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 3hbb_1_A DATA FIRST_RESID 2 DATA SEQUENCE SLFKIRMPET VAEGTRLALR AFSLVVAVDE RGGIGDGRSI PWNVPEDMKF DATA SEQUENCE FRDVTTKLRG KNVKPSPAKR NAVVMGRKTW DSIPPKFRPL PGRLNVVLSS DATA SEQUENCE TLTTQHLLDG LPDEXXXXXH ADSIVAVNGG LEQALQLLAS PNYTPSIETV DATA SEQUENCE YCIGGGSVYA EALRPPCVHL LQAIYRTTIR ASESSCSVFF RVPESGTEAA DATA SEQUENCE AGIEWQRETI SEELTSANGN ETKYYFEKLI PRNREEEQYL SLVDRIIREG DATA SEQUENCE NVKHDRTGVG TLSIFGAQMR FSLRNNRLPL LTTKRVFWRG VCEELLWFLR DATA SEQUENCE GETYAKKLSD KGVHIWDDNG SRAFLDSRGL TEYEEMDLGP VYGFQWRHFG DATA SEQUENCE AAYTHHDANY DGQGVDQIKA IVETLKTNPD DRRMLFTAWN PSALPRMALP DATA SEQUENCE PCHLLAQFYV SNGELSCMLY QRSCDMGLGV PFNIASYALL TILIAKATGL DATA SEQUENCE RPGELVHTLG DAHVYSNHVE PCNEQLKRVP RAFPYLVFRR EREFLEDYEE DATA SEQUENCE GDMEVIDYAP YPPIS 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 2 S HA 0.000 nan 4.470 nan 0.000 0.327 2 S C 0.000 174.546 174.600 -0.090 0.000 1.055 2 S CA 0.000 58.138 58.200 -0.103 0.000 1.107 2 S CB 0.000 63.180 63.200 -0.034 0.000 0.593 3 L N 0.712 121.762 121.223 -0.288 0.000 4.813 3 L HA -0.200 4.139 4.340 -0.001 0.000 0.434 3 L C -0.091 176.669 176.870 -0.183 0.000 1.106 3 L CA 1.220 55.944 54.840 -0.193 0.000 0.991 3 L CB -2.148 39.836 42.059 -0.125 0.000 2.005 3 L HN 0.514 nan 8.230 nan 0.000 0.817 4 F N 0.642 120.541 119.950 -0.085 0.000 2.797 4 F HA 0.159 4.686 4.527 -0.001 0.000 0.302 4 F C 1.720 177.497 175.800 -0.038 0.000 1.130 4 F CA 0.330 58.307 58.000 -0.039 0.000 1.387 4 F CB 0.138 39.126 39.000 -0.020 0.000 1.107 4 F HN 0.127 nan 8.300 nan 0.000 0.577 5 K N 0.206 120.641 120.400 0.058 0.000 2.127 5 K HA 0.454 4.774 4.320 -0.001 0.000 0.240 5 K C -0.366 176.344 176.600 0.183 0.000 1.024 5 K CA -0.646 55.679 56.287 0.064 0.000 0.918 5 K CB 1.073 33.500 32.500 -0.122 0.000 1.108 5 K HN -0.111 nan 8.250 nan 0.000 0.485 6 I N 1.760 122.468 120.570 0.230 0.000 2.304 6 I HA 0.172 4.342 4.170 -0.001 0.000 0.291 6 I C 0.283 176.558 176.117 0.263 0.000 1.018 6 I CA -0.423 60.993 61.300 0.194 0.000 1.260 6 I CB 1.062 39.120 38.000 0.096 0.000 1.390 6 I HN 0.397 nan 8.210 nan 0.000 0.475 7 R N 7.360 127.952 120.500 0.154 0.000 2.267 7 R HA 0.305 4.644 4.340 -0.001 0.000 0.319 7 R C -0.207 176.011 176.300 -0.136 0.000 1.067 7 R CA -0.685 55.330 56.100 -0.141 0.000 0.936 7 R CB 0.597 30.788 30.300 -0.182 0.000 1.006 7 R HN 0.474 nan 8.270 nan 0.000 0.452 8 M N 4.997 124.486 119.600 -0.185 0.000 2.245 8 M HA 0.185 4.665 4.480 -0.001 0.000 0.330 8 M C -1.829 174.402 176.300 -0.116 0.000 1.098 8 M CA -2.069 53.169 55.300 -0.103 0.000 1.172 8 M CB -0.026 32.536 32.600 -0.062 0.000 1.467 8 M HN 0.525 nan 8.290 nan 0.000 0.454 9 P HA 0.072 nan 4.420 nan 0.000 0.274 9 P C 0.625 177.880 177.300 -0.075 0.000 1.246 9 P CA -0.233 62.822 63.100 -0.075 0.000 0.795 9 P CB 0.364 32.028 31.700 -0.060 0.000 1.006 10 E N -0.371 119.790 120.200 -0.065 0.000 2.107 10 E HA -0.045 4.304 4.350 -0.001 0.000 0.191 10 E C -0.022 176.552 176.600 -0.043 0.000 0.982 10 E CA 1.535 57.901 56.400 -0.058 0.000 0.809 10 E CB -1.028 28.642 29.700 -0.050 0.000 0.756 10 E HN 0.390 nan 8.360 nan 0.000 0.459 11 T N 1.414 115.945 114.554 -0.037 0.000 2.930 11 T HA 0.510 4.859 4.350 -0.001 0.000 0.290 11 T C -0.026 174.659 174.700 -0.025 0.000 1.052 11 T CA -0.476 61.608 62.100 -0.026 0.000 1.017 11 T CB 2.260 71.116 68.868 -0.020 0.000 1.137 11 T HN 0.108 nan 8.240 nan 0.000 0.511 12 V N 0.120 120.026 119.914 -0.015 0.000 2.637 12 V HA 0.611 4.730 4.120 -0.001 0.000 0.296 12 V C 0.797 176.887 176.094 -0.007 0.000 1.046 12 V CA -1.337 60.957 62.300 -0.009 0.000 1.066 12 V CB -0.670 31.156 31.823 0.006 0.000 0.968 12 V HN 1.110 nan 8.190 nan 0.000 0.483 13 A N 3.051 125.867 122.820 -0.007 0.000 2.546 13 A HA 0.148 4.468 4.320 -0.001 0.000 0.243 13 A C 0.550 178.137 177.584 0.005 0.000 1.063 13 A CA -0.083 51.952 52.037 -0.004 0.000 0.757 13 A CB -0.552 18.447 19.000 -0.001 0.000 0.991 13 A HN 0.987 nan 8.150 nan 0.000 0.503 14 E N 0.902 121.104 120.200 0.003 0.000 2.606 14 E HA 0.269 4.618 4.350 -0.001 0.000 0.248 14 E C 1.267 177.875 176.600 0.014 0.000 1.005 14 E CA 1.445 57.849 56.400 0.007 0.000 0.946 14 E CB 0.032 29.734 29.700 0.003 0.000 0.928 14 E HN 1.185 nan 8.360 nan 0.000 0.494 15 G N 2.621 111.431 108.800 0.017 0.000 2.231 15 G HA2 -0.270 3.690 3.960 -0.001 0.000 0.206 15 G HA3 -0.270 3.690 3.960 -0.001 0.000 0.206 15 G C 0.471 175.388 174.900 0.028 0.000 0.996 15 G CA -0.033 45.081 45.100 0.023 0.000 0.645 15 G HN 0.658 nan 8.290 nan 0.000 0.498 16 T N -0.495 114.076 114.554 0.028 0.000 2.856 16 T HA 0.539 4.888 4.350 -0.001 0.000 0.306 16 T C 0.256 174.975 174.700 0.032 0.000 1.062 16 T CA 0.585 62.706 62.100 0.036 0.000 1.083 16 T CB 2.041 70.933 68.868 0.039 0.000 0.984 16 T HN 0.942 nan 8.240 nan 0.000 0.542 17 R N 1.376 121.897 120.500 0.036 0.000 2.744 17 R HA 0.445 4.785 4.340 -0.001 0.000 0.279 17 R C -1.158 175.153 176.300 0.020 0.000 0.977 17 R CA -0.954 55.160 56.100 0.024 0.000 0.906 17 R CB 1.285 31.598 30.300 0.021 0.000 1.197 17 R HN 0.707 nan 8.270 nan 0.000 0.463 18 L N 2.747 123.976 121.223 0.010 0.000 2.455 18 L HA 0.191 4.530 4.340 -0.001 0.000 0.272 18 L C 0.698 177.557 176.870 -0.019 0.000 1.174 18 L CA -0.016 54.827 54.840 0.004 0.000 0.869 18 L CB 0.952 43.011 42.059 -0.000 0.000 1.130 18 L HN 0.806 nan 8.230 nan 0.000 0.474 19 A N 5.924 128.734 122.820 -0.017 0.000 2.566 19 A HA 0.242 4.562 4.320 -0.001 0.000 0.245 19 A C -0.212 177.322 177.584 -0.084 0.000 1.056 19 A CA 0.100 52.103 52.037 -0.057 0.000 0.757 19 A CB -0.209 18.777 19.000 -0.024 0.000 0.979 19 A HN 0.631 nan 8.150 nan 0.000 0.508 20 L N 2.265 123.395 121.223 -0.154 0.000 2.325 20 L HA 0.508 4.848 4.340 -0.001 0.000 0.278 20 L C 0.599 177.405 176.870 -0.106 0.000 1.023 20 L CA -0.925 53.842 54.840 -0.122 0.000 0.811 20 L CB 1.569 43.559 42.059 -0.115 0.000 1.249 20 L HN 0.848 nan 8.230 nan 0.000 0.431 21 R N 1.969 122.449 120.500 -0.034 0.000 2.490 21 R HA 0.521 4.860 4.340 -0.001 0.000 0.278 21 R C -0.465 175.912 176.300 0.127 0.000 1.069 21 R CA -0.142 55.971 56.100 0.022 0.000 1.080 21 R CB 1.251 31.555 30.300 0.006 0.000 1.030 21 R HN 0.672 nan 8.270 nan 0.000 0.491 22 A N 4.166 127.068 122.820 0.137 0.000 2.363 22 A HA 0.508 4.828 4.320 -0.001 0.000 0.270 22 A C -0.878 176.835 177.584 0.216 0.000 1.121 22 A CA -0.299 51.846 52.037 0.180 0.000 0.800 22 A CB -0.160 18.910 19.000 0.116 0.000 1.052 22 A HN 0.631 nan 8.150 nan 0.000 0.493 23 F N 0.141 120.095 119.950 0.007 0.000 2.613 23 F HA 0.812 5.338 4.527 -0.001 0.000 0.314 23 F C -0.213 175.606 175.800 0.032 0.000 1.075 23 F CA -1.036 56.947 58.000 -0.028 0.000 0.945 23 F CB 1.048 40.048 39.000 0.001 0.000 1.310 23 F HN 0.343 nan 8.300 nan 0.000 0.467 24 S N 1.899 117.602 115.700 0.005 0.000 2.681 24 S HA 0.741 5.210 4.470 -0.001 0.000 0.299 24 S C -1.186 173.642 174.600 0.380 0.000 1.113 24 S CA -0.774 57.499 58.200 0.123 0.000 1.013 24 S CB 1.845 65.249 63.200 0.340 0.000 1.076 24 S HN 0.844 