231 S HN 0.118 nan 8.310 nan 0.000 0.467 232 I N 0.704 121.254 120.570 -0.033 0.000 2.394 232 I HA -0.018 4.073 4.170 -0.132 0.000 0.251 232 I C 2.210 178.399 176.117 0.119 0.000 1.136 232 I CA 0.947 62.236 61.300 -0.019 0.000 1.425 232 I CB -1.308 36.530 38.000 -0.270 0.000 1.079 232 I HN 0.309 nan 8.210 nan 0.000 0.425 233 F N 1.749 121.618 119.950 -0.136 0.000 2.084 233 F HA -0.146 4.301 4.527 -0.133 0.000 0.296 233 F C 2.472 178.295 175.800 0.038 0.000 1.111 233 F CA 1.457 59.282 58.000 -0.292 0.000 1.224 233 F CB -0.630 37.786 39.000 -0.972 0.000 0.991 233 F HN -0.197 nan 8.300 nan 0.000 0.471 234 V N -0.023 119.970 119.914 0.131 0.000 2.332 234 V HA -0.337 3.704 4.120 -0.132 0.000 0.248 234 V C 2.362 178.525 176.094 0.116 0.000 1.055 234 V CA 2.428 64.816 62.300 0.146 0.000 1.038 234 V CB -1.256 30.703 31.823 0.225 0.000 0.651 234 V HN 0.441 nan 8.190 nan 0.000 0.450 235 T N 0.358 114.975 114.554 0.105 0.000 2.720 235 T HA -0.192 4.079 4.350 -0.132 0.000 0.268 235 T C 2.047 176.724 174.700 -0.038 0.000 1.037 235 T CA 1.666 63.791 62.100 0.041 0.000 1.144 235 T CB -0.449 68.458 68.868 0.065 0.000 0.864 235 T HN 0.592 nan 8.240 nan 0.000 0.444 236 A N 0.105 122.942 122.820 0.028 0.000 1.978 236 A HA -0.102 4.139 4.320 -0.132 0.000 0.220 236 A C 2.043 179.507 177.584 -0.200 0.000 1.170 236 A CA 1.276 53.276 52.037 -0.061 0.000 0.636 236 A CB -1.015 17.962 19.000 -0.038 0.000 0.810 236 A HN 0.701 nan 8.150 nan 0.000 0.448 237 W N 0.120 121.343 121.300 -0.127 0.000 2.407 237 W HA -0.037 4.546 4.660 -0.129 0.000 0.305 237 W C 2.079 178.605 176.519 0.011 0.000 1.196 237 W CA 0.867 58.148 57.345 -0.108 0.000 1.311 237 W CB -0.331 29.010 29.460 -0.199 0.000 1.135 237 W HN 0.198 nan 8.180 nan 0.000 0.514 238 L N -0.109 121.292 121.223 0.297 0.000 2.079 238 L HA -0.262 3.999 4.340 -0.132 0.000 0.210 238 L C 2.102 179.134 176.870 0.270 0.000 1.081 238 L CA 1.293 56.350 54.840 0.362 0.000 0.752 238 L CB -1.144 41.045 42.059 0.218 0.000 0.896 238 L HN 0.078 nan 8.230 nan 0.000 0.433 239 I N -0.104 120.519 120.570 0.088 0.000 2.179 239 I HA -0.309 3.782 4.170 -0.132 0.000 0.242 239 I C 2.573 178.759 176.117 0.116 0.000 1.088 239 I CA 1.382 62.707 61.300 0.042 0.000 1.357 239 I CB -0.239 37.680 38.000 -0.135 0.000 1.051 239 I HN 0.246 nan 8.210 nan 0.000 0.409 240 L N -0.096 121.189 121.223 0.104 0.000 2.083 240 L HA -0.230 4.030 4.340 -0.132 0.000 0.209 240 L C 2.509 179.480 176.870 0.168 0.000 1.083 240 L CA 1.042 55.950 54.840 0.113 0.000 0.752 240 L CB -0.310 41.801 42.059 0.086 0.000 0.899 240 L HN 0.309 nan 8.230 nan 0.000 0.433 241 L N -0.506 120.848 121.223 0.218 0.000 2.102 241 L HA 0.020 4.281 4.340 -0.132 0.000 0.202 241 L C 2.537 179.621 176.870 0.356 0.000 1.076 241 L CA 1.920 56.884 54.840 0.206 0.000 0.761 241 L CB -0.681 41.353 42.059 -0.040 0.000 0.921 241 L HN 0.080 nan 8.230 nan 0.000 0.444 242 A N -0.725 122.378 122.820 0.471 0.000 1.872 242 A HA -0.076 4.165 4.320 -0.132 0.000 0.214 242 A C 2.097 179.933 177.584 0.421 0.000 1.187 242 A CA 1.413 53.749 52.037 0.500 0.000 0.614 242 A CB -0.730 18.499 19.000 0.382 0.000 0.826 242 A HN 0.378 nan 8.150 nan 0.000 0.442 243 L N -0.332 121.067 121.223 0.294 0.000 2.093 243 L HA -0.057 4.204 4.340 -0.132 0.000 0.208 243 L C -0.519 176.386 176.870 0.059 0.000 1.085 243 L CA 1.899 56.823 54.840 0.139 0.000 0.755 243 L CB -2.239 39.889 42.059 0.115 0.000 0.904 243 L HN 0.221 nan 8.230 nan 0.000 0.435 244 P HA -0.086 nan 4.420 nan 0.000 0.217 244 P C 2.154 179.486 177.300 0.053 0.000 1.150 244 P CA 0.837 63.980 63.100 0.072 0.000 0.832 244 P CB 0.130 31.878 31.700 0.080 0.000 0.787 245 V N -0.022 119.952 119.914 0.100 0.000 2.255 245 V HA -0.245 3.796 4.120 -0.132 0.000 0.247 245 V C 2.421 178.503 176.094 -0.021 0.000 1.051 245 V CA 1.826 64.172 62.300 0.077 0.000 1.018 245 V CB -1.408 30.560 31.823 0.242 0.000 0.641 245 V HN 0.058 nan 8.190 nan 0.000 0.445 246 L N 1.072 122.235 121.223 -0.101 0.000 2.043 246 L HA -0.188 4.073 4.340 -0.132 0.000 0.212 246 L C 2.418 179.145 176.870 -0.238 0.000 1.075 246 L CA 2.520 57.146 54.840 -0.356 0.000 0.752 246 L CB -0.930 40.532 42.059 -0.995 0.000 0.891 246 L HN 0.236 nan 8.230 nan 0.000 0.432 247 A N -0.616 122.133 122.820 -0.118 0.000 1.933 247 A HA -0.049 4.191 4.320 -0.132 0.000 0.218 247 A C 2.303 179.948 177.584 0.101 0.000 1.175 247 A CA 1.536 53.603 52.037 0.051 0.000 0.628 247 A CB -1.556 17.540 19.000 0.160 0.000 0.814 247 A HN 0.567 nan 8.150 nan 0.000 0.444 248 G N -0.369 108.442 108.800 0.018 0.000 2.524 248 G HA2 -0.021 3.860 3.960 -0.132 0.000 0.215 248 G HA3 -0.021 3.860 3.960 -0.132 0.000 0.215 248 G C 1.847 176.740 174.900 -0.012 0.000 1.239 248 G CA 1.812 46.906 45.100 -0.010 0.000 0.798 248 G HN 0.909 nan 8.290 nan 0.000 0.557 249 A N 1.328 124.120 122.820 -0.047 0.000 1.923 249 A HA -0.255 3.986 4.320 -0.132 0.000 0.222 249 A C 2.472 180.145 177.584 0.147 0.000 1.258 249 A CA 2.670 54.701 52.037 -0.010 0.000 0.670 249 A CB -0.725 18.116 19.000 -0.264 0.000 0.834 249 A HN 0.998 nan 8.150 nan 0.000 0.470 250 I N -4.024 116.568 120.570 0.037 0.000 3.059 250 I HA -0.003 4.088 4.170 -0.132 0.000 0.270 250 I C 1.930 178.102 176.117 0.092 0.000 1.238 250 I CA 1.628 62.941 61.300 0.022 0.000 1.478 250 I CB -0.586 37.291 38.000 -0.204 0.000 1.097 250 I HN 0.095 nan 8.210 nan 0.000 0.455 251 T N 1.490 116.145 114.554 0.168 0.000 2.857 251 T HA 0.041 4.312 4.350 -0.132 0.000 0.266 251 T C 1.921 176.742 174.700 0.202 0.000 1.048 251 T CA 1.627 63.870 62.100 0.239 0.000 1.139 251 T CB -0.198 68.803 68.868 0.222 0.000 0.874 251 T HN 0.318 nan 8.240 nan 0.000 0.455 252 M N 0.763 120.441 119.600 0.129 0.000 2.108 252 M HA -0.039 4.362 4.480 -0.132 0.000 0.261 252 M C 2.173 178.698 176.300 0.376 0.000 1.066 252 M CA 1.579 56.941 55.300 0.104 0.000 1.107 252 M CB -0.774 31.710 32.600 -0.193 0.000 1.356 252 M HN 0.205 nan 8.290 nan 0.000 0.406 253 L N -0.283 121.173 121.223 0.388 0.000 2.046 253 L HA -0.210 4.051 4.340 -0.132 0.000 0.208 253 L C 2.492 179.456 176.870 0.157 0.000 1.077 253 L CA 0.762 55.754 54.840 0.253 0.000 0.747 253 L CB -0.648 41.445 42.059 0.057 0.000 0.896 253 L HN 0.272 nan 8.230 nan 0.000 0.432 254 L N -0.240 121.074 121.223 0.152 0.000 2.093 254 L HA -0.165 4.096 4.340 -0.132 0.000 0.208 254 L C 2.748 179.722 176.870 0.173 0.000 1.085 254 L CA 2.226 57.136 54.840 0.117 0.000 0.755 254 L CB -0.542 41.624 42.059 0.178 0.000 0.904 254 L HN 0.431 nan 8.230 nan 0.000 0.435 255 T N -4.937 109.807 114.554 0.315 0.000 2.857 255 T HA -0.114 4.157 4.350 -0.132 0.000 0.266 255 T C 1.606 176.442 174.700 0.228 0.000 1.048 255 T CA 1.083 63.431 62.100 0.414 0.000 1.139 255 T CB -0.531 68.620 68.868 0.471 0.000 0.874 255 T HN 0.209 nan 8.240 nan 0.000 0.455 256 D N 1.298 121.823 120.400 0.210 0.000 2.178 256 D HA 0.012 4.573 4.640 -0.132 0.000 0.201 256 D C 2.451 178.781 176.300 0.050 0.000 0.980 256 D CA 0.867 54.941 54.000 0.124 0.000 0.842 256 D CB -0.167 40.744 40.800 0.186 0.000 0.948 256 D HN 0.446 nan 8.370 nan 0.000 0.472 257 R N -0.188 120.324 120.500 0.019 0.000 2.075 257 R HA 0.129 4.390 4.340 -0.132 0.000 0.226 257 R C 1.381 177.602 176.300 -0.132 0.000 1.114 257 R CA 0.844 56.916 56.100 -0.047 0.000 0.972 257 R CB 0.108 30.373 30.300 -0.059 0.000 0.869 257 R HN 0.205 nan 8.270 nan 0.000 0.437 258 N N -0.884 117.654 118.700 -0.270 0.000 2.317 258 N HA 0.050 4.711 4.740 -0.132 0.000 0.199 258 N C -0.118 175.023 175.510 -0.614 0.000 1.145 258 N CA 0.488 53.204 53.050 -0.556 0.000 0.882 258 N CB 0.734 38.658 38.487 -0.938 0.000 1.113 258 N HN 0.065 nan 8.380 nan 0.000 0.486 259 F N 0.592 120.566 119.950 0.039 0.000 2.881 259 F HA 0.415 4.862 4.527 -0.134 0.000 0.343 259 F C 1.407 177.207 175.800 0.000 0.000 1.233 259 F CA -0.895 57.121 58.000 0.027 0.000 1.262 259 F CB 0.370 39.396 39.000 0.043 0.000 0.980 259 F HN -0.044 nan 8.300 nan 0.000 0.506 260 G N 0.895 109.747 108.800 0.087 0.000 2.225 260 G HA2 -0.376 3.505 3.960 -0.132 0.000 0.272 260 G HA3 -0.376 3.505 3.960 -0.132 0.000 0.272 260 G C 0.647 175.536 174.900 -0.018 0.000 0.996 260 G CA 0.928 46.046 45.100 0.030 0.000 0.710 260 G HN 0.563 nan 8.290 nan 0.000 0.522 261 T N -2.441 112.099 114.554 -0.023 0.000 2.748 261 T HA 0.512 4.783 4.350 -0.132 0.000 0.304 261 T C 0.931 175.506 174.700 -0.209 0.000 1.041 261 T CA 0.901 62.877 62.100 -0.205 0.000 1.033 261 T CB 1.576 70.249 68.868 -0.325 0.000 0.995 261 T HN 1.225 nan 8.240 nan 0.000 0.536 262 T N -1.695 112.638 114.554 -0.367 0.000 3.823 262 T HA 0.315 4.586 4.350 -0.132 0.000 0.261 262 T C 0.485 175.024 174.700 -0.268 0.000 0.983 262 T CA -0.689 61.281 62.100 -0.217 0.000 1.151 262 T CB -0.862 67.927 68.868 -0.131 0.000 1.062 262 T HN 0.396 nan 8.240 nan 0.000 0.542 263 F N 0.959 120.717 119.950 -0.320 0.000 2.161 263 F HA 0.160 4.608 4.527 -0.132 0.000 0.300 263 F C 1.171 176.618 175.800 -0.588 0.000 1.089 263 F CA 1.100 58.730 58.000 -0.615 0.000 1.282 263 F CB -0.362 37.941 39.000 -1.160 0.000 1.010 263 F HN 0.415 nan 8.300 nan 0.000 0.485 264 F N -1.210 118.863 119.950 0.205 0.000 2.724 264 F HA 0.276 4.723 4.527 -0.133 0.000 0.310 264 F C 0.023 175.859 175.800 0.059 0.000 1.107 264 F CA -0.627 57.443 58.000 0.117 0.000 1.218 264 F CB -0.353 38.694 39.000 0.078 0.000 1.042 264 F HN -0.250 nan 8.300 nan 0.000 0.540 265 Q N 1.181 121.065 119.800 0.140 0.000 2.348 265 Q HA 0.323 4.584 4.340 -0.132 0.000 0.265 265 Q C -2.151 173.882 176.000 0.055 0.000 0.998 265 Q CA -2.271 53.583 55.803 0.086 0.000 0.831 265 Q CB 1.525 30.292 28.738 0.048 0.000 1.251 265 Q HN 0.033 nan 8.270 nan 0.000 0.456 266 P HA -0.194 nan 4.420 nan 0.000 0.218 266 P C 1.289 178.605 177.300 0.027 0.000 1.148 266 P CA 1.552 64.680 63.100 0.047 0.000 0.822 266 P CB 0.291 32.021 31.700 0.049 0.000 0.784 267 S N -1.605 114.108 115.700 0.020 0.000 2.515 267 S HA 0.032 4.423 4.470 -0.132 0.000 0.231 267 S C 1.849 176.447 174.600 -0.003 0.000 0.987 267 S CA 0.993 59.199 58.200 0.010 0.000 0.936 267 S CB -1.280 61.925 63.200 0.009 0.000 0.766 267 S HN 0.213 nan 8.310 nan 0.000 0.528 268 G N -0.486 108.307 108.800 -0.011 0.000 3.393 268 G HA2 0.491 4.372 3.960 -0.132 0.000 0.255 268 G HA3 0.491 4.372 3.960 -0.132 0.000 0.255 268 G C 0.904 175.783 174.900 -0.035 0.000 1.097 268 G CA -0.065 45.015 45.100 -0.034 0.000 0.780 268 G HN 1.265 nan 8.290 nan 0.000 0.540 269 G N -0.946 107.849 108.800 -0.010 0.000 2.157 269 G HA2 -0.022 3.859 3.960 -0.132 0.000 0.239 269 G HA3 -0.022 3.859 3.960 -0.132 0.000 0.239 269 G C 0.794 175.703 174.900 0.016 0.000 0.982 269 G CA 0.171 45.272 45.100 0.001 0.000 0.650 269 G HN 1.039 nan 8.290 nan 0.000 0.527 270 G N -0.665 108.147 108.800 0.021 0.000 2.606 270 G HA2 0.467 4.347 3.960 -0.132 0.000 0.252 270 G HA3 0.467 4.347 3.960 -0.132 0.000 0.252 270 G C -0.744 174.226 174.900 0.117 0.000 1.206 270 G CA 0.524 45.661 45.100 0.062 0.000 0.861 270 G HN 0.325 nan 8.290 nan 0.000 0.561 271 D N 0.197 120.709 120.400 0.186 0.000 2.542 271 D HA 0.378 4.939 4.640 -0.132 0.000 0.252 271 D C -1.758 174.717 176.300 0.292 0.000 1.222 271 D CA -2.079 52.040 54.000 0.198 0.000 0.895 271 D CB 2.267 43.172 40.800 0.176 0.000 1.207 271 D HN -0.043 nan 8.370 nan 