nan 8.310 nan 0.000 0.534 25 L N 2.090 123.533 121.223 0.367 0.000 2.341 25 L HA 0.716 5.055 4.340 -0.001 0.000 0.278 25 L C -1.607 175.504 176.870 0.402 0.000 1.005 25 L CA -0.560 54.527 54.840 0.411 0.000 0.818 25 L CB 1.281 43.513 42.059 0.289 0.000 1.259 25 L HN 0.432 nan 8.230 nan 0.000 0.418 26 V N 5.757 125.918 119.914 0.412 0.000 2.444 26 V HA 0.622 4.742 4.120 -0.001 0.000 0.294 26 V C -0.612 175.642 176.094 0.266 0.000 1.022 26 V CA -0.538 61.985 62.300 0.371 0.000 0.850 26 V CB 1.774 33.805 31.823 0.348 0.000 0.992 26 V HN 0.537 nan 8.190 nan 0.000 0.426 27 V N 4.163 124.137 119.914 0.101 0.000 2.971 27 V HA 0.950 5.070 4.120 -0.001 0.000 0.309 27 V C -0.719 175.382 176.094 0.011 0.000 1.130 27 V CA -0.197 62.026 62.300 -0.128 0.000 0.964 27 V CB 2.411 33.685 31.823 -0.915 0.000 1.029 27 V HN 1.090 nan 8.190 nan 0.000 0.427 28 A N 5.258 128.113 122.820 0.058 0.000 2.330 28 A HA 0.886 5.206 4.320 -0.001 0.000 0.313 28 A C -0.784 176.910 177.584 0.183 0.000 1.124 28 A CA -0.139 51.978 52.037 0.133 0.000 0.774 28 A CB 1.460 20.624 19.000 0.274 0.000 1.198 28 A HN 1.891 nan 8.150 nan 0.000 0.465 29 V N 0.443 120.363 119.914 0.011 0.000 2.914 29 V HA 0.811 4.931 4.120 -0.001 0.000 0.314 29 V C -0.474 175.448 176.094 -0.287 0.000 1.084 29 V CA -0.894 61.413 62.300 0.011 0.000 0.963 29 V CB 1.791 33.649 31.823 0.057 0.000 1.025 29 V HN 0.917 nan 8.190 nan 0.000 0.432 30 D N 1.123 121.369 120.400 -0.256 0.000 2.451 30 D HA 0.247 4.886 4.640 -0.001 0.000 0.259 30 D C 0.735 176.951 176.300 -0.140 0.000 1.201 30 D CA -0.260 53.537 54.000 -0.338 0.000 1.028 30 D CB 0.741 41.389 40.800 -0.253 0.000 1.095 30 D HN 0.675 nan 8.370 nan 0.000 0.539 31 E N -1.003 119.130 120.200 -0.112 0.000 2.204 31 E HA -0.101 4.249 4.350 -0.001 0.000 0.194 31 E C 1.853 178.471 176.600 0.030 0.000 0.989 31 E CA 0.495 56.872 56.400 -0.039 0.000 0.824 31 E CB 0.025 29.707 29.700 -0.030 0.000 0.756 31 E HN 0.326 nan 8.360 nan 0.000 0.477 32 R N -0.389 120.154 120.500 0.073 0.000 2.316 32 R HA -0.033 4.307 4.340 -0.001 0.000 0.202 32 R C 1.088 177.553 176.300 0.276 0.000 1.029 32 R CA 0.693 56.896 56.100 0.170 0.000 1.018 32 R CB 0.225 30.672 30.300 0.246 0.000 0.888 32 R HN 0.322 nan 8.270 nan 0.000 0.471 33 G N -0.256 108.660 108.800 0.193 0.000 2.157 33 G HA2 -0.220 3.740 3.960 -0.001 0.000 0.239 33 G HA3 -0.220 3.740 3.960 -0.001 0.000 0.239 33 G C 0.333 175.363 174.900 0.217 0.000 0.982 33 G CA -0.141 45.104 45.100 0.241 0.000 0.650 33 G HN 0.529 nan 8.290 nan 0.000 0.527 34 G N -0.024 108.770 108.800 -0.009 0.000 2.403 34 G HA2 0.605 4.565 3.960 -0.001 0.000 0.259 34 G HA3 0.605 4.565 3.960 -0.001 0.000 0.259 34 G C 1.112 176.022 174.900 0.016 0.000 1.244 34 G CA 0.032 44.896 45.100 -0.394 0.000 0.849 34 G HN 1.178 nan 8.290 nan 0.000 0.532 35 I N 0.175 120.728 120.570 -0.028 0.000 3.790 35 I HA 0.581 4.751 4.170 -0.001 0.000 0.305 35 I C 0.842 176.897 176.117 -0.103 0.000 1.253 35 I CA 0.102 61.465 61.300 0.105 0.000 1.355 35 I CB 0.659 38.747 38.000 0.147 0.000 1.137 35 I HN 0.623 nan 8.210 nan 0.000 0.435 36 G N 0.425 109.121 108.800 -0.174 0.000 2.506 36 G HA2 0.233 4.192 3.960 -0.001 0.000 0.292 36 G HA3 0.233 4.192 3.960 -0.001 0.000 0.292 36 G C -1.376 173.414 174.900 -0.183 0.000 1.425 36 G CA -0.279 44.678 45.100 -0.239 0.000 0.788 36 G HN -0.009 nan 8.290 nan 0.000 0.490 37 D N -0.171 120.130 120.400 -0.165 0.000 2.325 37 D HA 0.261 4.901 4.640 -0.001 0.000 0.225 37 D C 1.831 178.090 176.300 -0.068 0.000 1.096 37 D CA 1.135 55.071 54.000 -0.106 0.000 0.844 37 D CB 0.628 41.367 40.800 -0.101 0.000 0.925 37 D HN 1.317 nan 8.370 nan 0.000 0.513 38 G N 1.314 110.073 108.800 -0.067 0.000 2.284 38 G HA2 -0.334 3.625 3.960 -0.001 0.000 0.247 38 G HA3 -0.334 3.625 3.960 -0.001 0.000 0.247 38 G C 1.442 176.311 174.900 -0.052 0.000 1.012 38 G CA -0.010 45.066 45.100 -0.041 0.000 0.618 38 G HN 0.284 nan 8.290 nan 0.000 0.521 39 R N 0.163 120.620 120.500 -0.072 0.000 2.276 39 R HA 0.365 4.705 4.340 -0.001 0.000 0.195 39 R C 1.125 177.363 176.300 -0.104 0.000 0.908 39 R CA 1.521 57.577 56.100 -0.073 0.000 1.083 39 R CB 0.448 30.711 30.300 -0.062 0.000 1.182 39 R HN 0.960 nan 8.270 nan 0.000 0.608 40 S N -0.214 115.401 115.700 -0.143 0.000 2.643 40 S HA 0.488 4.958 4.470 -0.001 0.000 0.270 40 S C -0.578 173.844 174.600 -0.296 0.000 1.166 40 S CA -0.966 57.118 58.200 -0.194 0.000 0.815 40 S CB 1.493 64.591 63.200 -0.170 0.000 1.139 40 S HN -0.049 nan 8.310 nan 0.000 0.472 41 I N 1.890 122.224 120.570 -0.393 0.000 2.371 41 I HA 0.306 4.475 4.170 -0.001 0.000 0.290 41 I C -1.711 174.002 176.117 -0.673 0.000 1.028 41 I CA -2.112 58.774 61.300 -0.690 0.000 1.345 41 I CB 0.385 37.925 38.000 -0.768 0.000 1.407 41 I HN 0.546 nan 8.210 nan 0.000 0.501 42 P HA -0.036 nan 4.420 nan 0.000 0.229 42 P C -0.611 176.593 177.300 -0.160 0.000 1.160 42 P CA 0.824 63.716 63.100 -0.346 0.000 0.777 42 P CB 0.123 31.726 31.700 -0.162 0.000 0.814 43 W N -1.019 120.235 121.300 -0.077 0.000 2.820 43 W HA 0.667 5.327 4.660 0.000 0.000 0.350 43 W C -0.890 175.578 176.519 -0.085 0.000 1.116 43 W CA -1.296 56.004 57.345 -0.077 0.000 1.146 43 W CB -0.049 29.361 29.460 -0.083 0.000 1.433 43 W HN -0.381 nan 8.180 nan 0.000 0.561 44 N N 1.051 119.876 118.700 0.208 0.000 2.626 44 N HA 0.454 5.193 4.740 -0.001 0.000 0.249 44 N C -2.114 173.442 175.510 0.076 0.000 1.021 44 N CA -0.589 52.517 53.050 0.093 0.000 0.886 44 N CB 1.299 39.798 38.487 0.020 0.000 1.149 44 N HN 0.408 nan 8.380 nan 0.000 0.517 45 V N 6.109 126.069 119.914 0.076 0.000 2.380 45 V HA 0.339 4.459 4.120 -0.001 0.000 0.268 45 V C -1.634 174.408 176.094 -0.087 0.000 1.008 45 V CA -1.287 60.974 62.300 -0.065 0.000 0.823 45 V CB 1.510 33.219 31.823 -0.191 0.000 1.053 45 V HN 0.518 nan 8.190 nan 0.000 0.446 46 P HA -0.135 nan 4.420 nan 0.000 0.218 46 P C 1.249 178.536 177.300 -0.023 0.000 1.146 46 P CA 1.117 64.194 63.100 -0.038 0.000 0.813 46 P CB 0.489 32.174 31.700 -0.025 0.000 0.778 47 E N -0.873 119.273 120.200 -0.089 0.000 2.150 47 E HA -0.170 4.179 4.350 -0.001 0.000 0.193 47 E C 1.696 178.375 176.600 0.133 0.000 0.985 47 E CA 1.119 57.510 56.400 -0.015 0.000 0.814 47 E CB -0.737 28.866 29.700 -0.162 0.000 0.752 47 E HN 0.332 nan 8.360 nan 0.000 0.466 48 D N -0.615 119.797 120.400 0.019 0.000 2.123 48 D HA -0.124 4.515 4.640 -0.001 0.000 0.200 48 D C 1.683 178.147 176.300 0.273 0.000 0.976 48 D CA 0.905 55.044 54.000 0.232 0.000 0.831 48 D CB 0.127 40.987 40.800 0.099 0.000 0.974 48 D HN -0.051 nan 8.370 nan 0.000 0.469 49 M N 0.546 120.226 119.600 0.133 0.000 2.082 49 M HA -0.152 4.328 4.480 -0.001 0.000 0.258 49 M C 2.236 178.630 176.300 0.157 0.000 1.069 49 M CA 1.475 56.843 55.300 0.113 0.000 1.102 49 M CB -1.135 31.471 32.600 0.009 0.000 1.336 49 M HN 0.100 nan 8.290 nan 0.000 0.404 50 K N -0.185 120.288 120.400 0.121 0.000 2.026 50 K HA -0.197 4.123 4.320 -0.001 0.000 0.208 50 K C 1.965 178.608 176.600 0.073 0.000 1.048 50 K CA 1.452 57.787 56.287 0.081 0.000 0.929 50 K CB -0.504 32.043 32.500 0.079 0.000 0.713 50 K HN 0.129 nan 8.250 nan 0.000 0.439 51 F N 0.690 120.632 119.950 -0.015 0.000 2.126 51 F HA -0.200 4.327 4.527 -0.000 0.000 0.299 51 F C 1.829 177.559 175.800 -0.117 0.000 1.096 51 F CA 1.683 59.593 58.000 -0.149 0.000 1.255 51 F CB -0.512 38.339 39.000 -0.249 0.000 0.997 51 F HN 0.164 nan 8.300 nan 0.000 0.479 52 F N 1.100 120.995 119.950 -0.092 0.000 2.102 52 F HA -0.123 4.403 4.527 -0.001 0.000 0.298 52 F C 2.687 178.307 175.800 -0.299 0.000 1.105 52 F CA 2.083 59.958 58.000 -0.207 0.000 1.239 52 F CB -0.712 38.270 39.000 -0.029 0.000 0.991 52 F HN -0.095 nan 8.300 nan 0.000 0.474 53 R N 0.327 120.683 120.500 -0.240 0.000 2.083 53 R HA -0.177 4.163 4.340 -0.001 0.000 0.237 53 R C 1.927 177.972 176.300 -0.425 0.000 1.137 53 R CA 2.160 58.064 56.100 -0.327 0.000 0.951 53 R CB -0.562 29.670 30.300 -0.114 0.000 0.851 53 R HN 0.278 nan 8.270 nan 0.000 0.434 54 D N -0.215 119.955 120.400 -0.384 0.000 2.144 54 D HA -0.133 4.507 4.640 -0.001 0.000 0.200 54 D C 1.790 177.776 176.300 -0.522 0.000 0.978 54 D CA 0.897 54.672 54.000 -0.375 0.000 0.833 54 D CB -0.180 40.446 40.800 -0.289 0.000 0.961 54 D HN 0.120 nan 8.370 nan 0.000 0.470 55 V N 1.149 120.587 119.914 -0.793 0.000 2.453 55 V HA -0.163 3.957 4.120 -0.001 0.000 0.247 55 V C 2.316 177.803 176.094 -1.011 0.000 1.048 55 V CA 2.427 64.154 62.300 -0.956 0.000 1.049 55 V CB -0.390 30.610 31.823 -1.372 0.000 0.672 55 V HN 0.342 nan 8.190 nan 0.000 0.457 56 T N -4.687 109.233 114.554 -1.056 0.000 3.054 56 T HA -0.034 4.316 4.350 -0.001 0.000 0.259 56 T C 1.636 176.061 174.700 -0.458 0.000 1.092 56 T CA 1.244 62.716 62.100 -1.046 0.000 1.121 56 T CB -0.046 68.206 68.868 -1.026 0.000 0.912 56 T HN 0.448 nan 8.240 nan 0.000 0.489 57 T N 1.273 115.592 114.554 -0.392 0.000 2.901 57 T HA 0.186 4.536 4.350 -0.001 0.000 0.252 57 T C 0.761 175.378 174.700 -0.139 0.000 1.035 57 T CA 0.310 62.284 62.100 -0.211 0.000 1.142 57 T CB -0.033 68.719 68.868 -0.193 0.000 0.869 57 T HN 0.367 nan 8.240 nan 0.000 0.442 58 K N 1.357 121.654 120.400 -0.172 0.000 2.436 58 K HA 0.328 4.648 4.320 -0.001 0.000 0.275 58 K C -0.477 176.087 176.600 -0.059 0.000 0.999 58 K CA 0.055 56.274 56.287 -0.113 0.000 0.980 58 K CB 0.399 32.817 32.500 -0.137 0.000 0.919 58 K HN 0.171 nan 8.250 nan 0.000 0.484 59 L N 1.887 123.087 121.223 -0.038 0.000 2.347 59 L HA 0.397 4.737 4.340 -0.001 0.000 0.268 59 L C 1.550 178.407 176.870 -0.022 0.000 1.019 59 L CA -0.853 53.977 54.840 -0.017 0.000 0.806 59 L CB 0.892 42.944 42.059 -0.011 0.000 1.339 59 L HN 0.525 nan 8.230 nan 0.000 0.463 60 R N 0.137 120.626 120.500 -0.018 0.000 2.189 60 R HA 0.025 4.365 4.340 -0.001 0.000 0.218 60 R C 0.927 177.213 176.300 -0.023 0.000 1.074 60 R CA 0.589 56.674 56.100 -0.025 0.000 0.991 60 R CB -0.223 30.057 30.300 -0.032 0.000 0.883 60 R HN 0.819 nan 8.270 nan 0.000 0.457 61 G N 1.105 109.894 108.800 -0.018 0.000 2.583 61 G HA2 -0.067 3.892 3.960 -0.001 0.000 0.275 61 G HA3 -0.067 3.892 3.960 -0.001 0.000 0.275 61 G C 0.531 175.423 174.900 -0.014 0.000 1.342 61 G CA -0.434 44.658 45.100 -0.014 0.000 1.030 61 G HN 0.009 nan 8.290 nan 0.000 0.520 62 K N -0.130 120.264 120.400 -0.010 0.000 1.965 62 K HA -0.022 4.298 4.320 -0.001 0.000 0.214 62 K C 0.388 176.981 176.600 -0.011 0.000 1.042 62 K CA 0.863 57.145 56.287 -0.008 0.000 0.950 62 K CB -0.339 32.158 32.500 -0.005 0.000 0.733 62 K HN 0.325 nan 8.250 nan 0.000 0.441 63 N N 0.902 119.596 118.700 -0.010 0.000 2.765 63 N HA 0.159 4.898 4.740 -0.001 0.000 0.277 63 N C -1.566 173.938 175.510 -0.011 0.000 1.750 63 N CA -0.125 52.917 53.050 -0.012 0.000 0.827 63 N CB 1.069 39.551 38.487 -0.009 0.000 1.200 63 N HN -0.137 nan 8.380 nan 0.000 0.494 64 V N 1.727 121.634 119.914 -0.013 0.000 2.370 64 V HA 0.154 4.274 4.120 -0.001 0.000 0.257 64 V C 0.973 177.059 176.094 -0.012 0.000 1.064 64 V CA -0.565 61.729 62.300 -0.010 0.000 0.975 64 V CB 0.075 31.892 31.823 -0.009 0.000 1.067 64 V HN 0.156 nan 8.190 nan 0.000 0.485 65 K N 5.812 126.206 120.400 -0.009 0.000 2.484 65 K HA 0.120 4.440 4.320 -0.001 0.000 0.280 65 K C -2.233 174.363 176.600 -0.007 0.000 1.013 65 K CA -1.076 55.206 56.287 -0.009 0.000 1.029 65 K CB 0.461 32.958 32.500 -0.005 0.000 0.902 65 K HN 0.418 nan 8.250 nan 0.000 0.481 66 P HA -0.001 nan 4.420 nan 0.000 0.271 66 P C -0.968 176.334 177.300 0.003 0.000 1.220 66 P CA -0.057 63.041 63.100 -0.003 0.000 0.768 66 P CB 0.937 32.632 31.700 -0.008 0.000 0.848 67 S N 2.483 118.187 115.700 0.007 0.000 2.627 67 S HA 0.552 5.022 4.470 -0.001 0.000 0.283 67 S C -2.345 172.262 174.600 0.012 0.000 1.127 67 S CA -1.737 56.468 58.200 0.009 0.000 0.863 67 S CB 1.521 64.724 63.200 0.006 0.000 1.121 67 S HN 0.045 nan 8.310 nan 0.000 0.479 68 P HA -0.035 nan 4.420 nan 0.000 0.220 68 P C 1.322 178.623 177.300 0.001 0.000 1.144 68 P CA 1.689 64.794 63.100 0.007 0.000 0.800 68 P CB -0.155 31.545 31.700 0.000 0.000 0.772 69 A N -1.270 121.551 122.820 0.001 0.000 1.897 69 A HA -0.050 4.269 4.320 -0.001 0.000 0.215 69 A C 1.254 178.841 177.584 0.006 0.000 1.181 69 A CA 1.130 53.167 52.037 -0.001 0.000 0.620 69 A CB -0.410 18.590 19.000 0.000 0.000 0.821 69 A HN 0.118 nan 8.150 nan 0.000 0.443 70 K N -0.289 120.118 120.400 0.011 0.000 2.652 70 K HA 0.415 4.734 4.320 -0.001 0.000 0.249 70 K C -0.956 175.655 176.600 0.018 0.000 0.986 70 K CA -0.541 55.755 56.287 0.015 0.000 0.867 70 K CB 0.969 33.476 32.500 0.011 0.000 1.201 70 K HN 0.639 nan 8.250 nan 0.000 0.450 71 R N 1.111 121.628 120.500 0.027 0.000 2.762 71 R HA 0.460 4.800 4.340 -0.001 0.000 0.271 71 R C -1.090 175.237 176.300 0.045 0.000 1.038 71 R CA -1.121 54.998 56.100 0.031 0.000 0.906 71 R CB 0.598 30.917 30.300 0.032 0.000 1.259 71 R HN 0.249 nan 8.270 nan 0.000 0.457 72 N N -0.607 118.126 118.700 0.055 0.000 2.476 72 N HA 0.604 5.344 4.740 -0.001 0.000 0.276 72 N C -1.048 174.515 175.510 0.089 0.000 1.204 72 N CA -0.311 52.791 53.050 0.086 0.000 0.974 72 N CB 1.799 40.388 38.487 0.169 0.000 1.204 72 N HN 0.685 nan 8.380 nan 0.000 0.543 73 A N -0.046 122.831 122.820 0.095 0.000 2.374 73 A HA 0.645 4.965 4.320 -0.001 0.000 0.317 73 A C -0.589 177.073 177.584 0.131 0.000 1.094 73 A CA -0.692 51.395 52.037 0.084 0.000 0.765 73 A CB 0.925 19.945 19.000 0.033 0.000 1.268 73 A HN 0.403 nan 8.150 nan 0.000 0.438 74 V N 0.179 120.164 119.914 0.118 0.000 2.487 74 V HA 0.776 4.896 4.120 -0.001 0.000 0.298 74 V C -0.525 175.628 176.094 0.098 0.000 1.028 74 V CA -0.733 61.658 62.300 0.153 0.000 0.860 74 V CB 0.973 32.895 31.823 0.166 0.000 0.991 74 V HN 0.607 nan 8.190 nan 0.000 0.427 75 V N 6.962 126.923 119.914 0.079 0.000 2.398 75 V HA 0.689 4.809 4.120 -0.001 0.000 0.286 75 V C 0.176 176.280 176.094 0.017 0.000 1.026 75 V CA -0.303 62.001 62.300 0.006 0.000 0.868 75 V CB 1.350 33.132 31.823 -0.069 0.000 0.982 75 V HN 1.103 nan 8.190 nan 0.000 0.443 76 M N 3.264 122.866 119.600 0.003 0.000 2.550 76 M HA 0.848 5.328 4.480 -0.001 0.000 0.292 76 M C 0.048 176.328 176.300 -0.033 0.000 1.221 76 