0.000 0.558 272 P HA -0.115 nan 4.420 nan 0.000 0.218 272 P C 1.507 178.827 177.300 0.034 0.000 1.148 272 P CA 0.461 63.634 63.100 0.121 0.000 0.822 272 P CB 0.460 32.182 31.700 0.036 0.000 0.784 273 V N -0.483 119.467 119.914 0.059 0.000 2.720 273 V HA -0.202 3.839 4.120 -0.132 0.000 0.256 273 V C 2.305 178.458 176.094 0.098 0.000 1.082 273 V CA 1.253 63.561 62.300 0.013 0.000 1.101 273 V CB -1.152 30.700 31.823 0.049 0.000 0.693 273 V HN 0.085 nan 8.190 nan 0.000 0.479 274 L N -0.123 121.245 121.223 0.242 0.000 2.046 274 L HA -0.205 4.056 4.340 -0.132 0.000 0.208 274 L C 2.282 179.298 176.870 0.243 0.000 1.077 274 L CA 2.223 57.258 54.840 0.325 0.000 0.747 274 L CB -0.946 41.341 42.059 0.380 0.000 0.896 274 L HN 0.468 nan 8.230 nan 0.000 0.432 275 Y N 0.205 120.486 120.300 -0.031 0.000 2.165 275 Y HA -0.321 4.149 4.550 -0.133 0.000 0.286 275 Y C 2.581 178.300 175.900 -0.301 0.000 1.155 275 Y CA 2.267 60.113 58.100 -0.423 0.000 1.164 275 Y CB -0.291 37.443 38.460 -1.209 0.000 0.978 275 Y HN 0.385 nan 8.280 nan 0.000 0.513 276 Q N -0.943 118.710 119.800 -0.245 0.000 2.061 276 Q HA -0.262 3.998 4.340 -0.132 0.000 0.204 276 Q C 2.129 178.068 176.000 -0.102 0.000 0.984 276 Q CA 1.702 57.352 55.803 -0.255 0.000 0.846 276 Q CB -0.373 28.204 28.738 -0.268 0.000 0.902 276 Q HN 0.636 nan 8.270 nan 0.000 0.421 277 H N 0.165 119.247 119.070 0.020 0.000 2.352 277 H HA -0.117 4.359 4.556 -0.132 0.000 0.299 277 H C 2.143 177.336 175.328 -0.225 0.000 1.097 277 H CA 1.397 57.465 56.048 0.032 0.000 1.311 277 H CB -0.137 29.685 29.762 0.100 0.000 1.377 277 H HN 0.277 nan 8.280 nan 0.000 0.504 278 I N 0.149 120.640 120.570 -0.131 0.000 2.233 278 I HA -0.222 3.868 4.170 -0.132 0.000 0.243 278 I C 2.700 178.671 176.117 -0.242 0.000 1.093 278 I CA 0.624 61.794 61.300 -0.216 0.000 1.380 278 I CB -0.211 37.666 38.000 -0.205 0.000 1.067 278 I HN 0.073 nan 8.210 nan 0.000 0.413 279 L N 0.228 121.139 121.223 -0.519 0.000 2.017 279 L HA -0.177 4.084 4.340 -0.132 0.000 0.208 279 L C 2.175 178.861 176.870 -0.308 0.000 1.073 279 L CA 1.936 56.437 54.840 -0.565 0.000 0.745 279 L CB -0.475 40.970 42.059 -1.023 0.000 0.894 279 L HN 0.194 nan 8.230 nan 0.000 0.432 280 W N -1.613 119.619 121.300 -0.114 0.000 2.595 280 W HA -0.121 4.461 4.660 -0.130 0.000 0.257 280 W C 2.203 178.737 176.519 0.026 0.000 1.267 280 W CA 0.388 57.716 57.345 -0.028 0.000 1.300 280 W CB -0.189 29.323 29.460 0.086 0.000 1.120 280 W HN 0.194 nan 8.180 nan 0.000 0.618 281 F N -0.187 119.715 119.950 -0.080 0.000 2.171 281 F HA -0.209 4.239 4.527 -0.133 0.000 0.300 281 F C 2.234 178.073 175.800 0.065 0.000 1.090 281 F CA 1.734 59.636 58.000 -0.163 0.000 1.293 281 F CB -0.531 38.220 39.000 -0.416 0.000 1.013 281 F HN -0.037 nan 8.300 nan 0.000 0.486 282 F N 0.225 120.194 119.950 0.032 0.000 2.149 282 F HA 0.127 4.575 4.527 -0.131 0.000 0.294 282 F C 2.292 178.058 175.800 -0.057 0.000 1.095 282 F CA 1.532 59.518 58.000 -0.024 0.000 1.276 282 F CB -1.137 37.848 39.000 -0.025 0.000 1.023 282 F HN -0.099 nan 8.300 nan 0.000 0.480 283 G N -0.705 107.879 108.800 -0.359 0.000 2.440 283 G HA2 -0.355 3.525 3.960 -0.132 0.000 0.218 283 G HA3 -0.355 3.525 3.960 -0.132 0.000 0.218 283 G C 1.434 176.250 174.900 -0.141 0.000 1.154 283 G CA 1.343 46.146 45.100 -0.495 0.000 0.767 283 G HN 0.594 nan 8.290 nan 0.000 0.552 284 H N 1.471 120.579 119.070 0.064 0.000 2.276 284 H HA -0.006 4.471 4.556 -0.132 0.000 0.301 284 H C 0.253 175.526 175.328 -0.091 0.000 1.073 284 H CA 1.546 57.642 56.048 0.081 0.000 1.311 284 H CB -0.425 29.461 29.762 0.206 0.000 1.379 284 H HN 0.223 nan 8.280 nan 0.000 0.494 285 P HA -0.269 nan 4.420 nan 0.000 0.220 285 P C 1.226 178.379 177.300 -0.245 0.000 1.155 285 P CA 2.337 65.293 63.100 -0.240 0.000 0.880 285 P CB -0.116 31.182 31.700 -0.670 0.000 0.790 286 E N -0.013 119.875 120.200 -0.521 0.000 2.114 286 E HA -0.214 4.057 4.350 -0.132 0.000 0.199 286 E C 1.672 177.997 176.600 -0.458 0.000 1.008 286 E CA 2.033 58.076 56.400 -0.595 0.000 0.810 286 E CB -1.141 27.965 29.700 -0.989 0.000 0.739 286 E HN 0.198 nan 8.360 nan 0.000 0.456 287 V N -1.452 118.157 119.914 -0.507 0.000 2.809 287 V HA -0.110 3.930 4.120 -0.132 0.000 0.256 287 V C 1.709 177.440 176.094 -0.605 0.000 1.080 287 V CA 1.471 63.410 62.300 -0.602 0.000 1.102 287 V CB -0.883 30.502 31.823 -0.731 0.000 0.705 287 V HN 0.281 nan 8.190 nan 0.000 0.475 288 Y N 0.241 120.392 120.300 -0.248 0.000 2.397 288 Y HA 0.298 4.769 4.550 -0.132 0.000 0.292 288 Y C 2.279 178.068 175.900 -0.185 0.000 1.115 288 Y CA 1.106 59.107 58.100 -0.165 0.000 1.208 288 Y CB -0.364 38.063 38.460 -0.055 0.000 1.046 288 Y HN 0.163 nan 8.280 nan 0.000 0.552 289 I N -0.262 120.258 120.570 -0.083 0.000 2.335 289 I HA -0.323 3.768 4.170 -0.132 0.000 0.251 289 I C 1.965 177.977 176.117 -0.175 0.000 1.129 289 I CA 1.464 62.673 61.300 -0.152 0.000 1.402 289 I CB -0.321 37.548 38.000 -0.218 0.000 1.069 289 I HN 0.212 nan 8.210 nan 0.000 0.424 290 I N -0.046 120.393 120.570 -0.218 0.000 2.163 290 I HA -0.216 3.874 4.170 -0.132 0.000 0.240 290 I C 2.369 178.403 176.117 -0.138 0.000 1.081 290 I CA 1.492 62.672 61.300 -0.200 0.000 1.353 290 I CB -0.287 37.550 38.000 -0.273 0.000 1.054 290 I HN 0.123 nan 8.210 nan 0.000 0.407 291 V N -1.695 118.104 119.914 -0.192 0.000 2.951 291 V HA -0.042 3.999 4.120 -0.132 0.000 0.255 291 V C 2.193 178.065 176.094 -0.370 0.000 1.088 291 V CA 0.703 62.870 62.300 -0.223 0.000 1.109 291 V CB -0.727 30.922 31.823 -0.291 0.000 0.724 291 V HN 0.304 nan 8.190 nan 0.000 0.471 292 L N 0.278 121.322 121.223 -0.298 0.000 1.989 292 L HA -0.083 4.178 4.340 -0.132 0.000 0.211 292 L C 0.282 177.196 176.870 0.073 0.000 1.071 292 L CA 2.239 56.979 54.840 -0.168 0.000 0.749 292 L CB -1.784 40.274 42.059 -0.001 0.000 0.890 292 L HN 0.353 nan 8.230 nan 0.000 0.431 293 P HA -0.179 nan 4.420 nan 0.000 0.218 293 P C 1.314 178.801 177.300 0.312 0.000 1.148 293 P CA 1.719 64.957 63.100 0.230 0.000 0.822 293 P CB -0.030 31.837 31.700 0.278 0.000 0.784 294 A N -1.467 121.460 122.820 0.178 0.000 1.969 294 A HA -0.166 4.075 4.320 -0.132 0.000 0.218 294 A C 1.894 179.505 177.584 0.044 0.000 1.169 294 A CA 1.142 53.236 52.037 0.094 0.000 0.635 294 A CB -1.609 17.459 19.000 0.113 0.000 0.810 294 A HN 0.022 nan 8.150 nan 0.000 0.445 295 F N 0.616 120.554 119.950 -0.020 0.000 2.095 295 F HA -0.081 4.368 4.527 -0.131 0.000 0.298 295 F C 2.636 178.544 175.800 0.180 0.000 1.104 295 F CA 0.581 58.638 58.000 0.094 0.000 1.232 295 F CB -1.417 37.747 39.000 0.274 0.000 0.987 295 F HN 0.270 nan 8.300 nan 0.000 0.475 296 G N 0.404 109.478 108.800 0.457 0.000 2.459 296 G HA2 -0.245 3.636 3.960 -0.132 0.000 0.217 296 G HA3 -0.245 3.636 3.960 -0.132 0.000 0.217 296 G C 1.907 177.015 174.900 0.347 0.000 1.183 296 G CA 1.112 46.513 45.100 0.503 0.000 0.776 296 G HN 0.359 nan 8.290 nan 0.000 0.552 297 I N 0.321 121.002 120.570 0.185 0.000 2.226 297 I HA -0.166 3.925 4.170 -0.132 0.000 0.245 297 I C 2.782 178.689 176.117 -0.352 0.000 1.100 297 I CA 0.539 61.706 61.300 -0.221 0.000 1.374 297 I CB -0.315 37.508 38.000 -0.296 0.000 1.057 297 I HN 0.032 nan 8.210 nan 0.000 0.413 298 V N 0.236 119.912 119.914 -0.398 0.000 2.407 298 V HA -0.262 3.779 4.120 -0.132 0.000 0.248 298 V C 2.531 178.363 176.094 -0.437 0.000 1.055 298 V CA 2.053 63.964 62.300 -0.649 0.000 1.049 298 V CB -0.471 30.579 31.823 -1.287 0.000 0.662 298 V HN 0.383 nan 8.190 nan 0.000 0.455 299 S N -1.298 114.373 115.700 -0.049 0.000 2.348 299 S HA -0.220 4.170 4.470 -0.132 0.000 0.221 299 S C 1.821 176.520 174.600 0.165 0.000 1.033 299 S CA 1.573 59.934 58.200 0.269 0.000 1.010 299 S CB -0.476 63.026 63.200 0.503 0.000 0.891 299 S HN 0.696 nan 8.310 nan 0.000 0.442 300 H N 0.109 119.158 119.070 -0.036 0.000 2.319 300 H HA -0.056 4.421 4.556 -0.131 0.000 0.299 300 H C 2.284 177.375 175.328 -0.394 0.000 1.092 300 H CA 1.568 57.549 56.048 -0.111 0.000 1.302 300 H CB -0.318 29.404 29.762 -0.067 0.000 1.373 300 H HN 0.187 nan 8.280 nan 0.000 0.497 301 V N 1.510 121.090 119.914 -0.556 0.000 2.287 301 V HA -0.259 3.782 4.120 -0.132 0.000 0.248 301 V C 2.612 178.574 176.094 -0.220 0.000 1.053 301 V CA 1.657 63.565 62.300 -0.654 0.000 1.027 301 V CB -0.466 30.944 31.823 -0.688 0.000 0.646 301 V HN 0.346 nan 8.190 nan 0.000 0.447 302 I N 0.169 120.630 120.570 -0.183 0.000 2.179 302 I HA -0.237 3.854 4.170 -0.132 0.000 0.242 302 I C 2.743 178.844 176.117 -0.026 0.000 1.088 302 I CA 1.432 62.688 61.300 -0.073 0.000 1.357 302 I CB -0.767 37.202 38.000 -0.052 0.000 1.051 302 I HN 0.314 nan 8.210 nan 0.000 0.409 303 A N 0.815 123.627 122.820 -0.014 0.000 1.884 303 A HA -0.278 3.963 4.320 -0.132 0.000 0.219 303 A C 2.393 179.919 177.584 -0.098 0.000 1.197 303 A CA 2.877 54.906 52.037 -0.014 0.000 0.637 303 A CB -1.294 17.714 19.000 0.014 0.000 0.827 303 A HN 0.404 nan 8.150 nan 0.000 0.450 304 T N -0.784 113.656 114.554 -0.189 0.000 2.652 304 T HA -0.137 4.134 4.350 -0.132 0.000 0.267 304 T C 1.379 175.761 174.700 -0.530 0.000 1.039 304 T CA 1.879 63.739 62.100 -0.401 0.000 1.153 304 T CB -0.416 68.063 68.868 -0.649 0.000 0.863 304 T HN 0.435 nan 8.240 nan 0.000 0.428 305 F N 0.580 120.402 119.950 -0.213 0.000 2.789 305 F HA 0.435 4.882 4.527 -0.132 0.000 0.300 305 F C 2.216 177.918 175.800 -0.163 0.000 1.132 305 F CA -0.096 57.779 58.000 -0.209 0.000 1.404 305 F CB -0.214 38.624 39.000 -0.270 0.000 1.114 305 F HN 0.116 nan 8.300 nan 0.000 0.584 306 A N -0.197 122.600 122.820 -0.038 0.000 2.178 306 A HA 0.064 4.305 4.320 -0.132 0.000 0.211 306 A C 1.276 178.753 177.584 -0.178 0.000 1.157 306 A CA 0.070 52.065 52.037 -0.070 0.000 0.780 306 A CB -0.336 18.646 19.000 -0.029 0.000 0.828 306 A HN 0.270 nan 8.150 nan 0.000 0.476 307 K N -1.216 119.010 120.400 -0.290 0.000 3.096 307 K HA -0.194 4.047 4.320 -0.132 0.000 0.266 307 K C -0.229 175.842 176.600 -0.882 0.000 1.043 307 K CA 1.271 57.133 56.287 -0.707 0.000 0.758 307 K CB -1.347 30.827 32.500 -0.542 0.000 1.260 307 K HN 0.625 nan 8.250 nan 0.000 0.481 308 K N 0.208 120.387 120.400 -0.368 0.000 2.443 308 K HA 0.475 4.716 4.320 -0.132 0.000 0.251 308 K C -2.720 173.891 176.600 0.019 0.000 0.972 308 K CA -2.052 54.158 56.287 -0.127 0.000 0.833 308 K CB 2.118 34.601 32.500 -0.028 0.000 1.317 308 K HN -0.252 nan 8.250 nan 0.000 0.441 309 P HA 0.249 nan 4.420 nan 0.000 0.280 309 P C -0.468 176.905 177.300 0.122 0.000 1.272 309 P CA -0.517 62.642 63.100 0.099 0.000 0.819 309 P CB 0.391 32.139 31.700 0.082 0.000 1.122 310 I N 1.043 121.694 120.570 0.136 0.000 2.668 310 I HA 0.044 4.135 4.170 -0.132 0.000 0.285 310 I C 0.298 176.535 176.117 0.200 0.000 1.168 310 I CA -0.257 61.160 61.300 0.195 0.000 1.424 310 I CB -1.622 36.514 38.000 0.227 0.000 1.377 310 I HN 0.297 nan 8.210 nan 0.000 0.560 311 F N 6.586 126.591 119.950 0.091 0.000 2.504 311 F HA 0.510 4.958 4.527 -0.132 0.000 0.369 311 F C 1.327 177.148 175.800 0.036 0.000 1.082 311 F CA 0.575 58.612 58.000 0.062 0.000 1.216 311 F CB 0.585 39.618 39.000 0.056 0.000 1.108 311 F HN 1.335 nan 8.300 nan 0.000 0.554 312 G N 6.194 114.809 108.800 -0.309 0.000 2.359 312 G HA2 -0.396 3.485 3.960 -0.132 0.000 0.298 312 G HA3 -0.396 3.485 3.960 -0.132 0.000 0.298 312 G C 0.435 