M CA -0.555 54.742 55.300 -0.004 0.000 0.873 76 M CB 2.149 34.800 32.600 0.084 0.000 1.727 76 M HN 0.592 nan 8.290 nan 0.000 0.459 77 G N 1.001 109.766 108.800 -0.058 0.000 2.569 77 G HA2 0.229 4.188 3.960 -0.001 0.000 0.249 77 G HA3 0.229 4.188 3.960 -0.001 0.000 0.249 77 G C 0.321 175.226 174.900 0.009 0.000 1.216 77 G CA -0.555 44.517 45.100 -0.046 0.000 0.845 77 G HN 0.974 nan 8.290 nan 0.000 0.568 78 R N 0.384 120.884 120.500 0.001 0.000 2.096 78 R HA -0.077 4.263 4.340 -0.001 0.000 0.235 78 R C 2.265 178.630 176.300 0.108 0.000 1.127 78 R CA 1.469 57.594 56.100 0.041 0.000 0.968 78 R CB -0.195 30.101 30.300 -0.006 0.000 0.861 78 R HN 0.611 nan 8.270 nan 0.000 0.440 79 K N -0.779 119.649 120.400 0.048 0.000 2.057 79 K HA -0.071 4.248 4.320 -0.001 0.000 0.207 79 K C 2.023 178.641 176.600 0.031 0.000 1.049 79 K CA 1.870 58.177 56.287 0.032 0.000 0.931 79 K CB -0.130 32.369 32.500 -0.003 0.000 0.714 79 K HN 0.172 nan 8.250 nan 0.000 0.440 80 T N 1.004 115.572 114.554 0.024 0.000 2.746 80 T HA -0.193 4.157 4.350 -0.001 0.000 0.267 80 T C 1.241 175.977 174.700 0.060 0.000 1.039 80 T CA 1.071 63.172 62.100 0.002 0.000 1.142 80 T CB -0.283 68.568 68.868 -0.028 0.000 0.866 80 T HN 0.458 nan 8.240 nan 0.000 0.444 81 W N 2.442 123.713 121.300 -0.048 0.000 2.338 81 W HA -0.179 4.481 4.660 -0.001 0.000 0.304 81 W C 1.257 177.764 176.519 -0.020 0.000 1.212 81 W CA 1.507 58.838 57.345 -0.023 0.000 1.264 81 W CB -0.359 29.091 29.460 -0.016 0.000 1.142 81 W HN 0.251 nan 8.180 nan 0.000 0.512 82 D N -0.035 120.445 120.400 0.133 0.000 2.178 82 D HA -0.174 4.466 4.640 -0.001 0.000 0.202 82 D C 2.487 178.745 176.300 -0.070 0.000 0.974 82 D CA 2.105 56.121 54.000 0.026 0.000 0.841 82 D CB -0.535 40.310 40.800 0.076 0.000 0.953 82 D HN 0.224 nan 8.370 nan 0.000 0.478 83 S N -0.132 115.524 115.700 -0.072 0.000 2.428 83 S HA -0.056 4.413 4.470 -0.001 0.000 0.230 83 S C 1.037 175.558 174.600 -0.132 0.000 1.014 83 S CA -0.002 58.138 58.200 -0.100 0.000 0.957 83 S CB -0.342 62.794 63.200 -0.107 0.000 0.784 83 S HN 0.143 nan 8.310 nan 0.000 0.499 84 I N 3.466 123.929 120.570 -0.178 0.000 2.436 84 I HA 0.269 4.439 4.170 -0.001 0.000 0.289 84 I C -2.481 173.527 176.117 -0.182 0.000 1.083 84 I CA -2.428 58.759 61.300 -0.189 0.000 1.372 84 I CB 0.607 38.457 38.000 -0.249 0.000 1.408 84 I HN 0.044 nan 8.210 nan 0.000 0.516 85 P HA 0.028 nan 4.420 nan 0.000 0.264 85 P C -1.957 175.284 177.300 -0.098 0.000 1.193 85 P CA -0.878 62.202 63.100 -0.034 0.000 0.763 85 P CB 0.079 31.832 31.700 0.088 0.000 0.810 86 P HA -0.248 nan 4.420 nan 0.000 0.219 86 P C 1.006 178.195 177.300 -0.185 0.000 1.153 86 P CA 2.048 65.049 63.100 -0.164 0.000 0.865 86 P CB -0.275 31.365 31.700 -0.101 0.000 0.788 87 K N -2.061 118.185 120.400 -0.257 0.000 2.551 87 K HA 0.022 4.342 4.320 -0.001 0.000 0.192 87 K C 0.356 176.575 176.600 -0.635 0.000 1.027 87 K CA 0.844 56.882 56.287 -0.415 0.000 1.059 87 K CB -0.555 31.651 32.500 -0.491 0.000 0.831 87 K HN 0.105 nan 8.250 nan 0.000 0.508 88 F N 1.279 121.157 119.950 -0.119 0.000 2.729 88 F HA 0.330 4.857 4.527 -0.000 0.000 0.315 88 F C -0.141 175.564 175.800 -0.159 0.000 1.102 88 F CA -0.831 57.101 58.000 -0.113 0.000 1.204 88 F CB 0.622 39.558 39.000 -0.108 0.000 1.052 88 F HN -0.182 nan 8.300 nan 0.000 0.551 89 R N 2.077 122.511 120.500 -0.109 0.000 2.368 89 R HA 0.410 4.750 4.340 -0.001 0.000 0.302 89 R C -2.480 173.825 176.300 0.008 0.000 1.002 89 R CA -1.591 54.375 56.100 -0.223 0.000 0.929 89 R CB 0.453 30.370 30.300 -0.639 0.000 1.073 89 R HN -0.100 nan 8.270 nan 0.000 0.464 90 P HA 0.169 nan 4.420 nan 0.000 0.280 90 P C -0.590 176.783 177.300 0.122 0.000 1.272 90 P CA -0.651 62.560 63.100 0.186 0.000 0.819 90 P CB 0.786 32.657 31.700 0.285 0.000 1.122 91 L N 1.785 123.091 121.223 0.138 0.000 2.500 91 L HA 0.190 4.529 4.340 -0.001 0.000 0.272 91 L C -1.940 174.980 176.870 0.083 0.000 1.149 91 L CA -1.697 53.208 54.840 0.108 0.000 0.897 91 L CB -0.582 41.554 42.059 0.128 0.000 1.178 91 L HN 0.197 nan 8.230 nan 0.000 0.473 92 P HA 0.030 nan 4.420 nan 0.000 0.267 92 P C 0.845 178.155 177.300 0.018 0.000 1.200 92 P CA 0.396 63.523 63.100 0.045 0.000 0.772 92 P CB 0.755 32.480 31.700 0.042 0.000 0.855 93 G N 1.343 110.155 108.800 0.019 0.000 2.166 93 G HA2 -0.288 3.672 3.960 -0.001 0.000 0.260 93 G HA3 -0.288 3.672 3.960 -0.001 0.000 0.260 93 G C 0.048 174.952 174.900 0.007 0.000 0.986 93 G CA 0.002 45.105 45.100 0.005 0.000 0.683 93 G HN 0.609 nan 8.290 nan 0.000 0.527 94 R N -1.063 119.453 120.500 0.027 0.000 2.604 94 R HA 0.556 4.896 4.340 -0.001 0.000 0.281 94 R C -0.054 176.287 176.300 0.067 0.000 1.020 94 R CA -0.991 55.134 56.100 0.041 0.000 0.899 94 R CB 1.637 31.953 30.300 0.025 0.000 1.205 94 R HN 0.155 nan 8.270 nan 0.000 0.450 95 L N 3.110 124.377 121.223 0.073 0.000 2.477 95 L HA 0.149 4.488 4.340 -0.001 0.000 0.272 95 L C -0.549 176.369 176.870 0.080 0.000 1.157 95 L CA 0.350 55.238 54.840 0.079 0.000 0.889 95 L CB 0.280 42.393 42.059 0.090 0.000 1.158 95 L HN 0.635 nan 8.230 nan 0.000 0.473 96 N N 4.834 123.588 118.700 0.090 0.000 2.437 96 N HA 0.186 4.926 4.740 -0.001 0.000 0.243 96 N C -0.979 174.533 175.510 0.003 0.000 1.041 96 N CA -0.461 52.655 53.050 0.111 0.000 0.940 96 N CB 1.714 40.351 38.487 0.249 0.000 1.133 96 N HN 0.308 nan 8.380 nan 0.000 0.506 97 V N 3.464 123.369 119.914 -0.014 0.000 2.333 97 V HA 0.257 4.377 4.120 -0.001 0.000 0.274 97 V C 0.305 176.334 176.094 -0.108 0.000 1.028 97 V CA -0.666 61.581 62.300 -0.088 0.000 0.851 97 V CB 1.363 33.127 31.823 -0.099 0.000 1.000 97 V HN 0.268 nan 8.190 nan 0.000 0.456 98 V N 6.526 126.321 119.914 -0.197 0.000 2.435 98 V HA 0.467 4.587 4.120 -0.001 0.000 0.290 98 V C -0.069 175.921 176.094 -0.173 0.000 1.030 98 V CA -0.637 61.531 62.300 -0.221 0.000 0.881 98 V CB 1.808 33.349 31.823 -0.469 0.000 0.983 98 V HN 0.646 nan 8.190 nan 0.000 0.445 99 L N 4.085 125.233 121.223 -0.124 0.000 2.257 99 L HA 0.729 5.069 4.340 -0.001 0.000 0.290 99 L C 0.129 176.945 176.870 -0.090 0.000 1.044 99 L CA 0.245 55.024 54.840 -0.102 0.000 0.810 99 L CB 1.286 43.294 42.059 -0.085 0.000 1.193 99 L HN 0.726 nan 8.230 nan 0.000 0.425 100 S N 0.327 115.976 115.700 -0.085 0.000 2.542 100 S HA 0.292 4.762 4.470 -0.001 0.000 0.276 100 S C 0.401 174.970 174.600 -0.052 0.000 1.148 100 S CA -0.143 58.017 58.200 -0.068 0.000 0.886 100 S CB 1.774 64.925 63.200 -0.082 0.000 1.109 100 S HN 0.672 nan 8.310 nan 0.000 0.458 101 S N 1.978 117.655 115.700 -0.039 0.000 2.486 101 S HA 0.023 4.493 4.470 -0.001 0.000 0.220 101 S C 1.570 176.158 174.600 -0.021 0.000 1.011 101 S CA 1.052 59.236 58.200 -0.027 0.000 0.921 101 S CB -0.598 62.588 63.200 -0.022 0.000 0.785 101 S HN 0.854 nan 8.310 nan 0.000 0.517 102 T N 1.304 115.839 114.554 -0.032 0.000 2.755 102 T HA 0.289 4.638 4.350 -0.001 0.000 0.251 102 T C 0.661 175.339 174.700 -0.036 0.000 1.044 102 T CA 0.047 62.122 62.100 -0.043 0.000 1.154 102 T CB -0.520 68.308 68.868 -0.068 0.000 0.866 102 T HN 0.149 nan 8.240 nan 0.000 0.416 103 L N 3.658 124.850 121.223 -0.051 0.000 2.349 103 L HA 0.423 4.763 4.340 -0.001 0.000 0.275 103 L C 0.929 177.836 176.870 0.062 0.000 1.115 103 L CA 0.047 54.881 54.840 -0.010 0.000 0.820 103 L CB 0.458 42.479 42.059 -0.063 0.000 1.135 103 L HN 0.575 nan 8.230 nan 0.000 0.445 104 T N -1.524 113.151 114.554 0.202 0.000 2.923 104 T HA 0.343 4.693 4.350 -0.001 0.000 0.281 104 T C 1.340 176.024 174.700 -0.026 0.000 0.995 104 T CA -0.372 61.755 62.100 0.044 0.000 0.985 104 T CB 1.053 69.917 68.868 -0.007 0.000 1.114 104 T HN 0.568 nan 8.240 nan 0.000 0.548 105 T N 1.002 115.513 114.554 -0.072 0.000 2.635 105 T HA -0.172 4.178 4.350 -0.001 0.000 0.267 105 T C 2.053 176.711 174.700 -0.070 0.000 1.040 105 T CA 1.419 63.465 62.100 -0.089 0.000 1.156 105 T CB -0.428 68.397 68.868 -0.073 0.000 0.863 105 T HN 0.540 nan 8.240 nan 0.000 0.430 106 Q N 0.142 119.888 119.800 -0.090 0.000 2.291 106 Q HA -0.113 4.226 4.340 -0.001 0.000 0.206 106 Q C 2.158 178.108 176.000 -0.084 0.000 0.976 106 Q CA 1.120 56.864 55.803 -0.099 0.000 0.875 106 Q CB -0.348 28.299 28.738 -0.153 0.000 0.927 106 Q HN 0.667 nan 8.270 nan 0.000 0.450 107 H N -0.038 119.019 119.070 -0.023 0.000 2.403 107 H HA 0.046 4.602 4.556 -0.001 0.000 0.298 107 H C 2.183 177.511 175.328 0.001 0.000 1.059 107 H CA 0.685 56.727 56.048 -0.011 0.000 1.363 107 H CB 0.089 29.835 29.762 -0.026 0.000 1.410 107 H HN 0.173 nan 8.280 nan 0.000 0.528 108 L N 0.799 122.065 121.223 0.071 0.000 2.007 108 L HA -0.042 4.297 4.340 -0.001 0.000 0.205 108 L C 1.058 178.021 176.870 0.155 0.000 1.073 108 L CA 0.381 55.230 54.840 0.014 0.000 0.744 108 L CB -0.419 41.464 42.059 -0.292 0.000 0.898 108 L HN 0.101 nan 8.230 nan 0.000 0.435 109 L N -0.829 120.453 121.223 0.099 0.000 2.367 109 L HA 0.340 4.680 4.340 -0.001 0.000 0.275 109 L C -1.180 175.766 176.870 0.127 0.000 1.129 109 L CA -0.559 54.364 54.840 0.138 0.000 0.839 109 L CB 0.618 42.728 42.059 0.086 0.000 1.133 109 L HN 0.177 nan 8.230 nan 0.000 0.453 110 D N 2.916 123.399 120.400 0.139 0.000 8.644 110 D HA -0.009 4.630 4.640 -0.001 0.000 0.260 110 D C 0.596 176.977 176.300 0.136 0.000 2.405 110 D CA 1.286 55.356 54.000 0.117 0.000 2.292 110 D CB -0.719 40.143 40.800 0.103 0.000 0.893 110 D HN 1.232 nan 8.370 nan 0.000 0.594 111 G N 1.053 109.918 108.800 0.109 0.000 2.254 111 G HA2 -0.263 3.697 3.960 -0.001 0.000 0.225 111 G HA3 -0.263 3.697 3.960 -0.001 0.000 0.225 111 G C 0.489 175.444 174.900 0.092 0.000 1.003 111 G CA 0.179 45.345 45.100 0.109 0.000 0.622 111 G HN 0.538 nan 8.290 nan 0.000 0.507 112 L N 1.416 122.705 121.223 0.110 0.000 2.439 112 L HA 0.259 4.598 4.340 -0.001 0.000 0.269 112 L C -0.222 176.668 176.870 0.033 0.000 1.179 112 L CA -1.303 53.580 54.840 0.072 0.000 0.828 112 L CB 0.470 42.597 42.059 0.113 0.000 1.106 112 L HN -0.006 nan 8.230 nan 0.000 0.467 113 P HA -0.116 nan 4.420 nan 0.000 0.214 113 P C 0.430 177.723 177.300 -0.012 0.000 1.163 113 P CA 1.072 64.159 63.100 -0.022 0.000 0.883 113 P CB 0.362 32.027 31.700 -0.058 0.000 0.788 114 D N -3.546 116.849 120.400 -0.008 0.000 2.119 114 D HA 0.057 4.696 4.640 -0.001 0.000 0.311 114 D C 0.442 176.737 176.300 -0.009 0.000 1.155 114 D CA 0.404 54.397 54.000 -0.012 0.000 1.036 114 D CB 0.476 41.261 40.800 -0.024 0.000 1.855 114 D HN -0.121 nan 8.370 nan 0.000 0.523 122 A N 1.693 124.415 122.820 -0.163 0.000 2.915 122 A HA 0.316 4.636 4.320 -0.001 0.000 0.292 122 A C -0.098 177.331 177.584 -0.258 0.000 1.632 122 A CA 0.366 52.323 52.037 -0.134 0.000 1.337 122 A CB -1.468 17.534 19.000 0.003 0.000 1.111 122 A HN 0.556 nan 8.150 nan 0.000 0.569 123 D N 0.137 120.431 120.400 -0.177 0.000 2.427 123 D HA 0.088 4.728 4.640 -0.001 0.000 0.224 123 D C 0.276 176.552 176.300 -0.041 0.000 1.157 123 D CA 0.183 54.109 54.000 -0.124 0.000 0.828 123 D CB 0.366 41.104 40.800 -0.103 0.000 0.974 123 D HN 0.195 nan 8.370 nan 0.000 0.498 124 S N 0.291 115.983 115.700 -0.013 0.000 2.552 124 S HA 0.320 4.790 4.470 -0.001 0.000 0.246 124 S C 0.195 174.822 174.600 0.045 0.000 1.019 124 S CA -0.478 57.741 58.200 0.032 0.000 1.045 124 S CB -0.315 62.914 63.200 0.049 0.000 0.784 124 S HN 0.335 nan 8.310 nan 0.000 0.453 125 I N 0.831 121.406 120.570 0.008 0.000 2.582 125 I HA 0.547 4.717 4.170 -0.001 0.000 0.292 125 I C -1.074 175.006 176.117 -0.062 0.000 1.066 125 I CA -0.957 60.322 61.300 -0.035 0.000 1.053 125 I CB 2.345 40.313 38.000 -0.053 0.000 1.241 125 I HN -0.061 nan 8.210 nan 0.000 0.421 126 V N 5.394 125.249 119.914 -0.098 0.000 2.655 126 V HA 0.755 4.875 4.120 -0.001 0.000 0.301 126 V C -0.351 175.654 176.094 -0.149 0.000 1.082 126 V CA -0.240 62.007 62.300 -0.089 0.000 0.899 126 V CB 1.764 33.573 31.823 -0.024 0.000 1.014 126 V HN 0.862 nan 8.190 nan 0.000 0.429 127 A N 5.618 128.349 122.820 -0.148 0.000 2.371 127 A HA 0.760 5.080 4.320 -0.001 0.000 0.257 127 A C -0.539 176.976 177.584 -0.115 0.000 1.089 127 A CA -0.261 51.681 52.037 -0.157 0.000 0.794 127 A CB 1.174 20.094 19.000 -0.133 0.000 1.029 127 A HN 1.224 nan 8.150 nan 0.000 0.488 128 V N 3.114 122.958 119.914 -0.116 0.000 2.482 128 V HA 0.195 4.314 4.120 -0.001 0.000 0.295 128 V C -0.189 175.857 176.094 -0.079 0.000 1.026 128 V CA -0.782 61.461 62.300 -0.096 0.000 0.856 128 V CB 1.668 33.423 31.823 -0.113 0.000 1.001 128 V HN 0.911 nan 8.190 nan 0.000 0.424 129 N N 4.193 122.857 118.700 -0.059 0.000 2.895 129 N HA 0.515 5.254 4.740 -0.001 0.000 0.277 129 N C 0.095 175.578 175.510 -0.044 0.000 1.185 129 N CA 0.941 53.963 53.050 -0.046 0.000 1.106 129 N CB 0.543 39.011 38.487 -0.031 0.000 1.422 129 N HN 0.990 nan 8.380 nan 0.000 0.521 130 G N -0.929 107.840 108.800 -0.051 0.000 2.315 130 G HA2 0.394 4.354 3.960 -0.001 0.000 0.294 130 G HA3 0.394 4.354 3.960 -0.001 0.000 0.294 130 G C -0.256 174.609 174.900 -0.058 0.000 1.300 130 G CA -0.300 44.772 45.100 -0.048 0.000 0.843 130 G HN 0.448 nan 8.290 nan 0.000 0.527 131 G N -1.337 107.430 108.800 -0.055 0.000 2.630 131 G HA2 0.539 4.498 3.960 -0.001 0.000 0.223 131 G HA3 0.539 4.498 3.960 -0.001 0.000 0.223 131 G C 1.125 175.971 174.900 -0.091 0.000 1.434 131 G CA 0.311 45.374 45.100 -0.063 0.000 1.057 131 G HN 1.170 nan 8.290 nan 0.000 0.570 132 L N -0.391 120.769 121.223 -0.105 0.000 2.141 132 L HA 0.069 4.409 4.340 -0.001 0.000 0.209 132 L C 2.562 179.325 176.870 -0.178 0.000 1.094 132 L CA 2.307 57.044 54.840 -0.172 0.000 0.763 132 L CB -0.517 41.414 42.059 -0.213 0.000 0.908 132 L HN 0.791 nan 8.230 nan 0.000 0.437 133 E N -1.016 119.115 120.200 -0.114 0.000 2.058 133 E HA -0.302 4.048 4.350 -0.001 0.000 0.194 133 E C 2.077 178.623 176.600 -0.090 0.000 0.997 133 E CA 1.415 57.762 56.400 -0.088 0.000 0.801 133 E CB 0.022 29.697 29.700 -0.042 0.000 0.746 133 E HN 0.525 nan 8.360 nan 0.000 0.450 134 Q N 0.157 119.907 119.800 -0.083 0.000 2.084 134 Q HA -0.098 4.242 4.340 -0.001 0.000 0.202 134 Q C 1.916 177.849 176.000 -0.111 0.000 0.978 134 Q CA 1.741 57.495 55.803 -0.081 0.000 0.844 134 Q CB -0.450 28.247 28.738 -0.069 0.000 0.898 134 Q