175.335 174.900 0.000 0.000 1.030 312 G CA 0.600 45.617 45.100 -0.137 0.000 1.149 312 G HN 1.028 nan 8.290 nan 0.000 0.512 313 Y N 0.459 120.705 120.300 -0.090 0.000 2.081 313 Y HA -0.151 4.319 4.550 -0.132 0.000 0.280 313 Y C 2.500 178.320 175.900 -0.132 0.000 1.163 313 Y CA 2.587 60.653 58.100 -0.057 0.000 1.135 313 Y CB -0.258 38.188 38.460 -0.024 0.000 0.970 313 Y HN 0.418 nan 8.280 nan 0.000 0.498 314 L N 0.507 121.689 121.223 -0.069 0.000 2.027 314 L HA -0.059 4.201 4.340 -0.132 0.000 0.206 314 L C -0.744 175.872 176.870 -0.423 0.000 1.074 314 L CA 1.809 56.453 54.840 -0.327 0.000 0.745 314 L CB -1.555 40.402 42.059 -0.171 0.000 0.898 314 L HN 0.123 nan 8.230 nan 0.000 0.433 315 P HA -0.179 nan 4.420 nan 0.000 0.218 315 P C 1.923 179.154 177.300 -0.116 0.000 1.148 315 P CA 1.456 64.531 63.100 -0.042 0.000 0.822 315 P CB -0.127 31.583 31.700 0.016 0.000 0.784 316 M N -1.225 118.254 119.600 -0.200 0.000 2.086 316 M HA -0.106 4.295 4.480 -0.132 0.000 0.261 316 M C 2.035 178.173 176.300 -0.269 0.000 1.067 316 M CA 1.608 56.775 55.300 -0.223 0.000 1.116 316 M CB -1.500 30.972 32.600 -0.213 0.000 1.348 316 M HN -0.141 nan 8.290 nan 0.000 0.407 317 V N -0.530 119.079 119.914 -0.510 0.000 2.332 317 V HA -0.278 3.763 4.120 -0.132 0.000 0.248 317 V C 2.278 178.142 176.094 -0.383 0.000 1.055 317 V CA 1.723 63.616 62.300 -0.678 0.000 1.038 317 V CB -1.069 30.020 31.823 -1.224 0.000 0.651 317 V HN 0.255 nan 8.190 nan 0.000 0.450 318 Y N 0.639 120.793 120.300 -0.244 0.000 2.220 318 Y HA 0.010 4.481 4.550 -0.132 0.000 0.291 318 Y C 2.574 178.418 175.900 -0.094 0.000 1.129 318 Y CA 0.535 58.547 58.100 -0.148 0.000 1.161 318 Y CB -1.390 37.006 38.460 -0.107 0.000 0.997 318 Y HN 0.172 nan 8.280 nan 0.000 0.522 319 A N 0.033 122.894 122.820 0.069 0.000 1.892 319 A HA -0.262 3.979 4.320 -0.132 0.000 0.218 319 A C 2.367 179.989 177.584 0.063 0.000 1.188 319 A CA 2.183 54.243 52.037 0.038 0.000 0.631 319 A CB -0.863 18.127 19.000 -0.017 0.000 0.822 319 A HN 0.436 nan 8.150 nan 0.000 0.447 320 M N -0.900 118.733 119.600 0.056 0.000 2.175 320 M HA -0.121 4.280 4.480 -0.132 0.000 0.264 320 M C 2.092 178.450 176.300 0.096 0.000 1.063 320 M CA 1.265 56.638 55.300 0.123 0.000 1.119 320 M CB -0.329 32.356 32.600 0.141 0.000 1.377 320 M HN 0.302 nan 8.290 nan 0.000 0.415 321 V N 0.067 120.020 119.914 0.065 0.000 2.379 321 V HA -0.189 3.852 4.120 -0.132 0.000 0.245 321 V C 2.590 178.711 176.094 0.045 0.000 1.044 321 V CA 1.785 64.126 62.300 0.069 0.000 1.036 321 V CB -1.173 30.701 31.823 0.085 0.000 0.664 321 V HN 0.479 nan 8.190 nan 0.000 0.453 322 A N 0.447 123.290 122.820 0.039 0.000 1.859 322 A HA -0.244 3.997 4.320 -0.132 0.000 0.217 322 A C 2.182 179.757 177.584 -0.014 0.000 1.198 322 A CA 2.320 54.363 52.037 0.010 0.000 0.629 322 A CB -0.712 18.295 19.000 0.010 0.000 0.830 322 A HN 0.473 nan 8.150 nan 0.000 0.446 323 I N -0.236 120.326 120.570 -0.014 0.000 2.145 323 I HA -0.299 3.792 4.170 -0.132 0.000 0.244 323 I C 2.715 178.715 176.117 -0.196 0.000 1.075 323 I CA 1.356 62.593 61.300 -0.106 0.000 1.332 323 I CB -0.780 37.223 38.000 0.004 0.000 1.033 323 I HN 0.436 nan 8.210 nan 0.000 0.410 324 G N 0.180 108.947 108.800 -0.055 0.000 2.469 324 G HA2 -0.200 3.681 3.960 -0.132 0.000 0.219 324 G HA3 -0.200 3.681 3.960 -0.132 0.000 0.219 324 G C 1.656 176.610 174.900 0.090 0.000 1.150 324 G CA 1.193 46.300 45.100 0.010 0.000 0.763 324 G HN 0.293 nan 8.290 nan 0.000 0.561 325 V N 0.449 120.405 119.914 0.069 0.000 2.500 325 V HA 0.086 4.126 4.120 -0.132 0.000 0.243 325 V C 2.790 178.958 176.094 0.123 0.000 1.039 325 V CA 0.807 63.182 62.300 0.124 0.000 1.053 325 V CB -0.216 31.627 31.823 0.032 0.000 0.695 325 V HN 0.306 nan 8.190 nan 0.000 0.463 326 L N 0.848 122.075 121.223 0.007 0.000 2.265 326 L HA -0.065 4.196 4.340 -0.132 0.000 0.215 326 L C 2.336 179.134 176.870 -0.120 0.000 1.117 326 L CA 1.384 56.203 54.840 -0.035 0.000 0.782 326 L CB -0.828 41.189 42.059 -0.070 0.000 0.914 326 L HN 0.494 nan 8.230 nan 0.000 0.441 327 G N -1.365 107.285 108.800 -0.250 0.000 2.807 327 G HA2 -0.180 3.701 3.960 -0.132 0.000 0.207 327 G HA3 -0.180 3.701 3.960 -0.132 0.000 0.207 327 G C 0.967 175.638 174.900 -0.382 0.000 1.151 327 G CA 0.019 44.846 45.100 -0.455 0.000 0.800 327 G HN 0.282 nan 8.290 nan 0.000 0.523 328 F N -0.421 119.466 119.950 -0.105 0.000 2.678 328 F HA 0.186 4.634 4.527 -0.133 0.000 0.305 328 F C 1.620 177.517 175.800 0.162 0.000 1.090 328 F CA -0.046 57.894 58.000 -0.100 0.000 1.272 328 F CB 1.212 40.148 39.000 -0.107 0.000 1.060 328 F HN 0.078 nan 8.300 nan 0.000 0.576 329 V N -2.022 118.072 119.914 0.301 0.000 3.070 329 V HA 0.273 4.314 4.120 -0.132 0.000 0.345 329 V C 0.453 176.618 176.094 0.119 0.000 1.403 329 V CA 0.344 62.850 62.300 0.344 0.000 1.155 329 V CB -0.272 31.704 31.823 0.254 0.000 1.140 329 V HN 0.022 nan 8.190 nan 0.000 0.505 330 V N -3.969 116.006 119.914 0.101 0.000 3.432 330 V HA 0.265 4.306 4.120 -0.132 0.000 0.298 330 V C 1.821 177.766 176.094 -0.248 0.000 1.464 330 V CA 0.393 62.674 62.300 -0.032 0.000 1.046 330 V CB -0.572 31.158 31.823 -0.155 0.000 0.887 330 V HN 0.737 nan 8.190 nan 0.000 0.441 331 W N 2.607 123.877 121.300 -0.051 0.000 2.305 331 W HA -0.074 4.507 4.660 -0.131 0.000 0.308 331 W C 1.889 178.099 176.519 -0.515 0.000 1.226 331 W CA 2.040 59.283 57.345 -0.171 0.000 1.253 331 W CB -1.142 28.402 29.460 0.139 0.000 1.146 331 W HN 0.229 nan 8.180 nan 0.000 0.507 332 A N 1.738 123.700 122.820 -1.431 0.000 2.239 332 A HA -0.125 4.115 4.320 -0.132 0.000 0.209 332 A C 1.820 178.784 177.584 -1.033 0.000 1.171 332 A CA 1.089 52.358 52.037 -1.281 0.000 0.768 332 A CB -1.852 15.947 19.000 -2.001 0.000 0.790 332 A HN 0.799 nan 8.150 nan 0.000 0.478 333 H N -2.622 115.892 119.070 -0.927 0.000 2.545 333 H HA -0.026 4.451 4.556 -0.132 0.000 0.282 333 H C 0.663 175.256 175.328 -1.226 0.000 1.020 333 H CA 0.998 56.267 56.048 -1.298 0.000 1.243 333 H CB -0.340 28.925 29.762 -0.829 0.000 1.377 333 H HN 0.658 nan 8.280 nan 0.000 0.581 334 H N 0.436 119.057 119.070 -0.750 0.000 2.533 334 H HA 0.205 4.682 4.556 -0.131 0.000 0.271 334 H C 0.629 175.602 175.328 -0.593 0.000 1.000 334 H CA 0.330 55.890 56.048 -0.814 0.000 1.149 334 H CB 0.424 29.050 29.762 -1.893 0.000 1.375 334 H HN 0.511 nan 8.280 nan 0.000 0.582 335 M N -0.929 118.373 119.600 -0.497 0.000 2.621 335 M HA 0.067 4.467 4.480 -0.132 0.000 0.421 335 M C 0.358 176.520 176.300 -0.229 0.000 1.180 335 M CA -0.156 54.956 55.300 -0.314 0.000 0.875 335 M CB 0.653 33.090 32.600 -0.272 0.000 1.572 335 M HN -0.052 nan 8.290 nan 0.000 0.541 336 Y N 1.166 121.312 120.300 -0.258 0.000 2.298 336 Y HA -0.158 4.313 4.550 -0.131 0.000 0.287 336 Y C 2.722 178.527 175.900 -0.157 0.000 1.164 336 Y CA 1.861 59.853 58.100 -0.179 0.000 1.229 336 Y CB -0.882 37.491 38.460 -0.144 0.000 0.977 336 Y HN 0.383 nan 8.280 nan 0.000 0.538 337 T N -4.622 109.878 114.554 -0.090 0.000 3.085 337 T HA 0.498 4.768 4.350 -0.132 0.000 0.264 337 T C 1.533 176.219 174.700 -0.022 0.000 1.019 337 T CA 0.278 62.346 62.100 -0.053 0.000 0.910 337 T CB -0.054 68.780 68.868 -0.057 0.000 1.059 337 T HN 0.142 nan 8.240 nan 0.000 0.542 338 A N 1.086 123.883 122.820 -0.037 0.000 2.238 338 A HA 0.630 4.871 4.320 -0.132 0.000 0.208 338 A C 1.701 179.298 177.584 0.021 0.000 1.177 338 A CA 0.242 52.277 52.037 -0.003 0.000 0.804 338 A CB -0.932 18.043 19.000 -0.042 0.000 0.823 338 A HN 1.502 nan 8.150 nan 0.000 0.482 339 G N -0.627 108.192 108.800 0.033 0.000 2.392 339 G HA2 -0.121 3.759 3.960 -0.132 0.000 0.215 339 G HA3 -0.121 3.759 3.960 -0.132 0.000 0.215 339 G C -0.279 174.667 174.900 0.076 0.000 1.097 339 G CA -0.108 45.024 45.100 0.053 0.000 0.840 339 G HN 0.356 nan 8.290 nan 0.000 0.492 340 L N 1.088 122.360 121.223 0.083 0.000 2.379 340 L HA 0.638 4.899 4.340 -0.132 0.000 0.269 340 L C 1.532 178.465 176.870 0.106 0.000 1.084 340 L CA -0.370 54.542 54.840 0.120 0.000 0.802 340 L CB 1.456 43.597 42.059 0.137 0.000 1.175 340 L HN 0.538 nan 8.230 nan 0.000 0.448 341 S N 1.092 116.861 115.700 0.115 0.000 2.600 341 S HA 0.058 4.449 4.470 -0.132 0.000 0.265 341 S C 0.887 175.539 174.600 0.087 0.000 1.325 341 S CA -0.654 57.600 58.200 0.089 0.000 1.002 341 S CB 0.934 64.184 63.200 0.084 0.000 0.921 341 S HN 0.554 nan 8.310 nan 0.000 0.554 342 L N 1.935 123.192 121.223 0.057 0.000 2.129 342 L HA -0.059 4.202 4.340 -0.132 0.000 0.212 342 L C 2.431 179.336 176.870 0.059 0.000 1.087 342 L CA 2.201 57.066 54.840 0.041 0.000 0.757 342 L CB -1.802 40.270 42.059 0.021 0.000 0.896 342 L HN 0.990 nan 8.230 nan 0.000 0.434 343 T N -0.981 113.615 114.554 0.071 0.000 2.770 343 T HA -0.175 4.096 4.350 -0.132 0.000 0.263 343 T C 1.787 176.571 174.700 0.139 0.000 1.039 343 T CA 1.588 63.735 62.100 0.079 0.000 1.142 343 T CB -0.070 68.831 68.868 0.055 0.000 0.868 343 T HN 0.466 nan 8.240 nan 0.000 0.435 344 Q N 0.828 120.737 119.800 0.182 0.000 2.050 344 Q HA -0.139 4.122 4.340 -0.132 0.000 0.202 344 Q C 2.589 178.838 176.000 0.415 0.000 0.980 344 Q CA 1.354 57.355 55.803 0.329 0.000 0.840 344 Q CB -0.210 28.729 28.738 0.335 0.000 0.898 344 Q HN 0.569 nan 8.270 nan 0.000 0.424 345 Q N -0.061 119.901 119.800 0.270 0.000 2.112 345 Q HA -0.173 4.088 4.340 -0.132 0.000 0.206 345 Q C 2.257 178.357 176.000 0.167 0.000 0.987 345 Q CA 1.589 57.533 55.803 0.235 0.000 0.858 345 Q CB -0.033 28.745 28.738 0.066 0.000 0.905 345 Q HN 0.250 nan 8.270 nan 0.000 0.420 346 S N -0.165 115.600 115.700 0.108 0.000 2.371 346 S HA -0.146 4.245 4.470 -0.132 0.000 0.224 346 S C 1.574 176.207 174.600 0.056 0.000 1.029 346 S CA 0.993 59.223 58.200 0.050 0.000 0.978 346 S CB -0.368 62.852 63.200 0.034 0.000 0.833 346 S HN 0.470 nan 8.310 nan 0.000 0.466 347 Y N 1.740 122.031 120.300 -0.016 0.000 2.097 347 Y HA -0.186 4.285 4.550 -0.132 0.000 0.282 347 Y C 1.755 177.557 175.900 -0.165 0.000 1.152 347 Y CA 1.439 59.456 58.100 -0.139 0.000 1.136 347 Y CB -0.800 37.498 38.460 -0.271 0.000 0.975 347 Y HN 0.191 nan 8.280 nan 0.000 0.498 348 F N 0.124 119.846 119.950 -0.380 0.000 2.216 348 F HA -0.234 4.213 4.527 -0.132 0.000 0.300 348 F C 2.741 178.404 175.800 -0.228 0.000 1.085 348 F CA 1.806 59.522 58.000 -0.474 0.000 1.326 348 F CB -0.617 38.253 39.000 -0.217 0.000 1.027 348 F HN 0.207 nan 8.300 nan 0.000 0.497 349 M N -0.443 119.224 119.600 0.112 0.000 2.117 349 M HA -0.263 4.138 4.480 -0.132 0.000 0.262 349 M C 2.019 178.290 176.300 -0.049 0.000 1.065 349 M CA 1.858 57.209 55.300 0.084 0.000 1.114 349 M CB -0.147 32.453 32.600 -0.000 0.000 1.361 349 M HN 0.161 nan 8.290 nan 0.000 0.408 350 M N -0.354 119.163 119.600 -0.137 0.000 2.200 350 M HA -0.032 4.369 4.480 -0.132 0.000 0.265 350 M C 2.399 178.583 176.300 -0.193 0.000 1.066 350 M CA 1.314 56.529 55.300 -0.142 0.000 1.127 350 M CB -0.604 31.929 32.600 -0.111 0.000 1.379 350 M HN 0.481 nan 8.290 nan 0.000 0.420 351 A N 0.402 122.995 122.820 -0.379 0.000 1.908 351 A HA -0.174 4.067 4.320 -0.132 0.000 0.218 351 A C 2.223 179.706 177.584 -0.167 0.000 1.181 351 A CA 2.422 54.250 52.037 -0.348 0.000 0.627 351 A CB -1.267 17.343 19.000 -0.651 0.000 0.818 351 A HN 0.454 nan 8.150 nan 0.000 0.445 352 T N -0.067 114.424 114.554 -0.106 0.000 2.788 352 T HA -0.134 