HN 0.389 nan 8.270 nan 0.000 0.426 135 A N -0.038 122.700 122.820 -0.137 0.000 1.930 135 A HA -0.096 4.223 4.320 -0.001 0.000 0.217 135 A C 2.005 179.478 177.584 -0.185 0.000 1.175 135 A CA 1.035 52.969 52.037 -0.172 0.000 0.627 135 A CB -0.572 18.323 19.000 -0.175 0.000 0.815 135 A HN 0.349 nan 8.150 nan 0.000 0.443 136 L N -1.101 120.018 121.223 -0.174 0.000 2.156 136 L HA -0.185 4.154 4.340 -0.001 0.000 0.208 136 L C 2.803 179.610 176.870 -0.105 0.000 1.095 136 L CA 1.116 55.868 54.840 -0.147 0.000 0.770 136 L CB -0.495 41.473 42.059 -0.152 0.000 0.914 136 L HN 0.460 nan 8.230 nan 0.000 0.439 137 Q N -0.198 119.545 119.800 -0.096 0.000 2.020 137 Q HA -0.219 4.120 4.340 -0.001 0.000 0.202 137 Q C 2.350 178.306 176.000 -0.073 0.000 0.982 137 Q CA 1.357 57.119 55.803 -0.069 0.000 0.838 137 Q CB -0.195 28.510 28.738 -0.054 0.000 0.899 137 Q HN 0.397 nan 8.270 nan 0.000 0.423 138 L N 0.769 121.923 121.223 -0.115 0.000 2.013 138 L HA -0.197 4.142 4.340 -0.001 0.000 0.212 138 L C 1.851 178.576 176.870 -0.241 0.000 1.073 138 L CA 1.682 56.424 54.840 -0.163 0.000 0.753 138 L CB -0.407 41.509 42.059 -0.238 0.000 0.890 138 L HN 0.350 nan 8.230 nan 0.000 0.432 139 L N -0.307 120.752 121.223 -0.274 0.000 2.610 139 L HA -0.030 4.310 4.340 -0.001 0.000 0.232 139 L C 2.233 179.091 176.870 -0.021 0.000 1.149 139 L CA 0.402 55.102 54.840 -0.234 0.000 0.872 139 L CB -0.452 41.486 42.059 -0.202 0.000 0.992 139 L HN 0.260 nan 8.230 nan 0.000 0.447 140 A N -1.373 121.442 122.820 -0.009 0.000 2.267 140 A HA 0.150 4.469 4.320 -0.001 0.000 0.213 140 A C 1.249 178.875 177.584 0.069 0.000 1.192 140 A CA -0.137 51.916 52.037 0.027 0.000 0.851 140 A CB 0.034 19.031 19.000 -0.005 0.000 0.881 140 A HN 0.254 nan 8.150 nan 0.000 0.494 141 S N 1.656 117.426 115.700 0.116 0.000 2.558 141 S HA 0.134 4.604 4.470 -0.001 0.000 0.287 141 S C -1.620 173.056 174.600 0.126 0.000 1.321 141 S CA -0.373 57.914 58.200 0.145 0.000 1.048 141 S CB 0.451 63.800 63.200 0.249 0.000 0.844 141 S HN 0.201 nan 8.310 nan 0.000 0.512 142 P HA -0.099 nan 4.420 nan 0.000 0.222 142 P C 0.697 178.004 177.300 0.012 0.000 1.142 142 P CA 1.075 64.202 63.100 0.045 0.000 0.788 142 P CB -0.022 31.700 31.700 0.036 0.000 0.767 143 N N -2.284 116.411 118.700 -0.008 0.000 2.270 143 N HA -0.123 4.617 4.740 -0.001 0.000 0.181 143 N C 1.184 176.522 175.510 -0.287 0.000 1.016 143 N CA 0.849 53.792 53.050 -0.178 0.000 0.870 143 N CB -0.163 38.151 38.487 -0.288 0.000 0.979 143 N HN 0.249 nan 8.380 nan 0.000 0.431 144 Y N -0.007 120.292 120.300 -0.001 0.000 2.522 144 Y HA 0.025 4.574 4.550 -0.001 0.000 0.277 144 Y C 2.744 178.645 175.900 0.001 0.000 1.104 144 Y CA 0.660 58.759 58.100 -0.002 0.000 1.260 144 Y CB -0.300 38.156 38.460 -0.007 0.000 1.151 144 Y HN 0.074 nan 8.280 nan 0.000 0.539 145 T N -1.935 112.702 114.554 0.138 0.000 2.881 145 T HA -0.094 4.256 4.350 -0.001 0.000 0.270 145 T C -0.634 174.098 174.700 0.053 0.000 1.068 145 T CA 0.866 63.016 62.100 0.083 0.000 1.131 145 T CB -1.389 67.516 68.868 0.061 0.000 0.871 145 T HN 0.165 nan 8.240 nan 0.000 0.479 146 P HA -0.004 nan 4.420 nan 0.000 0.212 146 P C 2.203 179.517 177.300 0.025 0.000 1.180 146 P CA 1.508 64.621 63.100 0.022 0.000 0.902 146 P CB -0.290 31.412 31.700 0.003 0.000 0.778 147 S N -0.155 115.557 115.700 0.020 0.000 2.348 147 S HA -0.083 4.387 4.470 -0.001 0.000 0.221 147 S C 1.096 175.728 174.600 0.053 0.000 1.033 147 S CA 0.919 59.135 58.200 0.027 0.000 1.010 147 S CB -1.182 62.023 63.200 0.009 0.000 0.891 147 S HN -0.050 nan 8.310 nan 0.000 0.442 148 I N 2.873 123.495 120.570 0.087 0.000 2.322 148 I HA 0.300 4.470 4.170 -0.001 0.000 0.292 148 I C 1.385 177.530 176.117 0.046 0.000 1.060 148 I CA -0.416 60.933 61.300 0.082 0.000 1.309 148 I CB 0.526 38.596 38.000 0.117 0.000 1.415 148 I HN 0.433 nan 8.210 nan 0.000 0.492 149 E N 4.432 124.650 120.200 0.029 0.000 2.042 149 E HA -0.003 4.346 4.350 -0.001 0.000 0.189 149 E C -0.210 176.380 176.600 -0.018 0.000 0.974 149 E CA 0.930 57.336 56.400 0.010 0.000 0.806 149 E CB 0.524 30.230 29.700 0.010 0.000 0.769 149 E HN 0.617 nan 8.360 nan 0.000 0.451 150 T N 0.609 115.138 114.554 -0.042 0.000 2.893 150 T HA 0.477 4.827 4.350 -0.001 0.000 0.293 150 T C -1.041 173.524 174.700 -0.224 0.000 1.027 150 T CA -0.722 61.281 62.100 -0.163 0.000 0.988 150 T CB 2.303 71.034 68.868 -0.229 0.000 1.043 150 T HN -0.110 nan 8.240 nan 0.000 0.461 151 V N 2.987 122.731 119.914 -0.285 0.000 2.417 151 V HA 0.485 4.605 4.120 -0.001 0.000 0.291 151 V C -1.307 174.623 176.094 -0.273 0.000 1.024 151 V CA -0.812 61.392 62.300 -0.161 0.000 0.861 151 V CB 0.814 32.631 31.823 -0.011 0.000 0.985 151 V HN 0.801 nan 8.190 nan 0.000 0.436 152 Y N 2.485 122.861 120.300 0.126 0.000 2.377 152 Y HA 0.467 5.016 4.550 -0.001 0.000 0.339 152 Y C 0.343 176.359 175.900 0.194 0.000 1.011 152 Y CA -0.610 57.593 58.100 0.171 0.000 1.093 152 Y CB 1.724 40.226 38.460 0.070 0.000 1.201 152 Y HN 0.638 nan 8.280 nan 0.000 0.455 153 C N 6.921 126.496 119.300 0.459 0.000 2.200 153 C HA 0.409 4.868 4.460 -0.001 0.000 0.328 153 C C 1.421 176.632 174.990 0.369 0.000 1.148 153 C CA -0.700 58.522 59.018 0.339 0.000 1.624 153 C CB -2.172 25.812 27.740 0.406 0.000 2.167 153 C HN 0.940 nan 8.230 nan 0.000 0.484 154 I N 4.332 125.059 120.570 0.261 0.000 3.728 154 I HA 0.442 4.612 4.170 -0.001 0.000 0.307 154 I C 1.174 177.293 176.117 0.002 0.000 1.276 154 I CA 0.741 62.211 61.300 0.283 0.000 1.285 154 I CB -0.379 37.854 38.000 0.388 0.000 1.038 154 I HN 0.807 nan 8.210 nan 0.000 0.445 155 G N 1.590 110.245 108.800 -0.241 0.000 2.554 155 G HA2 0.171 4.131 3.960 -0.001 0.000 0.253 155 G HA3 0.171 4.131 3.960 -0.001 0.000 0.253 155 G C 0.375 174.924 174.900 -0.585 0.000 1.172 155 G CA -0.052 44.515 45.100 -0.888 0.000 0.950 155 G HN 1.758 nan 8.290 nan 0.000 0.557 156 G N -1.961 106.429 108.800 -0.684 0.000 2.770 156 G HA2 0.469 4.429 3.960 -0.001 0.000 0.686 156 G HA3 0.469 4.429 3.960 -0.001 0.000 0.686 156 G C 1.355 176.076 174.900 -0.298 0.000 1.180 156 G CA 0.680 45.585 45.100 -0.326 0.000 0.767 156 G HN 2.310 nan 8.290 nan 0.000 0.646 157 G N 0.805 109.592 108.800 -0.022 0.000 2.513 157 G HA2 -0.033 3.927 3.960 -0.001 0.000 0.219 157 G HA3 -0.033 3.927 3.960 -0.001 0.000 0.219 157 G C 2.388 177.368 174.900 0.134 0.000 1.160 157 G CA 2.629 47.824 45.100 0.159 0.000 0.767 157 G HN 2.214 nan 8.290 nan 0.000 0.571 158 S N 0.047 115.773 115.700 0.045 0.000 2.383 158 S HA -0.068 4.401 4.470 -0.001 0.000 0.227 158 S C 2.289 176.907 174.600 0.031 0.000 1.026 158 S CA 1.502 59.727 58.200 0.043 0.000 0.981 158 S CB -0.393 62.815 63.200 0.013 0.000 0.818 158 S HN 0.149 nan 8.310 nan 0.000 0.472 159 V N 0.500 120.386 119.914 -0.048 0.000 2.379 159 V HA -0.084 4.036 4.120 -0.001 0.000 0.245 159 V C 2.376 178.501 176.094 0.052 0.000 1.044 159 V CA 1.486 63.745 62.300 -0.069 0.000 1.036 159 V CB -1.178 30.534 31.823 -0.186 0.000 0.664 159 V HN 0.408 nan 8.190 nan 0.000 0.453 160 Y N 1.120 121.493 120.300 0.121 0.000 2.165 160 Y HA -0.179 4.371 4.550 -0.000 0.000 0.286 160 Y C 2.613 178.660 175.900 0.244 0.000 1.155 160 Y CA 0.884 59.112 58.100 0.213 0.000 1.164 160 Y CB -1.417 37.197 38.460 0.256 0.000 0.978 160 Y HN 0.188 nan 8.280 nan 0.000 0.513 161 A N -0.018 123.006 122.820 0.340 0.000 1.865 161 A HA -0.288 4.031 4.320 -0.001 0.000 0.217 161 A C 2.274 179.960 177.584 0.170 0.000 1.191 161 A CA 2.057 54.226 52.037 0.219 0.000 0.623 161 A CB -0.876 18.218 19.000 0.156 0.000 0.826 161 A HN 0.527 nan 8.150 nan 0.000 0.444 162 E N -0.386 119.897 120.200 0.138 0.000 2.110 162 E HA -0.110 4.240 4.350 -0.001 0.000 0.193 162 E C 2.089 178.774 176.600 0.142 0.000 0.988 162 E CA 0.900 57.360 56.400 0.100 0.000 0.804 162 E CB -0.233 29.495 29.700 0.046 0.000 0.745 162 E HN 0.555 nan 8.360 nan 0.000 0.458 163 A N 0.718 123.667 122.820 0.215 0.000 2.019 163 A HA -0.102 4.217 4.320 -0.001 0.000 0.219 163 A C 1.906 179.702 177.584 0.353 0.000 1.164 163 A CA 0.720 52.971 52.037 0.358 0.000 0.644 163 A CB -0.124 19.181 19.000 0.508 0.000 0.805 163 A HN 0.283 nan 8.150 nan 0.000 0.449 164 L N -0.612 120.767 121.223 0.260 0.000 2.592 164 L HA 0.153 4.492 4.340 -0.001 0.000 0.227 164 L C 1.018 177.958 176.870 0.117 0.000 1.127 164 L CA 0.671 55.622 54.840 0.186 0.000 0.884 164 L CB -0.977 41.157 42.059 0.126 0.000 1.065 164 L HN 0.629 nan 8.230 nan 0.000 0.457 165 R N -1.041 119.520 120.500 0.102 0.000 2.888 165 R HA 0.627 4.967 4.340 -0.001 0.000 0.266 165 R C -2.824 173.489 176.300 0.021 0.000 1.020 165 R CA -2.015 54.115 56.100 0.050 0.000 0.963 165 R CB 0.367 30.701 30.300 0.058 0.000 1.197 165 R HN -0.246 nan 8.270 nan 0.000 0.481 166 P HA 0.099 nan 4.420 nan 0.000 0.271 166 P C -1.814 175.532 177.300 0.077 0.000 1.216 166 P CA -1.094 62.027 63.100 0.036 0.000 0.776 166 P CB 0.478 32.249 31.700 0.118 0.000 0.881 167 P HA 0.014 nan 4.420 nan 0.000 0.230 167 P C 0.722 178.112 177.300 0.150 0.000 1.168 167 P CA 0.601 63.793 63.100 0.153 0.000 0.793 167 P CB -0.076 31.692 31.700 0.113 0.000 0.851 168 C N -0.110 119.263 119.300 0.121 0.000 2.429 168 C HA -0.083 4.376 4.460 -0.001 0.000 0.277 168 C C 2.817 177.981 174.990 0.291 0.000 1.262 168 C CA 0.736 59.878 59.018 0.208 0.000 1.733 168 C CB -1.594 26.247 27.740 0.168 0.000 2.010 168 C HN 0.127 nan 8.230 nan 0.000 0.483 169 V N 0.716 120.704 119.914 0.124 0.000 2.660 169 V HA -0.224 3.896 4.120 -0.001 0.000 0.257 169 V C 2.231 178.326 176.094 0.002 0.000 1.088 169 V CA 2.005 64.348 62.300 0.071 0.000 1.106 169 V CB -0.786 31.019 31.823 -0.030 0.000 0.686 169 V HN 0.638 nan 8.190 nan 0.000 0.481 170 H N -1.173 117.998 119.070 0.168 0.000 2.555 170 H HA 0.162 4.717 4.556 -0.001 0.000 0.269 170 H C 1.584 176.988 175.328 0.127 0.000 0.988 170 H CA 0.591 56.712 56.048 0.121 0.000 1.178 170 H CB 0.345 30.180 29.762 0.122 0.000 1.373 170 H HN 0.329 nan 8.280 nan 0.000 0.588 171 L N 0.762 122.130 121.223 0.241 0.000 2.640 171 L HA 0.085 4.424 4.340 -0.001 0.000 0.230 171 L C 0.369 177.174 176.870 -0.109 0.000 1.123 171 L CA -0.075 54.880 54.840 0.190 0.000 0.900 171 L CB -0.252 42.002 42.059 0.326 0.000 1.146 171 L HN 0.087 nan 8.230 nan 0.000 0.484 172 L N 1.737 122.815 121.223 -0.241 0.000 2.407 172 L HA 0.053 4.392 4.340 -0.001 0.000 0.282 172 L C 1.552 178.321 176.870 -0.167 0.000 1.110 172 L CA 0.582 55.121 54.840 -0.501 0.000 0.863 172 L CB 0.822 42.790 42.059 -0.152 0.000 1.207 172 L HN 0.332 nan 8.230 nan 0.000 0.454 173 Q N 4.531 124.216 119.800 -0.192 0.000 2.269 173 Q HA 0.361 4.700 4.340 -0.001 0.000 0.201 173 Q C 0.213 176.216 176.000 0.005 0.000 0.946 173 Q CA 0.659 56.421 55.803 -0.067 0.000 0.877 173 Q CB 0.281 28.989 28.738 -0.049 0.000 0.963 173 Q HN 0.647 nan 8.270 nan 0.000 0.472 174 A N 0.446 123.290 122.820 0.040 0.000 2.597 174 A HA 0.644 4.964 4.320 -0.001 0.000 0.292 174 A C -1.738 175.851 177.584 0.009 0.000 1.057 174 A CA -0.852 51.209 52.037 0.040 0.000 0.674 174 A CB 1.108 20.037 19.000 -0.119 0.000 1.278 174 A HN 0.237 nan 8.150 nan 0.000 0.416 175 I N 1.023 121.535 120.570 -0.097 0.000 2.447 175 I HA 0.345 4.515 4.170 -0.001 0.000 0.287 175 I C -1.575 174.438 176.117 -0.173 0.000 1.023 175 I CA -0.331 60.918 61.300 -0.086 0.000 1.083 175 I CB 1.666 39.580 38.000 -0.143 0.000 1.245 175 I HN 0.620 nan 8.210 nan 0.000 0.434 176 Y N 5.760 126.168 120.300 0.180 0.000 2.504 176 Y HA 0.456 5.006 4.550 -0.001 0.000 0.339 176 Y C 0.298 176.339 175.900 0.235 0.000 0.974 176 Y CA -0.450 57.814 58.100 0.272 0.000 1.232 176 Y CB 0.837 39.506 38.460 0.348 0.000 1.108 176 Y HN 0.431 nan 8.280 nan 0.000 0.509 177 R N 1.703 122.362 120.500 0.265 0.000 2.445 177 R HA 0.534 4.874 4.340 -0.001 0.000 0.308 177 R C -1.009 175.352 176.300 0.102 0.000 0.961 177 R CA -0.441 55.743 56.100 0.142 0.000 0.862 177 R CB 1.015 31.361 30.300 0.077 0.000 1.144 177 R HN 0.519 nan 8.270 nan 0.000 0.447 178 T N 2.874 117.455 114.554 0.044 0.000 2.767 178 T HA 0.232 4.581 4.350 -0.001 0.000 0.284 178 T C -0.472 174.048 174.700 -0.299 0.000 0.973 178 T CA -0.295 61.727 62.100 -0.129 0.000 0.996 178 T CB 1.548 70.403 68.868 -0.021 0.000 0.927 178 T HN 0.436 nan 8.240 nan 0.000 0.456 179 T N 4.166 118.367 114.554 -0.588 0.000 2.743 179 T HA 0.446 4.796 4.350 -0.001 0.000 0.292 179 T C 0.130 174.428 174.700 -0.669 0.000 0.972 179 T CA -0.434 61.252 62.100 -0.689 0.000 0.967 179 T CB 0.108 68.345 68.868 -1.052 0.000 0.926 179 T HN 0.330 nan 8.240 nan 0.000 0.459 180 I N 3.783 123.979 120.570 -0.624 0.000 2.315 180 I HA 0.256 4.426 4.170 -0.001 0.000 0.291 180 I C 1.338 177.177 176.117 -0.462 0.000 1.006 180 I CA -0.265 60.657 61.300 -0.632 0.000 1.265 180 I CB 0.897 38.222 38.000 -1.125 0.000 1.387 180 I HN 0.366 nan 8.210 nan 0.000 0.475 181 R N 5.598 125.927 120.500 -0.285 0.000 3.298 181 R HA 0.362 4.701 4.340 -0.001 0.000 0.249 181 R C -0.081 176.136 176.300 -0.139 0.000 1.563 181 R CA -0.171 55.831 56.100 -0.164 0.000 1.378 181 R CB -0.475 29.780 30.300 -0.075 0.000 1.250 181 R HN 0.615 nan 8.270 nan 0.000 0.580 182 A N 0.425 123.126 122.820 -0.197 0.000 2.306 182 A HA 0.487 4.807 4.320 -0.001 0.000 0.330 182 A C -0.200 177.333 177.584 -0.085 0.000 1.146 182 A CA -0.366 51.603 52.037 -0.114 0.000 0.827 182 A CB 1.394 20.339 19.000 -0.092 0.000 1.178 182 A HN 0.141 nan 8.150 nan 0.000 0.490 183 S N 1.524 117.211 115.700 -0.022 0.000 2.594 183 S HA 0.371 4.841 4.470 -0.001 0.000 0.322 183 S C -0.857 173.769 174.600 0.043 0.000 1.085 183 S CA -0.544 57.663 58.200 0.011 0.000 1.116 183 S CB 0.358 63.568 63.200 0.016 0.000 0.979 183 S HN 0.634 nan 8.310 nan 0.000 0.465 184 E N 2.135 122.379 120.200 0.073 0.000 2.133 184 E HA 0.272 4.621 4.350 -0.001 0.000 0.274 184 E C 0.067 176.711 176.600 0.075 0.000 0.930 184 E CA -0.440 56.011 56.400 0.083 0.000 0.770 184 E CB 1.528 31.304 29.700 0.126 0.000 1.104 184 E HN 0.369 nan 8.360 nan 0.000 0.403 185 S N 1.456 117.194 115.700 0.064 0.000 2.547 185 S HA -0.088 4.382 4.470 -0.001 0.000 0.235 185 S C 1.624 176.262 174.600 0.063 0.000 0.980 185 S CA 0.559 