4.137 4.350 -0.132 0.000 0.268 352 T C 1.922 176.605 174.700 -0.027 0.000 1.044 352 T CA 1.745 63.839 62.100 -0.010 0.000 1.139 352 T CB -0.298 68.602 68.868 0.053 0.000 0.867 352 T HN 0.454 nan 8.240 nan 0.000 0.454 353 M N 0.395 119.968 119.600 -0.044 0.000 2.175 353 M HA -0.068 4.333 4.480 -0.132 0.000 0.264 353 M C 2.435 178.719 176.300 -0.027 0.000 1.063 353 M CA 1.119 56.398 55.300 -0.035 0.000 1.119 353 M CB -0.480 32.096 32.600 -0.039 0.000 1.377 353 M HN 0.095 nan 8.290 nan 0.000 0.415 354 V N 0.607 120.496 119.914 -0.041 0.000 2.295 354 V HA -0.281 3.760 4.120 -0.132 0.000 0.246 354 V C 2.154 178.239 176.094 -0.015 0.000 1.049 354 V CA 1.786 64.068 62.300 -0.031 0.000 1.024 354 V CB -0.509 31.287 31.823 -0.045 0.000 0.648 354 V HN 0.481 nan 8.190 nan 0.000 0.447 355 I N 0.165 120.724 120.570 -0.018 0.000 2.756 355 I HA -0.169 3.922 4.170 -0.132 0.000 0.262 355 I C 2.323 178.472 176.117 0.054 0.000 1.225 355 I CA 1.092 62.393 61.300 0.002 0.000 1.472 355 I CB -0.211 37.770 38.000 -0.032 0.000 1.094 355 I HN 0.317 nan 8.210 nan 0.000 0.454 356 A N -0.127 122.719 122.820 0.043 0.000 2.067 356 A HA -0.095 4.146 4.320 -0.132 0.000 0.219 356 A C 2.203 179.813 177.584 0.044 0.000 1.158 356 A CA 1.289 53.357 52.037 0.051 0.000 0.661 356 A CB -0.557 18.452 19.000 0.015 0.000 0.801 356 A HN 0.334 nan 8.150 nan 0.000 0.452 357 V N 1.062 120.996 119.914 0.032 0.000 2.239 357 V HA -0.101 3.939 4.120 -0.132 0.000 0.242 357 V C -0.139 175.977 176.094 0.036 0.000 1.038 357 V CA 2.165 64.484 62.300 0.031 0.000 1.002 357 V CB -1.366 30.471 31.823 0.023 0.000 0.641 357 V HN 0.430 nan 8.190 nan 0.000 0.449 358 P HA -0.090 nan 4.420 nan 0.000 0.222 358 P C 1.535 178.867 177.300 0.054 0.000 1.147 358 P CA 1.400 64.521 63.100 0.035 0.000 0.790 358 P CB -0.159 31.564 31.700 0.038 0.000 0.780 359 T N -0.170 114.457 114.554 0.123 0.000 2.701 359 T HA -0.040 4.231 4.350 -0.132 0.000 0.263 359 T C 2.165 176.972 174.700 0.177 0.000 1.040 359 T CA 1.852 64.102 62.100 0.251 0.000 1.147 359 T CB -1.134 67.951 68.868 0.362 0.000 0.865 359 T HN 0.176 nan 8.240 nan 0.000 0.426 360 G N 0.820 109.663 108.800 0.071 0.000 2.443 360 G HA2 -0.093 3.788 3.960 -0.132 0.000 0.219 360 G HA3 -0.093 3.788 3.960 -0.132 0.000 0.219 360 G C 1.496 176.227 174.900 -0.282 0.000 1.131 360 G CA 0.219 45.281 45.100 -0.064 0.000 0.775 360 G HN 0.365 nan 8.290 nan 0.000 0.547 361 I N 0.865 121.334 120.570 -0.168 0.000 2.264 361 I HA -0.139 3.952 4.170 -0.132 0.000 0.248 361 I C 2.836 178.805 176.117 -0.246 0.000 1.111 361 I CA 1.128 62.354 61.300 -0.123 0.000 1.382 361 I CB -0.117 37.897 38.000 0.022 0.000 1.060 361 I HN 0.156 nan 8.210 nan 0.000 0.418 362 M N -0.896 118.487 119.600 -0.361 0.000 2.279 362 M HA -0.194 4.207 4.480 -0.132 0.000 0.264 362 M C 1.963 177.786 176.300 -0.795 0.000 1.062 362 M CA 1.042 55.903 55.300 -0.732 0.000 1.099 362 M CB -0.211 31.766 32.600 -1.038 0.000 1.394 362 M HN 0.158 nan 8.290 nan 0.000 0.426 363 I N -0.195 120.162 120.570 -0.354 0.000 2.208 363 I HA -0.282 3.809 4.170 -0.132 0.000 0.245 363 I C 2.149 178.258 176.117 -0.013 0.000 1.097 363 I CA 1.878 63.162 61.300 -0.028 0.000 1.363 363 I CB -1.268 36.654 38.000 -0.130 0.000 1.051 363 I HN 0.194 nan 8.210 nan 0.000 0.413 364 F N 1.102 121.008 119.950 -0.074 0.000 2.186 364 F HA -0.096 4.352 4.527 -0.132 0.000 0.299 364 F C 2.855 178.532 175.800 -0.205 0.000 1.090 364 F CA 0.899 58.826 58.000 -0.121 0.000 1.307 364 F CB -1.423 37.491 39.000 -0.144 0.000 1.019 364 F HN -0.016 nan 8.300 nan 0.000 0.489 365 S N -1.052 114.594 115.700 -0.091 0.000 2.368 365 S HA -0.175 4.216 4.470 -0.132 0.000 0.225 365 S C 1.916 176.479 174.600 -0.063 0.000 1.030 365 S CA 0.983 59.082 58.200 -0.167 0.000 0.999 365 S CB -0.367 62.697 63.200 -0.227 0.000 0.844 365 S HN 0.382 nan 8.310 nan 0.000 0.459 366 W N 1.485 122.792 121.300 0.011 0.000 2.388 366 W HA 0.123 4.703 4.660 -0.132 0.000 0.294 366 W C 1.947 178.493 176.519 0.045 0.000 1.212 366 W CA 0.111 57.468 57.345 0.020 0.000 1.271 366 W CB -1.051 28.406 29.460 -0.006 0.000 1.126 366 W HN 0.328 nan 8.180 nan 0.000 0.535 367 I N 0.382 121.113 120.570 0.269 0.000 2.252 367 I HA -0.241 3.849 4.170 -0.132 0.000 0.245 367 I C 2.602 178.822 176.117 0.173 0.000 1.102 367 I CA 1.438 62.876 61.300 0.230 0.000 1.385 367 I CB -1.014 37.128 38.000 0.237 0.000 1.064 367 I HN -0.203 nan 8.210 nan 0.000 0.414 368 A N 0.566 123.365 122.820 -0.034 0.000 1.940 368 A HA -0.205 4.036 4.320 -0.132 0.000 0.219 368 A C 2.368 179.976 177.584 0.040 0.000 1.176 368 A CA 2.442 54.328 52.037 -0.252 0.000 0.631 368 A CB -1.082 17.253 19.000 -1.109 0.000 0.814 368 A HN 0.400 nan 8.150 nan 0.000 0.446 369 T N -0.038 114.605 114.554 0.148 0.000 2.867 369 T HA -0.088 4.183 4.350 -0.132 0.000 0.268 369 T C 1.860 176.670 174.700 0.183 0.000 1.057 369 T CA 1.626 63.868 62.100 0.237 0.000 1.136 369 T CB -0.272 68.755 68.868 0.265 0.000 0.874 369 T HN 0.468 nan 8.240 nan 0.000 0.466 370 M N -0.556 119.151 119.600 0.179 0.000 2.254 370 M HA 0.046 4.447 4.480 -0.132 0.000 0.265 370 M C 0.953 177.325 176.300 0.121 0.000 1.066 370 M CA 0.534 55.907 55.300 0.121 0.000 1.123 370 M CB -0.004 32.667 32.600 0.118 0.000 1.388 370 M HN 0.311 nan 8.290 nan 0.000 0.425 371 W N 1.831 123.139 121.300 0.013 0.000 2.308 371 W HA 0.165 4.745 4.660 -0.132 0.000 0.324 371 W C 0.824 177.353 176.519 0.018 0.000 1.387 371 W CA 1.623 58.970 57.345 0.004 0.000 1.250 371 W CB 0.258 29.703 29.460 -0.025 0.000 1.257 371 W HN 0.589 nan 8.180 nan 0.000 0.554 372 G N 3.689 112.365 108.800 -0.206 0.000 2.162 372 G HA2 -0.260 3.621 3.960 -0.132 0.000 0.260 372 G HA3 -0.260 3.621 3.960 -0.132 0.000 0.260 372 G C 0.396 175.267 174.900 -0.048 0.000 0.976 372 G CA 0.133 45.190 45.100 -0.073 0.000 0.655 372 G HN 0.931 nan 8.290 nan 0.000 0.533 373 G N -0.784 107.977 108.800 -0.064 0.000 2.508 373 G HA2 0.523 4.404 3.960 -0.132 0.000 0.278 373 G HA3 0.523 4.404 3.960 -0.132 0.000 0.278 373 G C 0.255 175.100 174.900 -0.092 0.000 1.389 373 G CA 0.682 45.739 45.100 -0.070 0.000 1.050 373 G HN 1.103 nan 8.290 nan 0.000 0.522 374 S N -0.342 115.299 115.700 -0.097 0.000 2.399 374 S HA 0.410 4.801 4.470 -0.132 0.000 0.215 374 S C -0.121 174.442 174.600 -0.062 0.000 1.456 374 S CA -0.593 57.560 58.200 -0.077 0.000 1.199 374 S CB -0.508 62.651 63.200 -0.069 0.000 1.063 374 S HN 0.359 nan 8.310 nan 0.000 0.476 375 I N 3.398 123.934 120.570 -0.057 0.000 2.396 375 I HA 0.260 4.351 4.170 -0.132 0.000 0.289 375 I C 0.592 176.699 176.117 -0.017 0.000 1.056 375 I CA -0.014 61.262 61.300 -0.039 0.000 1.365 375 I CB 0.745 38.710 38.000 -0.059 0.000 1.407 375 I HN 0.511 nan 8.210 nan 0.000 0.509 376 E N 7.093 127.308 120.200 0.025 0.000 2.113 376 E HA 0.301 4.572 4.350 -0.132 0.000 0.273 376 E C -0.480 176.099 176.600 -0.036 0.000 0.924 376 E CA -0.624 55.804 56.400 0.048 0.000 0.764 376 E CB 1.102 30.898 29.700 0.160 0.000 1.104 376 E HN 0.610 nan 8.360 nan 0.000 0.406 377 L N 5.284 126.456 121.223 -0.086 0.000 2.955 377 L HA 0.162 4.423 4.340 -0.132 0.000 0.238 377 L C 0.412 177.130 176.870 -0.253 0.000 1.359 377 L CA -0.106 54.620 54.840 -0.190 0.000 1.214 377 L CB -0.514 41.462 42.059 -0.139 0.000 1.600 377 L HN 0.240 nan 8.230 nan 0.000 0.442 378 K N -0.128 120.069 120.400 -0.338 0.000 2.168 378 K HA 0.156 4.397 4.320 -0.132 0.000 0.258 378 K C 1.378 177.666 176.600 -0.519 0.000 1.010 378 K CA -0.136 55.953 56.287 -0.331 0.000 0.929 378 K CB 1.044 33.365 32.500 -0.298 0.000 0.998 378 K HN 0.062 nan 8.250 nan 0.000 0.479 379 T N 2.660 117.018 114.554 -0.327 0.000 2.620 379 T HA -0.156 4.115 4.350 -0.132 0.000 0.267 379 T C -1.059 173.321 174.700 -0.534 0.000 1.044 379 T CA 1.808 63.599 62.100 -0.516 0.000 1.161 379 T CB -0.884 67.671 68.868 -0.522 0.000 0.862 379 T HN 0.490 nan 8.240 nan 0.000 0.438 380 P HA -0.049 nan 4.420 nan 0.000 0.218 380 P C 1.527 178.537 177.300 -0.483 0.000 1.148 380 P CA 0.946 63.879 63.100 -0.279 0.000 0.822 380 P CB -0.095 31.441 31.700 -0.273 0.000 0.784 381 M N -1.389 117.721 119.600 -0.816 0.000 2.288 381 M HA -0.017 4.384 4.480 -0.132 0.000 0.266 381 M C 1.769 177.723 176.300 -0.576 0.000 1.072 381 M CA 1.542 56.462 55.300 -0.633 0.000 1.132 381 M CB -1.243 30.959 32.600 -0.664 0.000 1.386 381 M HN -0.204 nan 8.290 nan 0.000 0.432 382 L N -1.451 119.275 121.223 -0.828 0.000 1.989 382 L HA -0.243 4.017 4.340 -0.132 0.000 0.211 382 L C 2.219 178.393 176.870 -1.159 0.000 1.071 382 L CA 1.852 55.877 54.840 -1.359 0.000 0.749 382 L CB -1.005 39.781 42.059 -2.121 0.000 0.890 382 L HN 0.419 nan 8.230 nan 0.000 0.431 383 W N -0.297 120.614 121.300 -0.648 0.000 2.321 383 W HA -0.250 4.332 4.660 -0.130 0.000 0.306 383 W C 2.738 179.296 176.519 0.064 0.000 1.217 383 W CA 0.883 58.154 57.345 -0.123 0.000 1.257 383 W CB -0.428 28.955 29.460 -0.128 0.000 1.145 383 W HN 0.153 nan 8.180 nan 0.000 0.509 384 A N 0.168 123.014 122.820 0.043 0.000 1.902 384 A HA -0.170 4.071 4.320 -0.132 0.000 0.217 384 A C 1.940 179.541 177.584 0.028 0.000 1.181 384 A CA 1.560 53.564 52.037 -0.055 0.000 0.623 384 A CB -1.026 17.826 19.000 -0.246 0.000 0.818 384 A HN 0.306 nan 8.150 nan 0.000 0.443 385 L N -0.797 120.392 121.223 -0.056 0.000 2.093 385 L HA -0.094 4.167 4.340 -0.132 0.000 0.208 385 L C 2.852 179.814 176.870 0.154 0.000 1.085 385 L CA 0.995 55.833 54.840 -0.004 0.000 0.755 385 L CB -0.973 41.000 42.059 -0.144 0.000 0.904 385 L HN 0.491 nan 8.230 nan 0.000 0.435 386 G N 0.099 109.045 108.800 0.245 0.000 2.446 386 G HA2 -0.355 3.526 3.960 -0.132 0.000 0.217 386 G HA3 -0.355 3.526 3.960 -0.132 0.000 0.217 386 G C 1.505 176.672 174.900 0.445 0.000 1.168 386 G CA 0.783 46.196 45.100 0.522 0.000 0.771 386 G HN 0.303 nan 8.290 nan 0.000 0.551 387 F N 1.358 121.514 119.950 0.343 0.000 2.115 387 F HA -0.130 4.318 4.527 -0.132 0.000 0.300 387 F C 2.451 178.341 175.800 0.151 0.000 1.092 387 F CA 1.506 59.608 58.000 0.171 0.000 1.245 387 F CB -0.193 38.861 39.000 0.089 0.000 0.995 387 F HN 0.071 nan 8.300 nan 0.000 0.481 388 L N -1.271 120.172 121.223 0.366 0.000 2.056 388 L HA -0.202 4.059 4.340 -0.132 0.000 0.207 388 L C 2.419 179.443 176.870 0.256 0.000 1.078 388 L CA 1.490 56.514 54.840 0.305 0.000 0.749 388 L CB -0.913 41.312 42.059 0.277 0.000 0.901 388 L HN 0.249 nan 8.230 nan 0.000 0.433 389 F N 0.784 120.829 119.950 0.159 0.000 2.113 389 F HA -0.181 4.267 4.527 -0.132 0.000 0.297 389 F C 2.195 178.059 175.800 0.108 0.000 1.103 389 F CA 1.509 59.607 58.000 0.163 0.000 1.248 389 F CB -0.091 39.073 39.000 0.273 0.000 0.999 389 F HN -0.151 nan 8.300 nan 0.000 0.475 390 L N -1.205 120.107 121.223 0.148 0.000 2.056 390 L HA -0.166 4.095 4.340 -0.132 0.000 0.207 390 L C 2.375 179.177 176.870 -0.113 0.000 1.078 390 L CA 1.115 55.968 54.840 0.022 0.000 0.749 390 L CB -0.951 41.044 42.059 -0.108 0.000 0.901 390 L HN 0.163 nan 8.230 nan 0.000 0.433 391 F N 1.134 120.859 119.950 -0.374 0.000 2.126 391 F HA -0.242 4.206 4.527 -0.132 0.000 0.299 391 F C 2.495 178.164 175.800 -0.218 0.000 1.096 391 F CA 1.994 59.764 58.000 -0.384 0.000 1.255 391 F CB -0.381 38.282 39.000 -0.561 0.000 0.997 391 F HN -0.037 nan 8.300 nan 0.000 0.479 392 T N -0.304 114.187 114.554 -0.105 0.000 2.708 392 T HA -0.165 4.106 4.350 -0.132 0.000 0.266 392 T C 2.205 176.712 174.700 -0.322 0.000 1.037 392 T CA 1.648 63.636 62.100 -0.185 0.000 1.146 392 T CB -0.734 68.058 68.868 -0.126 0.000 0.865 392 T HN 0.097 nan 8.240 nan 0.000 0.435 393 V N 1.449 121.101 119.914 -0.437 0.000 2.332 393 V HA -0.125 3.915 4.120 -0.132 0.000 0.248 393 V C 2.857 178.667 176.094 -0.473 0.000 1.055 393 V CA 2.030 64.006 62.300 -0.540 0.000 1.038 393 V CB -1.347 30.003 31.823 -0.788 0.000 0.651 393 V HN 0.617 nan 8.190 nan 0.000 0.450 394 G N -0.196 108.373 108.800 -0.386 0.000 2.402 394 G HA2 -0.123 3.758 3.960 -0.132 0.000 0.216 394 G HA3 -0.123 3.758 3.960 -0.132 0.000 0.216 394 G C 1.612 176.359 174.900 -0.255 0.000 1.162 394 G CA 0.898 45.805 45.100 -0.322 0.000 0.777 394 G HN 0.582 nan 8.290 nan 0.000 0.539 395 G N 0.798 109.368 108.800 -0.384 0.000 2.404 395 G HA2 -0.136 3.745 3.960 -0.132 0.000 0.215 395 G HA3 -0.136 3.745 3.960 -0.132 0.000 0.215 395 G C 1.985 176.787 174.900 -0.164 0.000 1.174 395 G CA 2.011 46.932 45.100 -0.299 0.000 0.780 395 G HN 0.791 nan 8.290 nan 0.000 0.537 396 V N -1.624 118.181 119.914 -0.183 0.000 2.594 396 V HA -0.114 3.927 4.120 -0.132 0.000 0.253 396 V C 2.478 178.497 176.094 -0.125 0.000 1.069 396 V CA 2.609 64.824 62.300 -0.141 0.000 1.082 396 V CB -1.163 30.570 31.823 -0.149 0.000 0.680 396 V HN 0.229 nan 8.190 nan 0.000 0.469 397 T N 0.774 115.243 114.554 -0.142 0.000 2.942 397 T HA 0.108 4.379 4.350 -0.132 0.000 0.265 397 T C 1.815 176.394 174.700 -0.202 0.000 1.062 397 T CA 1.382 63.399 62.100 -0.138 0.000 1.139 397 T CB -0.505 68.245 68.868 -0.197 0.000 0.883 397 T HN 0.725 nan 8.240 nan 0.000 0.468 398 G N 1.837 110.500 108.800 -0.229 0.000 2.422 398 G HA2 -0.134 3.747 3.960 -0.132 0.000 0.218 398 G HA3 -0.134 3.747 3.960 -0.132 0.000 0.218 398 G C 1.468 176.238 174.900 -0.217 0.000 1.146 398 G CA 0.398 45.255 45.100 -0.406 0.000 0.769 398 G HN 0.397 nan 8.290 nan 0.000 0.547 399 I N 1.163 121.659 120.570 -0.124 0.000 2.118 399 I HA -0.176 3.915 4.170 -0.132 0.000 0.241 399 I C 3.010 179.090 176.117 -0.061 0.000 1.070 399 I CA 0.890 62.142 61.300 -0.081 0.000 1.327 399 I CB -1.382 36.582 38.000 -0.060 0.000 1.034 399 I HN 0.052 nan 8.210 nan 0.000 0.405 400 V N 1.237 121.128 119.914 -0.038 0.000 2.252 400 V HA -0.288 3.753 4.120 -0.132 0.000 0.249 400 V C 2.642 178.754 176.094 0.030 0.000 1.056 400 V CA 1.803 64.113 62.300 0.018 0.000 1.022 400 V CB -0.785 31.091 31.823 0.088 0.000 0.641 400 V HN 0.350 nan 8.190 nan 0.000 0.445 401 L N 1.079 122.298 121.223 -0.007 0.000 2.191 401 L HA -0.144 4.117 4.340 -0.132 0.000 0.212 401 L C 2.657 179.548 176.870 0.035 0.000 1.103 401 L CA 1.585 56.434 54.840 0.014 0.000 0.769 401 L CB -0.735 41.247 42.059 -0.129 0.000 0.908 401 L HN 0.584 nan 8.230 nan 0.000 0.438 402 S N -1.357 114.322 115.700 -0.035 0.000 2.423 402 S HA -0.121 4.270 4.470 -0.132 0.000 0.231 402 S C 1.102 175.737 174.600 0.058 0.000 1.014 402 S CA 0.393 58.605 58.200 0.020 0.000 0.965 402 S CB -0.254 62.914 63.200 -0.053 0.000 0.785 402 S HN 0.327 nan 8.310 nan 0.000 0.495 403 Q N 1.510 121.301 119.800 -0.015 0.000 2.381 403 Q HA 0.509 4.770 4.340 -0.132 0.000 0.243 403 Q C 1.250 177.137 176.000 -0.188 0.000 1.154 403 Q CA 0.377 56.123 55.803 -0.095 0.000 0.899 403 Q CB 0.332 29.028 28.738 -0.069 0.000 1.396 403 Q HN 0.488 nan 8.270 nan 0.000 0.485 404 A N 2.802 125.328 122.820 -0.490 0.000 1.958 404 A HA -0.295 3.946 4.320 -0.132 0.000 0.221 404 A C 2.129 179.501 177.584 -0.353 0.000 1.178 404 A CA 2.309 53.843 52.037 -0.838 0.000 0.642 404 A CB -0.406 17.791 19.000 -1.339 0.000 0.816 404 A HN 0.716 nan 8.150 nan 0.000 0.453 405 S N -0.519 115.036 115.700 -0.241 0.000 2.383 405 S HA -0.133 4.258 4.470 -0.132 0.000 0.229 405 S C 1.617 176.151 174.600 -0.109 0.000 1.030 405 S CA 1.602 59.715 58.200 -0.144 0.000 1.002 405 S CB -0.818 62.312 63.200 -0.117 0.000 0.829 405 S HN 0.338 nan 8.310 nan 0.000 0.467 406 V N 2.037 121.889 119.914 -0.104 0.000 2.878 406 V HA 0.010 4.051 4.120 -0.132 0.000 0.250 406 V C 2.276 178.344 176.094 -0.043 0.000 1.075 406 V CA 1.422 63.657 62.300 -0.109 0.000 1.096 406 V CB -0.761 31.006 31.823 -0.094 0.000 0.724 406 V HN 0.426 nan 8.190 nan 0.000 0.467 407 D N 0.396 120.821 120.400 0.041 0.000 2.263 407 D HA -0.196 4.365 4.640 -0.132 0.000 0.208 407 D C 2.178 178.575 176.300 0.162 0.000 0.971 407 D CA 0.787 54.895 54.000 0.178 0.000 0.867 407 D CB 0.016 41.001 40.800 0.308 0.000 0.929 407 D HN 0.161 nan 8.370 nan 0.000 0.492 408 R N -0.907 119.629 120.500 0.060 0.000 2.096 408 R HA -0.211 4.050 4.340 -0.132 0.000 0.240 408 R C 1.976 178.309 176.300 0.055 0.000 1.139 408 R CA 1.558 57.688 56.100 0.051 0.000 0.952 408 R CB -0.963 29.340 30.300 0.004 0.000 0.854 408 R HN 0.346 nan 8.270 nan 0.000 0.436 409 Y N -1.116 119.104 120.300 -0.133 0.000 2.184 409 Y HA -0.181 4.290 4.550 -0.132 0.000 0.290 409 Y C 1.460 177.278 175.900 -0.137 0.000 1.129 409 Y CA 1.662 59.633 58.100 -0.215 0.000 1.144 409 Y CB -0.166 38.019 38.460 -0.459 0.000 0.995 409 Y HN 0.109 nan 8.280 nan 0.000 0.513 410 Y N -1.127 119.295 120.300 0.203 0.000 2.475 410 Y HA 0.009 4.480 4.550 -0.132 0.000 0.289 410 Y C 0.898 176.869 175.900 0.119 0.000 1.121 410 Y CA 0.599 58.777 58.100 0.130 0.000 1.257 410 Y CB -1.202 37.260 38.460 0.002 0.000 1.026 410 Y HN 0.109 nan 8.280 nan 0.000 0.555 411 H N 1.467 120.657 119.070 0.200 0.000 2.964 411 H HA 0.017 4.494 4.556 -0.132 0.000 0.328 411 H C 0.605 175.996 175.328 0.106 0.000 1.030 411 H CA 0.548 56.684 56.048 0.147 0.000 1.445 411 H CB 0.022 29.858 29.762 0.122 0.000 1.449 411 H HN 0.234 nan 8.280 nan 0.000 0.581 412 D N 2.525 122.570 120.400 -0.593 0.000 2.945 412 D HA -0.194 4.367 4.640 -0.132 0.000 0.225 412 D C -0.404 175.793 176.300 -0.170 0.000 1.158 412 D CA 1.368 55.126 54.000 -0.403 0.000 0.805 412 D CB -0.903 39.665 40.800 -0.387 0.000 1.098 412 D HN 0.761 nan 8.370 nan 0.000 0.426 413 T N -4.045 110.470 114.554 -0.066 0.000 2.940 413 T HA 0.430 4.701 4.350 -0.132 0.000 0.288 413 T C 1.082 175.773 174.700 -0.016 0.000 1.045 413 T CA -0.725 61.374 62.100 -0.001 0.000 1.018 413 T CB 1.023 69.978 68.868 0.146 0.000 1.151 413 T HN -0.060 nan 8.240 nan 0.000 0.529 414 Y N -0.586 119.681 120.300 -0.055 0.000 2.569 414 Y HA -0.009 4.461 4.550 -0.132 0.000 0.293 414 Y C 2.066 177.899 175.900 -0.111 0.000 1.144 414 Y CA 1.016 59.059 58.100 -0.094 0.000 1.321 414 Y CB -0.524 37.840 38.460 -0.159 0.000 0.982 414 Y HN 0.835 nan 8.280 nan 0.000 0.558 415 Y N -0.755 119.511 120.300 -0.056 0.000 2.224 415 Y HA -0.262 4.209 4.550 -0.132 0.000 0.289 415 Y C 2.209 177.978 175.900 -0.220 0.000 1.146 415 Y CA 1.569 59.540 58.100 -0.215 0.000 1.182 415 Y CB -0.340 37.906 38.460 -0.357 0.000 0.983 415 Y HN -0.101 nan 8.280 nan 0.000 0.524 416 V N -1.154 118.792 119.914 0.054 0.000 2.358 416 V HA -0.303 3.738 4.120 -0.132 0.000 0.246 416 V C 2.291 178.335 176.094 -0.083 0.000 1.047 416 V CA 1.666 64.014 62.300 0.079 0.000 1.035 416 V CB -0.887 31.040 31.823 0.174 0.000 0.658 416 V HN 0.312 nan 8.190 nan 0.000 0.452 417 V N 0.605 120.347 119.914 -0.287 0.000 2.324 417 V HA -0.313 3.728 4.120 -0.132 0.000 0.250 417 V C 2.726 178.430 176.094 -0.650 0.000 1.060 417 V CA 2.194 64.082 62.300 -0.687 0.000 1.042 417 V CB -1.311 30.191 31.823 -0.536 0.000 0.650 417 V HN 0.565 nan 8.190 nan 0.000 0.450 418 A N -0.277 122.254 122.820 -0.481 0.000 1.877 418 A HA -0.294 3.947 4.320 -0.132 0.000 0.216 418 A C 2.113 179.439 177.584 -0.430 0.000 1.186 418 A CA 2.284 53.992 52.037 -0.549 0.000 0.620 418 A CB -0.895 17.399 19.000 -1.176 0.000 0.822 418 A HN 0.766 nan 8.150 nan 0.000 0.443 419 H N 0.250 119.014 119.070 -0.510 0.000 2.252 419 H HA -0.254 4.223 4.556 -0.132 0.000 0.292 419 H C 1.684 176.873 175.328 -0.232 0.000 1.082 419 H CA 2.820 58.675 56.048 -0.322 0.000 1.229 419 H CB -0.759 28.852 29.762 -0.252 0.000 1.353 419 H HN 0.609 nan 8.280 nan 0.000 0.488 420 F N -1.241 118.428 119.950 -0.468 0.000 2.407 420 F HA 0.064 4.512 4.527 -0.132 0.000 0.299 420 F C 1.992 177.406 175.800 -0.643 0.000 1.097 420 F CA 1.053 58.686 58.000 -0.611 0.000 1.422 420 F CB -0.949 37.801 39.000 -0.418 0.000 1.067 420 F HN 0.191 nan 8.300 nan 0.000 0.539 421 H N -1.393 117.178 119.070 -0.831 0.000 2.428 421 H HA -0.030 4.447 4.556 -0.132 0.000 0.296 421 H C 1.608 176.451 175.328 -0.808 0.000 1.062 421 H CA 2.235 57.689 56.048 -0.991 0.000 1.350 421 H CB -0.448 28.161 29.762 -1.921 0.000 1.403 421 H HN 0.312 nan 8.280 nan 0.000 0.533 422 Y N -0.921 119.052 120.300 -0.546 0.000 2.109 422 Y HA -0.193 4.278 4.550 -0.132 0.000 0.285 422 Y C 2.638 178.293 175.900 -0.407 0.000 1.131 422 Y CA 1.308 59.164 58.100 -0.406 0.000 1.121 422 Y CB -0.353 37.908 38.460 -0.331 0.000 0.987 422 Y HN 0.047 nan 8.280 nan 0.000 0.495 423 V N -0.423 119.294 119.914 -0.327 0.000 2.591 423 V HA -0.190 3.851 4.120 -0.132 0.000 0.249 423 V C 1.773 177.719 176.094 -0.247 0.000 1.053 423 V CA 1.620 63.673 62.300 -0.411 0.000 1.068 423 V CB 0.130 31.569 31.823 -0.640 0.000 0.689 423 V HN 0.455 nan 8.190 nan 0.000 0.462 424 M N -1.650 117.777 119.600 -0.289 0.000 2.962 424 M HA 0.045 4.446 4.480 -0.132 0.000 0.242 424 M C 2.316 178.485 176.300 -0.217 0.000 1.396 424 M CA 1.615 56.771 55.300 -0.240 0.000 1.287 424 M CB 0.255 32.674 32.600 -0.301 0.000 1.168 424 M HN 0.338 nan 8.290 nan 0.000 0.557 425 S N 1.865 117.387 115.700 -0.297 0.000 2.351 425 S HA -0.110 4.281 4.470 -0.132 0.000 0.220 425 S C 1.915 176.433 174.600 -0.137 0.000 1.035 425 S CA 1.492 59.538 58.200 -0.256 0.000 1.031 425 S CB -0.695 62.300 63.200 -0.342 0.000 0.928 425 S HN 0.467 nan 8.310 nan 0.000 0.433 426 L N 1.140 122.261 121.223 -0.169 0.000 2.141 426 L HA 0.002 4.263 4.340 -0.132 0.000 0.209 426 L C 2.794 179.691 176.870 0.046 0.000 1.094 426 L CA 0.962 55.773 54.840 -0.048 0.000 0.763 426 L CB -1.219 40.691 42.059 -0.248 0.000 0.908 426 L HN 0.434 nan 8.230 nan 0.000 0.437 427 G N 0.108 108.892 108.800 -0.027 0.000 2.459 427 G HA2 -0.309 3.571 3.960 -0.132 0.000 0.217 427 G HA3 -0.309 3.571 3.960 -0.132 0.000 0.217 427 G C 1.784 176.903 174.900 0.365 0.000 1.183 427 G CA 0.965 46.137 45.100 0.120 0.000 0.776 427 G HN 0.458 nan 8.290 nan 0.000 0.552 428 A N -0.149 122.768 122.820 0.162 0.000 1.902 428 A HA 0.061 4.302 4.320 -0.132 0.000 0.217 428 A C 2.627 180.238 177.584 0.046 0.000 1.181 428 A CA 1.950 54.042 52.037 0.092 0.000 0.623 428 A CB -0.724 18.256 19.000 -0.033 0.000 0.818 428 A HN 0.291 nan 8.150 nan 0.000 0.443 429 V N -1.353 118.571 119.914 0.018 0.000 2.343 429 V HA -0.210 3.831 4.120 -0.132 0.000 0.247 429 V C 2.302 178.298 176.094 -0.162 0.000 1.051 429 V CA 1.935 64.136 62.300 -0.165 0.000 1.036 429 V CB -0.859 30.916 31.823 -0.080 0.000 0.654 429 V HN 0.547 nan 8.190 nan 0.000 0.451 430 F N 1.184 121.141 119.950 0.012 0.000 2.206 430 F HA 0.051 4.498 4.527 -0.132 0.000 0.298 430 F C 2.349 178.197 175.800 0.080 0.000 1.090 430 F CA 1.120 59.237 58.000 0.195 0.000 1.323 430 F CB -1.327 37.976 39.000 0.505 0.000 1.028 430 F HN 0.182 nan 8.300 nan 0.000 0.492 431 G N 0.403 109.359 108.800 0.260 0.000 2.446 431 G HA2 -0.241 3.640 3.960 -0.132 0.000 0.217 431 G HA3 -0.241 3.640 3.960 -0.132 0.000 0.217 431 G C 1.860 176.748 174.900 -0.020 0.000 1.168 431 G CA 1.119 46.243 45.100 0.040 0.000 0.771 431 G HN 0.344 nan 8.290 nan 0.000 0.551 432 I N -0.126 120.418 120.570 -0.043 0.000 2.163 432 I HA -0.162 3.929 4.170 -0.132 0.000 0.243 432 I C 2.498 178.572 176.117 -0.072 0.000 1.085 432 I CA 0.946 62.246 61.300 -0.001 0.000 1.347 432 I CB -0.277 37.609 38.000 -0.189 0.000 1.044 432 I HN 0.035 nan 8.210 nan 0.000 0.408 433 F N 0.996 120.723 119.950 -0.373 0.000 2.146 433 F HA -0.150 4.298 4.527 -0.132 0.000 0.298 433 F C 2.637 178.144 175.800 -0.489 0.000 1.096 433 F CA 0.936 58.489 58.000 -0.744 0.000 1.275 433 F CB -1.385 36.413 39.000 -2.005 0.000 1.008 433 F HN 0.008 nan 8.300 nan 0.000 0.480 434 A N 0.398 123.105 122.820 -0.189 0.000 1.892 434 A HA -0.137 4.103 4.320 -0.132 0.000 0.218 434 A C 2.638 180.155 177.584 -0.111 0.000 1.188 434 A CA 2.072 54.078 52.037 -0.052 0.000 0.631 434 A CB -1.585 17.340 19.000 -0.124 0.000 0.822 434 A HN 0.406 nan 8.150 nan 0.000 0.447 435 G N -0.266 108.388 108.800 -0.243 0.000 2.421 435 G HA2 -0.181 3.700 3.960 -0.132 0.000 0.216 435 G HA3 -0.181 3.700 3.960 -0.132 0.000 0.216 435 G C 1.556 176.434 174.900 -0.036 0.000 1.171 435 G CA 1.092 45.871 45.100 -0.536 0.000 0.775 435 G HN 0.477 nan 8.290 nan 0.000 0.543 436 I N -0.690 120.054 120.570 0.289 0.000 2.179 436 I HA -0.170 3.921 4.170 -0.132 0.000 0.242 436 I C 2.497 178.739 176.117 0.210 0.000 1.088 436 I CA 1.091 62.613 61.300 0.370 0.000 1.357 436 I CB -0.257 37.919 38.000 0.294 0.000 1.051 436 I HN 0.138 nan 8.210 nan 0.000 0.409 437 Y N -0.474 119.946 120.300 0.200 0.000 2.242 437 Y HA -0.266 4.205 4.550 -0.131 0.000 0.291 437 Y C 2.312 178.514 175.900 0.505 0.000 1.137 437 Y CA 1.514 59.684 58.100 0.117 0.000 1.181 437 Y CB -0.612 37.776 38.460 -0.120 0.000 0.989 437 Y HN 0.073 nan 8.280 nan 0.000 0.527 438 F N -1.216 118.937 119.950 0.338 0.000 2.126 438 F HA -0.251 4.197 4.527 -0.133 0.000 0.299 438 F C 1.342 177.522 175.800 0.634 0.000 1.096 438 F CA 1.567 59.759 58.000 0.320 0.000 1.255 438 F CB -0.213 38.533 39.000 -0.424 0.000 0.997 438 F HN 0.071 nan 8.300 nan 0.000 0.479 439 W N -1.089 120.500 121.300 0.482 0.000 2.870 439 W HA 0.260 4.841 4.660 -0.131 0.000 0.358 439 W C 1.924 178.638 176.519 0.325 0.000 1.043 439 W CA -0.465 57.068 57.345 0.314 0.000 1.692 439 W CB -0.697 28.775 29.460 0.020 0.000 1.100 439 W HN -0.008 nan 8.180 nan 0.000 0.557 440 I N 0.621 121.490 120.570 0.498 0.000 2.264 440 I HA -0.194 3.897 4.170 -0.132 0.000 0.248 440 I C 2.307 178.552 176.117 0.213 0.000 1.111 440 I CA 2.158 63.631 61.300 0.288 0.000 1.382 440 I CB -0.504 37.604 38.000 0.181 0.000 1.060 440 I HN -0.071 nan 8.210 nan 0.000 0.418 441 G N 0.692 109.606 108.800 0.191 0.000 2.459 441 G HA2 -0.381 3.499 3.960 -0.132 0.000 0.217 441 G HA3 -0.381 3.499 3.960 -0.132 0.000 0.217 441 G C 1.629 176.627 174.900 0.163 0.000 1.183 441 G CA 1.220 46.255 45.100 -0.107 0.000 0.776 441 G HN 0.280 nan 8.290 nan 0.000 0.552 442 K N 0.352 121.055 120.400 0.506 0.000 2.063 442 K HA 0.025 4.266 4.320 -0.132 0.000 0.208 442 K C 2.514 179.243 176.600 0.214 0.000 1.048 442 K CA 1.480 58.013 56.287 0.409 0.000 0.928 442 K CB -0.391 32.328 32.500 0.366 0.000 0.713 442 K HN 0.395 nan 8.250 nan 0.000 0.442 443 M N -0.529 119.161 119.600 0.150 0.000 2.388 443 M HA -0.021 4.380 4.480 -0.132 0.000 0.265 443 M C 1.714 178.065 176.300 0.086 0.000 1.088 443 M CA 1.440 56.750 55.300 0.017 0.000 1.134 443 M CB 0.146 32.627 32.600 -0.197 0.000 1.384 443 M HN 0.288 nan 8.290 nan 0.000 0.447 444 S N -1.687 114.060 115.700 0.077 0.000 2.554 444 S HA 0.336 4.727 4.470 -0.132 0.000 0.227 444 S C 1.502 176.116 174.600 0.023 0.000 1.050 444 S CA 0.400 58.632 58.200 0.054 0.000 0.927 444 S CB 0.582 63.803 63.200 0.035 0.000 0.859 444 S HN 0.559 nan 8.310 nan 0.000 0.494 445 G N 1.560 110.370 108.800 0.018 0.000 2.148 445 G HA2 -0.248 3.632 3.960 -0.132 0.000 0.254 445 G HA3 -0.248 3.632 3.960 -0.132 0.000 0.254 445 G C 0.010 174.869 174.900 -0.069 0.000 0.981 445 G CA 0.242 45.331 45.100 -0.018 0.000 0.670 445 G HN 0.632 nan 8.290 nan 0.000 0.528 446 R N -0.817 119.635 120.500 -0.080 0.000 2.750 446 R HA 0.628 4.889 4.340 -0.132 0.000 0.281 446 R C -0.681 175.542 176.300 -0.128 0.000 0.972 446 R CA -0.931 55.101 56.100 -0.112 0.000 0.912 446 R CB 1.518 31.753 30.300 -0.109 0.000 1.187 446 R HN 0.156 nan 8.270 nan 0.000 0.464 447 Q N 1.610 121.315 119.800 -0.159 0.000 2.266 447 Q HA 0.241 4.501 4.340 -0.132 0.000 0.261 447 Q C -1.376 174.586 176.000 -0.063 0.000 0.985 447 Q CA -0.740 54.945 55.803 -0.196 0.000 0.873 447 Q CB 1.037 29.569 28.738 -0.343 0.000 1.306 447 Q HN 0.482 nan 8.270 nan 0.000 0.447 448 Y N 1.651 121.974 120.300 0.040 0.000 2.336 448 Y HA 0.650 5.121 4.550 -0.132 0.000 0.331 448 Y C -2.183 173.782 175.900 0.108 0.000 1.211 448 Y CA -2.660 55.507 58.100 0.110 0.000 1.346 448 Y CB -0.120 38.469 38.460 0.216 0.000 1.271 448 Y HN 0.458 nan 8.280 nan 0.000 0.538 449 P HA 0.084 nan 4.420 nan 0.000 0.282 449 P C -0.035 177.259 177.300 -0.009 0.000 1.274 449 P CA -0.130 62.951 63.100 -0.031 0.000 0.770 449 P CB 1.767 33.378 31.700 -0.149 0.000 0.867 450 E N 4.643 124.857 120.200 0.024 0.000 2.097 450 E HA -0.186 4.085 4.350 -0.132 0.000 0.196 450 E C 1.530 178.249 176.600 0.199 0.000 1.000 450 E CA 1.714 58.223 56.400 0.180 0.000 0.804 450 E CB -0.580 29.210 29.700 0.149 0.000 0.740 450 E HN 0.636 nan 8.360 nan 0.000 0.454 451 W N -0.137 121.267 121.300 0.174 0.000 2.363 451 W HA -0.009 4.573 4.660 -0.131 0.000 0.296 451 W C 1.785 178.444 176.519 0.233 0.000 1.212 451 W CA 1.040 58.482 57.345 0.162 0.000 1.260 451 W CB -1.006 28.524 29.460 0.116 0.000 1.131 451 W HN 0.153 nan 8.180 nan 0.000 0.530 452 A N 2.242 124.603 122.820 -0.765 0.000 1.898 452 A HA 0.048 4.289 4.320 -0.132 0.000 0.216 452 A C 2.427 180.079 177.584 0.112 0.000 1.181 452 A CA 2.291 54.007 52.037 -0.535 0.000 0.620 452 A CB -1.571 16.864 19.000 -0.942 0.000 0.819 452 A HN 0.369 nan 8.150 nan 0.000 0.442 453 G N -0.064 108.794 108.800 0.097 0.000 2.440 453 G HA2 -0.265 3.616 3.960 -0.132 0.000 0.218 453 G HA3 -0.265 3.616 3.960 -0.132 0.000 0.218 453 G C 1.675 176.496 174.900 -0.132 0.000 1.154 453 G CA 1.166 46.221 45.100 -0.075 0.000 0.767 453 G HN 0.568 nan 8.290 nan 0.000 0.552 454 K N -0.542 119.855 120.400 -0.006 0.000 2.097 454 K HA 0.033 4.274 4.320 -0.132 0.000 0.205 454 K C 2.375 179.086 176.600 0.185 0.000 1.050 454 K CA 0.803 57.102 56.287 0.020 0.000 0.938 454 K CB -0.268 32.332 32.500 0.167 0.000 0.718 454 K HN 0.273 nan 8.250 nan 0.000 0.442 455 L N 1.035 122.421 121.223 0.272 0.000 2.056 455 L HA -0.171 4.090 4.340 -0.132 0.000 0.207 455 L C 2.356 179.352 176.870 0.210 0.000 1.078 455 L CA 1.770 56.765 54.840 0.258 0.000 0.749 455 L CB -0.693 41.493 42.059 0.213 0.000 0.901 455 L HN 0.282 nan 8.230 nan 0.000 0.433 456 H N -1.662 117.552 119.070 0.240 0.000 2.290 456 H HA -0.290 4.187 4.556 -0.132 0.000 0.298 456 H C 2.181 177.532 175.328 0.038 0.000 1.087 456 H CA 2.077 58.295 56.048 0.283 0.000 1.291 456 H CB -0.245 29.790 29.762 0.455 0.000 1.369 456 H HN 0.421 nan 8.280 nan 0.000 0.492 457 F N 0.587 120.191 119.950 -0.576 0.000 2.065 457 F HA -0.272 4.175 4.527 -0.132 0.000 0.298 457 F C 1.979 177.359 175.800 -0.699 0.000 1.112 457 F CA 2.104 59.344 58.000 -1.266 0.000 1.212 457 F CB -0.848 37.115 39.000 -1.728 0.000 0.975 457 F HN 0.209 nan 8.300 nan 0.000 0.476 458 W N 0.227 121.358 121.300 -0.282 0.000 2.358 458 W HA -0.200 4.381 4.660 -0.131 0.000 0.303 458 W C 2.564 179.002 176.519 -0.136 0.000 1.208 458 W CA 1.327 58.541 57.345 -0.219 0.000 1.274 458 W CB -0.559 28.879 29.460 -0.036 0.000 1.138 458 W HN 0.037 nan 8.180 nan 0.000 0.515 459 M N -0.924 118.751 119.600 0.125 0.000 2.065 459 M HA -0.271 4.129 4.480 -0.132 0.000 0.259 459 M C 2.286 178.650 176.300 0.107 0.000 1.069 459 M CA 1.798 57.166 55.300 0.114 0.000 1.110 459 M CB -0.769 31.898 32.600 0.112 0.000 1.328 459 M HN 0.023 nan 8.290 nan 0.000 0.405 460 M N 0.045 119.695 119.600 0.083 0.000 2.117 460 M HA -0.175 4.226 4.480 -0.132 0.000 0.262 460 M C 1.890 178.282 176.300 0.153 0.000 1.065 460 M CA 1.854 57.249 55.300 0.159 0.000 1.114 460 M CB -0.587 32.134 32.600 0.202 0.000 1.361 460 M HN 0.221 nan 8.290 nan 0.000 0.408 461 F N -0.700 119.105 119.950 -0.241 0.000 2.206 461 F HA -0.111 4.336 4.527 -0.132 0.000 0.298 461 F C 1.771 177.545 175.800 -0.044 0.000 1.090 461 F CA 1.354 59.235 58.000 -0.198 0.000 1.323 461 F CB -0.136 38.372 39.000 -0.820 0.000 1.028 461 F HN -0.035 nan 8.300 nan 0.000 0.492 462 V N 0.112 120.062 119.914 0.059 0.000 2.307 462 V HA -0.198 3.843 4.120 -0.132 0.000 0.245 462 V C 2.743 178.817 176.094 -0.034 0.000 1.045 462 V CA 1.918 64.229 62.300 0.020 0.000 1.024 462 V CB -1.552 30.338 31.823 0.112 0.000 0.651 462 V HN 0.511 nan 8.190 nan 0.000 0.449 463 G N -0.253 108.555 108.800 0.013 0.000 2.440 463 G HA2 -0.238 3.642 3.960 -0.132 0.000 0.218 463 G HA3 -0.238 3.642 3.960 -0.132 0.000 0.218 463 G C 1.743 176.607 174.900 -0.061 0.000 1.154 463 G CA 1.123 46.223 45.100 -0.000 0.000 0.767 463 G HN 0.611 nan 8.290 nan 0.000 0.552 464 A N 0.799 123.608 122.820 -0.019 0.000 1.969 464 A HA -0.032 4.209 4.320 -0.132 0.000 0.218 464 A C 2.267 179.785 177.584 -0.109 0.000 1.169 464 A CA 1.615 53.646 52.037 -0.010 0.000 0.635 464 A CB -0.342 18.721 19.000 0.106 0.000 0.810 464 A HN 0.367 nan 8.150 nan 0.000 0.445 465 N N 0.053 118.658 118.700 -0.159 0.000 2.171 465 N HA -0.040 4.621 4.740 -0.132 0.000 0.184 465 N C 1.716 177.225 175.510 -0.001 0.000 1.021 465 N CA 1.139 54.156 53.050 -0.056 0.000 0.854 465 N CB -0.303 38.096 38.487 -0.146 0.000 0.994 465 N HN 0.464 nan 8.380 nan 0.000 0.426 466 L N 0.889 122.073 121.223 -0.065 0.000 2.083 466 L HA -0.144 4.117 4.340 -0.132 0.000 0.209 466 L C 2.228 179.003 176.870 -0.158 0.000 1.083 466 L CA 1.049 55.855 54.840 -0.056 0.000 0.752 466 L CB -0.627 41.397 42.059 -0.059 0.000 0.899 466 L HN 0.161 nan 8.230 nan 0.000 0.433 467 T N -0.650 113.703 114.554 -0.336 0.000 2.701 467 T HA -0.116 4.155 4.350 -0.132 0.000 0.263 467 T C 1.408 175.694 174.700 -0.690 0.000 1.040 467 T CA 1.512 63.201 62.100 -0.685 0.000 1.147 467 T CB -0.188 67.968 68.868 -1.187 0.000 0.865 467 T HN 0.130 nan 8.240 nan 0.000 0.426 468 F N -0.794 119.041 119.950 -0.192 0.000 2.622 468 F HA 0.399 4.847 4.527 -0.132 0.000 0.288 468 F C 1.700 177.450 175.800 -0.083 0.000 1.120 468 F CA -1.168 56.696 58.000 -0.227 0.000 1.423 468 F CB -0.591 38.157 39.000 -0.420 0.000 1.127 468 F HN 0.030 nan 8.300 nan 0.000 0.588 469 F N 2.471 122.504 119.950 0.138 0.000 2.095 469 F HA -0.081 4.367 4.527 -0.132 0.000 0.298 469 F C -0.751 174.803 175.800 -0.411 0.000 1.104 469 F CA 1.429 59.462 58.000 0.055 0.000 1.232 469 F CB -1.467 37.542 39.000 0.015 0.000 0.987 469 F HN -0.136 nan 8.300 nan 0.000 0.475 470 P HA -0.153 nan 4.420 nan 0.000 0.225 470 P C 0.969 177.982 177.300 -0.479 0.000 1.148 470 P CA 1.384 64.112 63.100 -0.620 0.000 0.779 470 P CB -0.191 31.486 31.700 -0.038 0.000 0.780 471 Q N -1.702 117.871 119.800 -0.378 0.000 2.364 471 Q HA -0.162 4.099 4.340 -0.132 0.000 0.207 471 Q C 1.664 177.465 176.000 -0.331 0.000 0.970 471 Q CA 0.976 56.618 55.803 -0.269 0.000 0.888 471 Q CB -0.597 28.073 28.738 -0.114 0.000 0.951 471 Q HN 0.523 nan 8.270 nan 0.000 0.469 472 H N -0.741 118.007 119.070 -0.538 0.000 2.353 472 H HA -0.134 4.343 4.556 -0.132 0.000 0.300 472 H C 1.416 176.649 175.328 -0.159 0.000 1.090 472 H CA 1.536 57.275 56.048 -0.515 0.000 1.327 472 H CB 0.047 29.227 29.762 -0.971 0.000 1.383 472 H HN 0.202 nan 8.280 nan 0.000 0.508 473 F N 0.297 120.192 119.950 -0.091 0.000 2.146 473 F HA -0.113 4.335 4.527 -0.132 0.000 0.298 473 F C 2.185 178.059 175.800 0.123 0.000 1.096 473 F CA 0.788 58.753 58.000 -0.059 0.000 1.275 473 F CB -1.014 37.748 39.000 -0.397 0.000 1.008 473 F HN 0.089 nan 8.300 nan 0.000 0.480 474 L N -0.283 121.083 121.223 0.239 0.000 2.046 474 L HA -0.118 4.143 4.340 -0.132 0.000 0.208 474 L C 2.789 179.786 176.870 0.211 0.000 1.077 474 L CA 1.425 56.382 54.840 0.194 0.000 0.747 474 L CB -1.445 40.559 42.059 -0.093 0.000 0.896 474 L HN 0.264 nan 8.230 nan 0.000 0.432 475 G N -0.173 108.776 108.800 0.249 0.000 2.421 475 G HA2 -0.244 3.637 3.960 -0.132 0.000 0.216 475 G HA3 -0.244 3.637 3.960 -0.132 0.000 0.216 475 G C 1.737 176.938 174.900 0.502 0.000 1.171 475 G CA 0.516 45.831 45.100 0.358 0.000 0.775 475 G HN 0.268 nan 8.290 nan 0.000 0.543 476 R N -0.333 120.471 120.500 0.507 0.000 2.096 476 R HA -0.013 4.248 4.340 -0.132 0.000 0.235 476 R C 2.569 179.146 176.300 0.462 0.000 1.127 476 R CA 1.156 57.536 56.100 0.467 0.000 0.968 476 R CB -0.127 30.373 30.300 0.334 0.000 0.861 476 R HN 0.265 nan 8.270 nan 0.000 0.440 477 Q N -0.702 119.370 119.800 0.453 0.000 2.472 477 Q HA 0.046 4.307 4.340 -0.132 0.000 0.208 477 Q C 0.774 177.107 176.000 0.554 0.000 0.958 477 Q CA 1.008 57.093 55.803 0.470 0.000 0.932 477 Q CB 1.160 30.204 28.738 0.510 0.000 1.007 477 Q HN 0.615 nan 8.270 nan 0.000 0.508 478 G N 1.170 110.240 108.800 0.451 0.000 2.138 478 G HA2 -0.235 3.645 3.960 -0.132 0.000 0.193 478 G HA3 -0.235 3.645 3.960 -0.132 0.000 0.193 478 G C 0.025 174.980 174.900 0.092 0.000 0.998 478 G CA 0.148 45.389 45.100 0.235 0.000 0.668 478 G HN 0.303 nan 8.290 nan 0.000 0.516 479 M N 1.671 121.168 119.600 -0.170 0.000 2.251 479 M HA 0.364 4.764 4.480 -0.132 0.000 0.346 479 M C -2.111 174.013 176.300 -0.294 0.000 1.499 479 M CA -1.456 53.432 55.300 -0.687 0.000 1.128 479 M CB 0.687 32.550 32.600 -1.229 0.000 1.809 479 M HN 0.013 nan 8.290 nan 0.000 0.464 480 P HA 0.242 nan 4.420 nan 0.000 0.277 480 P C -1.154 175.944 177.300 -0.337 0.000 1.240 480 P CA -0.258 62.570 63.100 -0.453 0.000 0.798 480 P CB 0.563 31.762 31.700 -0.835 0.000 0.979 481 R N 1.401 121.768 120.500 -0.222 0.000 2.679 481 R HA 0.299 4.559 4.340 -0.132 0.000 0.269 481 R C 0.435 176.795 176.300 0.099 0.000 1.076 481 R CA -0.268 55.745 56.100 -0.145 0.000 1.160 481 R CB -0.011 30.203 30.300 -0.143 0.000 1.054 481 R HN 0.426 nan 8.270 nan 0.000 0.507 482 R N -0.309 120.369 120.500 0.297 0.000 3.656 482 R HA -0.187 4.074 4.340 -0.132 0.000 0.297 482 R C -1.256 175.415 176.300 0.618 0.000 1.166 482 R CA 0.623 57.037 56.100 0.524 0.000 0.799 482 R CB -1.666 28.843 30.300 0.348 0.000 1.285 482 R HN 0.409 nan 8.270 nan 0.000 0.477 483 Y N -0.155 120.230 120.300 0.143 0.000 2.331 483 Y HA 0.275 4.746 4.550 -0.132 0.000 0.338 483 Y C 1.467 176.907 175.900 -0.766 0.000 0.992 483 Y CA -1.591 56.417 58.100 -0.153 0.000 1.121 483 Y CB 0.988 39.424 38.460 -0.039 0.000 1.184 483 Y HN 0.083 nan 8.280 nan 0.000 0.469 484 I N 1.049 121.104 120.570 -0.859 0.000 2.493 484 I HA -0.127 3.964 4.170 -0.132 0.000 0.254 484 I C -0.084 175.676 176.117 -0.594 0.000 1.160 484 I CA 1.538 62.159 61.300 -1.132 0.000 1.445 484 I CB 0.306 38.032 38.000 -0.456 0.000 1.086 484 I HN 0.547 nan 8.210 nan 0.000 0.433 485 D N -1.416 118.798 120.400 -0.310 0.000 2.596 485 D HA 0.368 4.929 4.640 -0.132 0.000 0.234 485 D C -1.576 174.739 176.300 0.025 0.000 1.181 485 D CA -0.330 53.540 54.000 -0.216 0.000 0.856 485 D CB 1.603 42.265 40.800 -0.230 0.000 1.498 485 D HN 0.103 nan 8.370 nan 0.000 0.446 486 Y N -1.570 118.757 120.300 0.045 0.000 2.562 486 Y HA 0.726 5.197 4.550 -0.132 0.000 0.345 486 Y C -2.730 173.309 175.900 0.233 0.000 1.045 486 Y CA -2.507 55.709 58.100 0.193 0.000 1.028 486 Y CB 0.136 38.680 38.460 0.140 0.000 1.297 486 Y HN 0.079 nan 8.280 nan 0.000 0.463 487 P HA -0.007 nan 4.420 nan 0.000 0.265 487 P C 0.642 178.099 177.300 0.262 0.000 1.187 487 P CA 0.374 63.642 63.100 0.280 0.000 0.766 487 P CB 0.936 32.767 31.700 0.218 0.000 0.820 488 E N 3.772 124.019 120.200 0.078 0.000 2.164 488 E HA -0.303 3.968 4.350 -0.132 0.000 0.206 488 E C 1.709 178.342 176.600 0.055 0.000 1.032 488 E CA 2.322 58.750 56.400 0.047 0.000 0.832 488 E CB -0.776 28.915 29.700 -0.015 0.000 0.742 488 E HN 0.501 nan 8.360 nan 0.000 0.460 489 A N -1.057 121.717 122.820 -0.076 0.000 2.172 489 A HA -0.051 4.190 4.320 -0.132 0.000 0.216 489 A C 1.387 178.893 177.584 -0.129 0.000 1.154 489 A CA 0.827 52.763 52.037 -0.168 0.000 0.701 489 A CB -0.567 18.251 19.000 -0.303 0.000 0.789 489 A HN 0.326 nan 8.150 nan 0.000 0.465 490 F N -0.827 119.217 119.950 0.157 0.000 2.765 490 F HA 0.309 4.757 4.527 -0.131 0.000 0.302 490 F C 2.249 178.064 175.800 0.025 0.000 1.111 490 F CA -0.208 57.830 58.000 0.063 0.000 1.359 490 F CB -0.380 38.584 39.000 -0.060 0.000 1.097 490 F HN 0.244 nan 8.300 nan 0.000 0.577 491 A N 0.006 123.007 122.820 0.302 0.000 1.883 491 A HA -0.186 4.054 4.320 -0.132 0.000 0.217 491 A C 2.344 179.992 177.584 0.106 0.000 1.186 491 A CA 2.479 54.682 52.037 0.278 0.000 0.624 491 A CB -1.166 17.936 19.000 0.170 0.000 0.822 491 A HN 0.302 nan 8.150 nan 0.000 0.444 492 T N -1.136 113.383 114.554 -0.058 0.000 2.622 492 T HA -0.233 4.037 4.350 -0.132 0.000 0.266 492 T C 1.572 176.187 174.700 -0.141 0.000 1.047 492 T CA 1.725 63.678 62.100 -0.244 0.000 1.159 492 T CB -0.448 68.072 68.868 -0.580 0.000 0.863 492 T HN 0.740 nan 8.240 nan 0.000 0.422 493 W N 1.693 123.073 121.300 0.134 0.000 2.467 493 W HA 0.052 4.632 4.660 -0.132 0.000 0.275 493 W C 2.513 179.028 176.519 -0.006 0.000 1.239 493 W CA -0.373 57.045 57.345 0.122 0.000 1.266 493 W CB -0.353 29.233 29.460 0.210 0.000 1.112 493 W HN 0.198 nan 8.180 nan 0.000 0.576 494 N N 0.282 119.044 118.700 0.103 0.000 2.166 494 N HA -0.201 4.460 4.740 -0.132 0.000 0.186 494 N C 1.486 177.011 175.510 0.025 0.000 1.019 494 N CA 1.466 54.468 53.050 -0.080 0.000 0.856 494 N CB -0.685 37.624 38.487 -0.297 0.000 0.993 494 N HN 0.157 nan 8.380 nan 0.000 0.426 495 F N 1.673 121.610 119.950 -0.022 0.000 2.113 495 F HA -0.106 4.343 4.527 -0.132 0.000 0.297 495 F C 2.241 178.018 175.800 -0.039 0.000 1.103 495 F CA 0.838 58.825 58.000 -0.020 0.000 1.248 495 F CB -0.341 38.653 39.000 -0.011 0.000 0.999 495 F HN -0.249 nan 8.300 nan 0.000 0.475 496 V N -0.651 119.349 119.914 0.144 0.000 2.343 496 V HA -0.303 3.738 4.120 -0.132 0.000 0.247 496 V C 2.635 178.671 176.094 -0.096 0.000 1.051 496 V CA 2.012 64.361 62.300 0.083 0.000 1.036 496 V CB -1.129 30.913 31.823 0.364 0.000 0.654 496 V HN 0.498 nan 8.190 nan 0.000 0.451 497 S N -0.211 115.433 115.700 -0.094 0.000 2.359 497 S HA -0.234 4.156 4.470 -0.132 0.000 0.224 497 S C 2.224 176.558 174.600 -0.444 0.000 1.035 497 S CA 2.245 60.286 58.200 -0.265 0.000 1.018 497 S CB -0.336 62.708 63.200 -0.261 0.000 0.876 497 S HN 0.630 nan 8.310 nan 0.000 0.448 498 S N 1.368 116.770 115.700 -0.496 0.000 2.382 498 S HA 0.065 4.456 4.470 -0.132 0.000 0.228 498 S C 1.782 175.620 174.600 -1.270 0.000 1.027 498 S CA 1.168 58.861 58.200 -0.846 0.000 0.991 498 S CB -0.434 62.367 63.200 -0.665 0.000 0.823 498 S HN 0.461 nan 8.310 nan 0.000 0.469 499 L N 0.928 121.669 121.223 -0.803 0.000 2.046 499 L HA -0.078 4.182 4.340 -0.132 0.000 0.208 499 L C 2.799 179.463 176.870 -0.344 0.000 1.077 499 L CA 1.281 55.809 54.840 -0.519 0.000 0.747 499 L CB -1.263 40.594 42.059 -0.336 0.000 0.896 499 L HN 0.421 nan 8.230 nan 0.000 0.432 500 G N -0.252 108.356 108.800 -0.321 0.000 2.440 500 G HA2 -0.281 3.600 3.960 -0.132 0.000 0.218 500 G HA3 -0.281 3.600 3.960 -0.132 0.000 0.218 500 G C 1.757 176.510 174.900 -0.246 0.000 1.154 500 G CA 0.879 45.838 45.100 -0.235 0.000 0.767 500 G HN 0.478 nan 8.290 nan 0.000 0.552 501 A N 0.395 122.968 122.820 -0.411 0.000 1.933 501 A HA 0.156 4.396 4.320 -0.132 0.000 0.218 501 A C 2.124 179.691 177.584 -0.027 0.000 1.175 501 A CA 1.463 53.318 52.037 -0.305 0.000 0.628 501 A CB -0.451 18.293 19.000 -0.426 0.000 0.814 501 A HN 0.272 nan 8.150 nan 0.000 0.444 502 F N -0.531 119.408 119.950 -0.017 0.000 2.146 502 F HA -0.046 4.401 4.527 -0.132 0.000 0.298 502 F C 1.980 177.870 175.800 0.150 0.000 1.096 502 F CA 0.653 58.704 58.000 0.086 0.000 1.275 502 F CB -1.215 37.804 39.000 0.032 0.000 1.008 502 F HN 0.257 nan 8.300 nan 0.000 0.480 503 L N -0.124 121.234 121.223 0.226 0.000 2.046 503 L HA -0.149 4.111 4.340 -0.132 0.000 0.208 503 L C 2.295 179.289 176.870 0.207 0.000 1.077 503 L CA 1.728 56.675 54.840 0.177 0.000 0.747 503 L CB -1.174 40.943 42.059 0.096 0.000 0.896 503 L HN -0.002 nan 8.230 nan 0.000 0.432 504 S N -0.635 115.181 115.700 0.193 0.000 2.368 504 S HA -0.183 4.208 4.470 -0.132 0.000 0.225 504 S C 1.781 176.610 174.600 0.381 0.000 1.030 504 S CA 1.481 59.832 58.200 0.251 0.000 0.999 504 S CB -0.670 62.638 63.200 0.180 0.000 0.844 504 S HN 0.554 nan 8.310 nan 0.000 0.459 505 F N 2.663 122.750 119.950 0.227 0.000 2.134 505 F HA -0.071 4.376 4.527 -0.133 0.000 0.299 505 F C 2.327 178.321 175.800 0.322 0.000 1.097 505 F CA 0.763 58.933 58.000 0.283 0.000 1.264 505 F CB -0.923 38.226 39.000 0.249 0.000 1.001 505 F HN 0.171 nan 8.300 nan 0.000 0.479 506 A N -0.302 122.650 122.820 0.220 0.000 1.933 506 A HA -0.195 4.046 4.320 -0.132 0.000 0.218 506 A C 2.418 180.107 177.584 0.176 0.000 1.175 506 A CA 2.146 54.245 52.037 0.103 0.000 0.628 506 A CB -1.441 17.642 19.000 0.138 0.000 0.814 506 A HN 0.514 nan 8.150 nan 0.000 0.444 507 S N -1.293 114.568 115.700 0.268 0.000 2.382 507 S HA -0.187 4.204 4.470 -0.132 0.000 0.228 507 S C 1.829 176.687 174.600 0.430 0.000 1.027 507 S CA 1.590 60.015 58.200 0.375 0.000 0.991 507 S CB -0.628 62.820 63.200 0.414 0.000 0.823 507 S HN 0.512 nan 8.310 nan 0.000 0.469 508 F N 2.173 122.266 119.950 0.237 0.000 2.128 508 F HA 0.252 4.699 4.527 -0.133 0.000 0.295 508 F C 1.992 177.883 175.800 0.152 0.000 1.100 508 F CA 0.810 58.953 58.000 0.239 0.000 1.260 508 F CB -0.436 38.740 39.000 0.294 0.000 1.009 508 F HN 0.143 nan 8.300 nan 0.000 0.476 509 L N -0.915 120.298 121.223 -0.018 0.000 2.013 509 L HA -0.264 3.997 4.340 -0.132 0.000 0.212 509 L C 2.490 179.309 176.870 -0.085 0.000 1.073 509 L CA 1.796 56.539 54.840 -0.162 0.000 0.753 509 L CB -1.050 40.869 42.059 -0.232 0.000 0.890 509 L HN 0.220 nan 8.230 nan 0.000 0.432 510 F N 0.579 120.467 119.950 -0.102 0.000 2.095 510 F HA -0.330 4.118 4.527 -0.131 0.000 0.298 510 F C 2.403 178.107 175.800 -0.161 0.000 1.104 510 F CA 1.588 59.541 58.000 -0.080 0.000 1.232 510 F CB -0.480 38.524 39.000 0.007 0.000 0.987 510 F HN 0.017 nan 8.300 nan 0.000 0.475 511 F N 0.859 120.547 119.950 -0.438 0.000 2.091 511 F HA -0.247 4.201 4.527 -0.133 0.000 0.299 511 F C 1.907 177.403 175.800 -0.507 0.000 1.103 511 F CA 1.980 59.561 58.000 -0.698 0.000 1.228 511 F CB -0.792 37.582 39.000 -1.042 0.000 0.984 511 F HN 0.003 nan 8.300 nan 0.000 0.477 512 L N 0.156 120.969 121.223 -0.683 0.000 2.079 512 L HA -0.161 4.099 4.340 -0.132 0.000 0.210 512 L C 2.841 179.467 176.870 -0.407 0.000 1.081 512 L CA 1.279 55.754 54.840 -0.609 0.000 0.752 512 L CB -1.692 40.123 42.059 -0.407 0.000 0.896 512 L HN 0.409 nan 8.230 nan 0.000 0.433 513 G N -0.141 108.444 108.800 -0.358 0.000 2.459 513 G HA2 -0.237 3.644 3.960 -0.132 0.000 0.217 513 G HA3 -0.237 3.644 3.960 -0.132 0.000 0.217 513 G C 1.583 176.327 174.900 -0.261 0.000 1.183 513 G CA 1.037 45.983 45.100 -0.256 0.000 0.776 513 G HN 0.193 nan 8.290 nan 0.000 0.552 514 V N 1.394 120.994 119.914 -0.522 0.000 2.380 514 V HA -0.184 3.857 4.120 -0.132 0.000 0.251 514 V C 2.800 178.744 176.094 -0.250 0.000 1.063 514 V CA 1.302 63.355 62.300 -0.413 0.000 1.055 514 V CB -0.352 31.185 31.823 -0.477 0.000 0.657 514 V HN 0.295 nan 8.190 nan 0.000 0.455 515 I N -0.895 119.411 120.570 -0.439 0.000 2.233 515 I HA -0.173 3.918 4.170 -0.132 0.000 0.243 515 I C 2.308 178.349 176.117 -0.127 0.000 1.093 515 I CA 1.634 62.723 61.300 -0.351 0.000 1.380 515 I CB -1.148 36.510 38.000 -0.569 0.000 1.067 515 I HN 0.346 nan 8.210 nan 0.000 0.413 516 F N 1.400 121.226 119.950 -0.206 0.000 2.091 516 F HA -0.339 4.108 4.527 -0.133 0.000 0.299 516 F C 2.800 178.558 175.800 -0.071 0.000 1.103 516 F CA 1.849 59.780 58.000 -0.115 0.000 1.228 516 F CB -0.790 38.145 39.000 -0.107 0.000 0.984 516 F HN 0.084 nan 8.300 nan 0.000 0.477 517 Y N 0.964 121.220 120.300 -0.073 0.000 2.097 517 Y HA -0.278 4.193 4.550 -0.132 0.000 0.282 517 Y C 2.526 178.321 175.900 -0.176 0.000 1.152 517 Y CA 2.611 60.636 58.100 -0.124 0.000 1.136 517 Y CB -1.042 37.383 38.460 -0.058 0.000 0.975 517 Y HN 0.068 nan 8.280 nan 0.000 0.498 518 T N 1.429 115.938 114.554 -0.074 0.000 2.665 518 T HA -0.233 4.038 4.350 -0.132 0.000 0.268 518 T C 1.946 176.509 174.700 -0.228 0.000 1.035 518 T CA 2.046 64.077 62.100 -0.116 0.000 1.151 518 T CB -0.582 68.293 68.868 0.011 0.000 0.862 518 T HN 0.348 nan 8.240 nan 0.000 0.438 519 L N 0.980 122.065 121.223 -0.230 0.000 2.291 519 L HA -0.015 4.246 4.340 -0.132 0.000 0.214 519 L C 2.822 179.520 176.870 -0.287 0.000 1.120 519 L CA 1.383 56.102 54.840 -0.202 0.000 0.799 519 L CB -0.699 41.285 42.059 -0.125 0.000 0.925 519 L HN 0.479 nan 8.230 nan 0.000 0.446 520 T N -2.960 111.324 114.554 -0.450 0.000 3.015 520 T HA 0.036 4.307 4.350 -0.132 0.000 0.250 520 T C 1.326 175.788 174.700 -0.397 0.000 1.057 520 T CA -0.133 61.692 62.100 -0.458 0.000 1.066 520 T CB 0.198 68.652 68.868 -0.690 0.000 0.959 520 T HN 0.467 nan 8.240 nan 0.000 0.488 521 R N 0.333 120.524 120.500 -0.515 0.000 2.493 521 R HA 0.390 4.651 4.340 -0.132 0.000 0.404 521 R C 0.531 176.483 176.300 -0.581 0.000 0.834 521 R CA -0.643 55.162 56.100 -0.491 0.000 1.056 521 R CB -0.242 29.791 30.300 -0.445 0.000 1.620 521 R HN 0.209 nan 8.270 nan 0.000 0.570 522 G N 1.064 109.578 108.800 -0.476 0.000 2.569 522 G HA2 0.459 4.340 3.960 -0.132 0.000 0.249 522 G HA3 0.459 4.340 3.960 -0.132 0.000 0.249 522 G C 0.180 174.992 174.900 -0.148 0.000 1.216 522 G CA -0.130 44.808 45.100 -0.270 0.000 0.845 522 G HN 0.423 nan 8.290 nan 0.000 0.568 523 A N 1.632 124.410 122.820 -0.070 0.000 2.584 523 A HA 0.162 4.403 4.320 -0.132 0.000 0.239 523 A C 1.084 178.605 177.584 -0.104 0.000 1.043 523 A CA 0.183 52.178 52.037 -0.070 0.000 0.756 523 A CB 0.002 18.967 19.000 -0.058 0.000 0.963 523 A HN 0.706 nan 8.150 nan 0.000 0.511 524 R N 1.627 122.074 120.500 -0.088 0.000 2.522 524 R HA 0.187 4.448 4.340 -0.132 0.000 0.284 524 R C -0.450 175.789 176.300 -0.102 0.000 1.032 524 R CA -0.073 55.975 56.100 -0.087 0.000 1.049 524 R CB 0.332 30.595 30.300 -0.061 0.000 0.956 524 R HN 0.528 nan 8.270 nan 0.000 0.422 525 V N 3.455 123.299 119.914 -0.116 0.000 2.530 525 V HA 0.024 4.065 4.120 -0.132 0.000 0.282 525 V C 1.092 177.156 176.094 -0.050 0.000 1.048 525 V CA 0.283 62.503 62.300 -0.132 0.000 0.997 525 V CB 1.506 33.215 31.823 -0.190 0.000 0.987 525 V HN 0.892 nan 8.190 nan 0.000 0.477 526 T N 2.993 117.531 114.554 -0.027 0.000 3.056 526 T HA 0.296 4.567 4.350 -0.132 0.000 0.241 526 T C 0.736 175.458 174.700 0.037 0.000 1.006 526 T CA 0.748 62.849 62.100 0.001 0.000 1.115 526 T CB 0.367 69.231 68.868 -0.007 0.000 0.939 526 T HN 0.775 nan 8.240 nan 0.000 0.462 527 A N 1.372 124.234 122.820 0.070 0.000 2.293 527 A HA 0.506 4.747 4.320 -0.132 0.000 0.302 527 A C 0.938 178.619 177.584 0.162 0.000 1.119 527 A CA -0.543 51.553 52.037 0.099 0.000 0.823 527 A CB 0.395 19.447 19.000 0.087 0.000 1.097 527 A HN 0.237 nan 8.150 nan 0.000 0.491 528 N N 0.915 119.694 118.700 0.132 0.000 2.036 528 N HA -0.128 4.533 4.740 -0.132 0.000 0.195 528 N C 0.301 175.955 175.510 0.240 0.000 1.037 528 N CA 1.565 54.716 53.050 0.168 0.000 0.855 528 N CB -0.163 38.398 38.487 0.124 0.000 1.033 528 N HN 0.699 nan 8.380 nan 0.000 0.423 529 N N 0.171 118.954 118.700 0.138 0.000 2.564 529 N HA 0.031 4.691 4.740 -0.132 0.000 0.248 529 N C -0.557 174.854 175.510 -0.165 0.000 0.986 529 N CA -0.350 52.689 53.050 -0.019 0.000 0.921 529 N CB 0.393 38.870 38.487 -0.017 0.000 1.136 529 N HN 0.210 nan 8.380 nan 0.000 0.509 530 Y N 1.259 121.418 120.300 -0.235 0.000 2.457 530 Y HA 0.389 4.859 4.550 -0.132 0.000 0.263 530 Y C 0.951 176.585 175.900 -0.444 0.000 1.164 530 Y CA -0.783 57.109 58.100 -0.347 0.000 1.274 530 Y CB -0.246 37.963 38.460 -0.417 0.000 1.097 530 Y HN 0.350 nan 8.280 nan 0.000 0.523 531 W N 2.135 123.172 121.300 -0.437 0.000 3.112 531 W HA 0.196 4.776 4.660 -0.133 0.000 0.284 531 W C 0.146 176.497 176.519 -0.280 0.000 1.039 531 W CA 0.491 57.604 57.345 -0.386 0.000 1.921 531 W CB -0.063 28.940 29.460 -0.762 0.000 1.267 531 W HN 0.138 nan 8.180 nan 0.000 0.520 532 N N -2.880 115.769 118.700 -0.084 0.000 3.355 532 N HA 0.149 4.810 4.740 -0.132 0.000 0.238 532 N C 0.129 175.567 175.510 -0.121 0.000 1.466 532 N CA 0.162 53.173 53.050 -0.064 0.000 0.882 532 N CB 0.172 38.660 38.487 0.001 0.000 1.406 532 N HN 0.010 nan 8.380 nan 0.000 0.500 533 E N -0.852 119.286 120.200 -0.103 0.000 2.160 533 E HA -0.190 4.081 4.350 -0.132 0.000 0.195 533 E C 1.035 177.473 176.600 -0.270 0.000 0.991 533 E CA 2.116 58.397 56.400 -0.198 0.000 0.810 533 E CB -1.295 28.241 29.700 -0.275 0.000 0.742 533 E HN 0.722 nan 8.360 nan 0.000 0.466 534 H N -0.525 118.478 119.070 -0.112 0.000 2.555 534 H HA 0.507 4.984 4.556 -0.132 0.000 0.269 534 H C 1.192 176.432 175.328 -0.146 0.000 0.988 534 H CA 0.446 56.429 56.048 -0.110 0.000 1.178 534 H CB 0.383 30.079 29.762 -0.110 0.000 1.373 534 H HN 0.463 nan 8.280 nan 0.000 0.588 535 A N 1.837 124.560 122.820 -0.161 0.000 2.805 535 A HA 0.101 4.342 4.320 -0.132 0.000 0.301 535 A C 0.050 177.611 177.584 -0.039 0.000 1.557 535 A CA -0.338 51.537 52.037 -0.269 0.000 1.254 535 A CB -0.496 17.946 19.000 -0.929 0.000 1.114 535 A HN 0.455 nan 8.150 nan 0.000 0.553 536 D N 0.878 121.356 120.400 0.130 0.000 2.501 536 D HA 0.080 4.641 4.640 -0.132 0.000 0.226 536 D C 0.545 176.963 176.300 0.198 0.000 1.198 536 D CA 0.309 54.387 54.000 0.131 0.000 0.830 536 D CB -0.331 40.487 40.800 0.030 0.000 1.014 536 D HN 0.368 nan 8.370 nan 0.000 0.496 537 T N -2.983 111.786 114.554 0.357 0.000 2.912 537 T HA 0.392 4.663 4.350 -0.132 0.000 0.280 537 T C 1.428 176.277 174.700 0.249 0.000 0.989 537 T CA -0.889 61.346 62.100 0.224 0.000 0.995 537 T CB 1.186 70.107 68.868 0.088 0.000 1.077 537 T HN -0.018 nan 8.240 nan 0.000 0.531 538 L N 0.824 122.161 121.223 0.191 0.000 2.265 538 L HA -0.049 4.212 4.340 -0.132 0.000 0.215 538 L C 2.997 179.995 176.870 0.213 0.000 1.117 538 L CA 1.273 56.259 54.840 0.245 0.000 0.782 538 L CB -0.557 41.690 42.059 0.314 0.000 0.914 538 L HN 0.847 nan 8.230 nan 0.000 0.441 539 E N 0.029 120.284 120.200 0.093 0.000 2.268 539 E HA -0.241 4.030 4.350 -0.132 0.000 0.195 539 E C 1.593 178.082 176.600 -0.185 0.000 0.995 539 E CA 1.074 57.431 56.400 -0.071 0.000 0.836 539 E CB -0.503 29.152 29.700 -0.075 0.000 0.763 539 E HN 0.613 nan 8.360 nan 0.000 0.491 540 W N 2.186 123.593 121.300 0.179 0.000 3.077 540 W HA 0.033 4.614 4.660 -0.130 0.000 0.245 540 W C 1.976 178.530 176.519 0.057 0.000 1.316 540 W CA 0.921 58.312 57.345 0.077 0.000 1.537 540 W CB 0.179 29.663 29.460 0.040 0.000 1.131 540 W HN 0.153 nan 8.180 nan 0.000 0.695 541 T N -2.556 112.130 114.554 0.220 0.000 3.060 541 T HA 0.230 4.501 4.350 -0.132 0.000 0.249 541 T C 0.595 175.345 174.700 0.082 0.000 1.079 541 T CA 0.018 62.207 62.100 0.149 0.000 1.013 541 T CB -0.220 68.735 68.868 0.146 0.000 0.975 541 T HN -0.121 nan 8.240 nan 0.000 0.518 542 L N 2.267 123.520 121.223 0.050 0.000 2.416 542 L HA 0.526 4.787 4.340 -0.132 0.000 0.263 542 L C 1.161 178.046 176.870 0.025 0.000 1.065 542 L CA -1.264 53.563 54.840 -0.021 0.000 0.798 542 L CB 0.863 42.853 42.059 -0.113 0.000 1.267 542 L HN 0.156 nan 8.230 nan 0.000 0.467 543 T N -2.322 112.232 114.554 -0.001 0.000 2.698 543 T HA 0.248 4.519 4.350 -0.132 0.000 0.295 543 T C 0.062 174.800 174.700 0.063 0.000 1.007 543 T CA -0.715 61.404 62.100 0.031 0.000 0.980 543 T CB 0.756 69.625 68.868 0.002 0.000 1.036 543 T HN 0.475 nan 8.240 nan 0.000 0.526 544 S N 2.849 118.599 115.700 0.084 0.000 2.718 544 S HA 0.438 4.829 4.470 -0.132 0.000 0.294 544 S C -2.411 172.226 174.600 0.061 0.000 1.157 544 S CA -0.957 57.312 58.200 0.115 0.000 1.121 544 S CB 1.036 64.354 63.200 0.197 0.000 1.015 544 S HN 0.693 nan 8.310 nan 0.000 0.479 545 P HA 0.391 nan 4.420 nan 0.000 0.274 545 P C -2.923 174.388 177.300 0.018 0.000 1.256 545 P CA -1.682 61.455 63.100 0.061 0.000 0.795 545 P CB -0.583 31.150 31.700 0.055 0.000 1.038 546 P HA 0.220 nan 4.420 nan 0.000 0.272 546 P C -2.261 174.971 177.300 -0.114 0.000 1.230 546 P CA -0.943 62.106 63.100 -0.084 0.000 0.788 546 P CB -1.351 30.264 31.700 -0.142 0.000 0.949 547 P HA 0.055 nan 4.420 nan 0.000 0.269 547 P C 1.214 178.417 177.300 -0.160 0.000 1.215 547 P CA 0.343 63.364 63.100 -0.132 0.000 0.780 547 P CB 0.039 31.661 31.700 -0.131 0.000 0.898 548 E N 0.543 120.655 120.200 -0.148 0.000 2.065 548 E HA -0.225 4.045 4.350 -0.132 0.000 0.201 548 E C 1.193 177.698 176.600 -0.158 0.000 1.016 548 E CA 2.324 58.623 56.400 -0.168 0.000 0.818 548 E CB -1.856 27.753 29.700 -0.150 0.000 0.749 548 E HN 0.855 nan 8.360 nan 0.000 0.453 549 H N 0.272 119.268 119.070 -0.124 0.000 2.623 549 H HA 0.618 5.095 4.556 -0.132 0.000 0.299 549 H C 0.507 175.767 175.328 -0.112 0.000 1.052 549 H CA -0.044 55.947 56.048 -0.095 0.000 1.231 549 H CB 0.455 30.177 29.762 -0.066 0.000 1.389 549 H HN 0.577 nan 8.280 nan 0.000 0.469 550 T N 0.189 114.665 114.554 -0.129 0.000 2.927 550 T HA 0.585 4.855 4.350 -0.132 0.000 0.281 550 T C -0.122 174.508 174.700 -0.118 0.000 0.998 550 T CA 0.176 62.120 62.100 -0.260 0.000 1.019 550 T CB 0.603 69.185 68.868 -0.478 0.000 1.061 550 T HN 1.020 nan 8.240 nan 0.000 0.518 551 F N 0.000 119.934 119.950 -0.026 0.000 2.286 551 F HA 0.000 4.447 4.527 -0.133 0.000 0.279 551 F CA 0.000 57.983 58.000 -0.029 0.000 1.383 551 F CB 0.000 38.977 39.000 -0.038 0.000 1.145 551 F HN 0.000 nan 8.300 nan 0.000 0.574