58.802 58.200 0.071 0.000 0.941 185 S CB 0.076 63.309 63.200 0.056 0.000 0.763 185 S HN 0.403 nan 8.310 nan 0.000 0.532 186 S N 0.665 116.390 115.700 0.041 0.000 2.345 186 S HA -0.055 4.415 4.470 -0.001 0.000 0.220 186 S C 1.199 175.796 174.600 -0.005 0.000 1.031 186 S CA 0.205 58.414 58.200 0.015 0.000 0.996 186 S CB -0.491 62.706 63.200 -0.003 0.000 0.882 186 S HN 0.550 nan 8.310 nan 0.000 0.445 187 C N 3.651 122.926 119.300 -0.042 0.000 2.517 187 C HA 0.161 4.621 4.460 -0.001 0.000 0.403 187 C C 1.978 176.862 174.990 -0.177 0.000 1.467 187 C CA 0.346 59.261 59.018 -0.172 0.000 1.542 187 C CB -0.730 26.845 27.740 -0.275 0.000 2.482 187 C HN 0.691 nan 8.230 nan 0.000 0.610 188 S N 2.710 118.342 115.700 -0.113 0.000 2.526 188 S HA 0.183 4.653 4.470 -0.001 0.000 0.220 188 S C -0.012 174.672 174.600 0.141 0.000 1.017 188 S CA -0.120 58.140 58.200 0.100 0.000 0.930 188 S CB 0.027 63.277 63.200 0.083 0.000 0.856 188 S HN 0.503 nan 8.310 nan 0.000 0.497 189 V N 2.337 122.190 119.914 -0.101 0.000 2.513 189 V HA 0.646 4.765 4.120 -0.001 0.000 0.299 189 V C -1.017 174.974 176.094 -0.172 0.000 1.035 189 V CA -0.693 61.621 62.300 0.024 0.000 0.889 189 V CB 0.929 32.766 31.823 0.023 0.000 0.988 189 V HN 0.346 nan 8.190 nan 0.000 0.440 190 F N 3.378 123.411 119.950 0.137 0.000 2.593 190 F HA 0.721 5.247 4.527 -0.001 0.000 0.320 190 F C -0.694 175.241 175.800 0.224 0.000 1.060 190 F CA -0.877 57.213 58.000 0.150 0.000 0.940 190 F CB 2.209 41.259 39.000 0.084 0.000 1.268 190 F HN 0.434 nan 8.300 nan 0.000 0.475 191 F N 3.173 123.243 119.950 0.199 0.000 2.617 191 F HA 0.607 5.133 4.527 -0.001 0.000 0.325 191 F C -1.211 174.608 175.800 0.032 0.000 1.179 191 F CA -0.607 57.433 58.000 0.066 0.000 0.965 191 F CB 0.924 39.874 39.000 -0.082 0.000 1.232 191 F HN 0.267 nan 8.300 nan 0.000 0.461 192 R N 5.596 125.718 120.500 -0.629 0.000 2.439 192 R HA 0.444 4.784 4.340 -0.001 0.000 0.310 192 R C -1.350 174.480 176.300 -0.784 0.000 0.955 192 R CA -0.965 54.828 56.100 -0.512 0.000 0.853 192 R CB 1.953 32.111 30.300 -0.236 0.000 1.171 192 R HN 0.471 nan 8.270 nan 0.000 0.449 193 V N 5.758 125.275 119.914 -0.662 0.000 2.479 193 V HA 0.107 4.227 4.120 -0.001 0.000 0.281 193 V C -1.738 174.146 176.094 -0.349 0.000 1.031 193 V CA -1.121 60.839 62.300 -0.566 0.000 1.038 193 V CB 0.517 32.086 31.823 -0.424 0.000 0.981 193 V HN 0.532 nan 8.190 nan 0.000 0.478 194 P HA 0.268 nan 4.420 nan 0.000 0.271 194 P C -0.321 176.982 177.300 0.004 0.000 1.216 194 P CA -0.319 62.720 63.100 -0.102 0.000 0.771 194 P CB 0.635 32.322 31.700 -0.021 0.000 0.864 195 E N 0.615 120.831 120.200 0.027 0.000 2.301 195 E HA 0.208 4.558 4.350 -0.001 0.000 0.275 195 E C 0.132 176.798 176.600 0.110 0.000 1.030 195 E CA -0.477 55.966 56.400 0.072 0.000 0.852 195 E CB 0.590 30.310 29.700 0.033 0.000 1.060 195 E HN 0.331 nan 8.360 nan 0.000 0.401 196 S N 1.946 117.725 115.700 0.132 0.000 2.702 196 S HA 0.086 4.556 4.470 -0.001 0.000 0.314 196 S C 1.179 175.813 174.600 0.057 0.000 1.244 196 S CA 1.146 59.403 58.200 0.095 0.000 1.058 196 S CB -0.293 62.949 63.200 0.069 0.000 0.783 196 S HN 0.823 nan 8.310 nan 0.000 0.503 197 G N 3.076 111.904 108.800 0.046 0.000 2.241 197 G HA2 -0.272 3.687 3.960 -0.001 0.000 0.244 197 G HA3 -0.272 3.687 3.960 -0.001 0.000 0.244 197 G C 0.357 175.276 174.900 0.031 0.000 0.998 197 G CA 0.620 45.738 45.100 0.030 0.000 0.621 197 G HN 1.571 nan 8.290 nan 0.000 0.519 198 T N -1.458 113.119 114.554 0.039 0.000 2.849 198 T HA 0.615 4.964 4.350 -0.001 0.000 0.284 198 T C 1.114 175.835 174.700 0.035 0.000 1.004 198 T CA 0.607 62.725 62.100 0.030 0.000 1.021 198 T CB 1.834 70.716 68.868 0.023 0.000 1.013 198 T HN 0.266 nan 8.240 nan 0.000 0.527 199 E N 0.862 121.078 120.200 0.026 0.000 2.077 199 E HA -0.110 4.240 4.350 -0.001 0.000 0.193 199 E C 2.427 179.049 176.600 0.036 0.000 0.989 199 E CA 1.167 57.584 56.400 0.029 0.000 0.800 199 E CB -0.437 29.275 29.700 0.020 0.000 0.746 199 E HN 0.833 nan 8.360 nan 0.000 0.452 200 A N 1.105 123.941 122.820 0.027 0.000 2.125 200 A HA -0.079 4.240 4.320 -0.001 0.000 0.219 200 A C 2.235 179.854 177.584 0.058 0.000 1.156 200 A CA 1.402 53.454 52.037 0.025 0.000 0.671 200 A CB -0.404 18.592 19.000 -0.006 0.000 0.794 200 A HN 0.283 nan 8.150 nan 0.000 0.459 201 A N -1.157 121.714 122.820 0.086 0.000 2.167 201 A HA 0.408 4.728 4.320 -0.001 0.000 0.214 201 A C 1.647 179.310 177.584 0.131 0.000 1.151 201 A CA 1.184 53.316 52.037 0.157 0.000 0.735 201 A CB -0.896 18.203 19.000 0.165 0.000 0.802 201 A HN 1.945 nan 8.150 nan 0.000 0.467 202 A N -2.060 120.814 122.820 0.091 0.000 2.665 202 A HA 0.118 4.437 4.320 -0.001 0.000 0.301 202 A C 1.922 179.568 177.584 0.103 0.000 1.509 202 A CA 1.494 53.584 52.037 0.089 0.000 0.789 202 A CB -1.946 17.104 19.000 0.083 0.000 1.024 202 A HN 2.512 nan 8.150 nan 0.000 0.460 203 G N -2.632 106.213 108.800 0.075 0.000 2.176 203 G HA2 -0.190 3.769 3.960 -0.001 0.000 0.253 203 G HA3 -0.190 3.769 3.960 -0.001 0.000 0.253 203 G C 0.010 174.920 174.900 0.017 0.000 0.979 203 G CA 0.237 45.369 45.100 0.053 0.000 0.641 203 G HN 1.307 nan 8.290 nan 0.000 0.530 204 I N 1.021 121.591 120.570 -0.000 0.000 2.396 204 I HA 0.380 4.549 4.170 -0.001 0.000 0.292 204 I C 0.373 176.372 176.117 -0.197 0.000 0.999 204 I CA -0.529 60.672 61.300 -0.166 0.000 1.310 204 I CB 1.211 39.042 38.000 -0.282 0.000 1.404 204 I HN 0.137 nan 8.210 nan 0.000 0.496 205 E N 5.349 125.378 120.200 -0.285 0.000 2.070 205 E HA 0.209 4.559 4.350 -0.001 0.000 0.261 205 E C -1.320 175.134 176.600 -0.242 0.000 0.926 205 E CA -0.373 55.924 56.400 -0.172 0.000 0.760 205 E CB 0.745 30.382 29.700 -0.104 0.000 1.133 205 E HN 0.372 nan 8.360 nan 0.000 0.420 206 W N 2.533 123.829 121.300 -0.008 0.000 2.266 206 W HA 0.171 4.831 4.660 -0.001 0.000 0.317 206 W C 0.618 177.132 176.519 -0.008 0.000 1.310 206 W CA -0.237 57.102 57.345 -0.010 0.000 1.207 206 W CB 0.757 30.211 29.460 -0.010 0.000 1.199 206 W HN 0.238 nan 8.180 nan 0.000 0.544 207 Q N 2.210 122.148 119.800 0.230 0.000 2.397 207 Q HA 0.331 4.671 4.340 -0.001 0.000 0.275 207 Q C -0.641 175.442 176.000 0.138 0.000 1.090 207 Q CA -1.448 54.435 55.803 0.134 0.000 0.809 207 Q CB 2.761 31.534 28.738 0.059 0.000 1.362 207 Q HN 0.424 nan 8.270 nan 0.000 0.431 208 R N 2.015 122.574 120.500 0.097 0.000 2.248 208 R HA 0.031 4.371 4.340 -0.001 0.000 0.337 208 R C 0.803 177.144 176.300 0.068 0.000 1.085 208 R CA 0.277 56.426 56.100 0.082 0.000 0.934 208 R CB 0.444 30.782 30.300 0.062 0.000 1.034 208 R HN 0.781 nan 8.270 nan 0.000 0.465 209 E N 2.387 122.630 120.200 0.072 0.000 2.051 209 E HA -0.071 4.279 4.350 -0.001 0.000 0.189 209 E C -0.233 176.410 176.600 0.071 0.000 0.979 209 E CA 1.341 57.781 56.400 0.067 0.000 0.803 209 E CB 0.358 30.098 29.700 0.066 0.000 0.761 209 E HN 0.737 nan 8.360 nan 0.000 0.451 210 T N -1.816 112.787 114.554 0.082 0.000 2.868 210 T HA 0.599 4.949 4.350 -0.001 0.000 0.306 210 T C -0.684 174.074 174.700 0.097 0.000 1.224 210 T CA -0.907 61.246 62.100 0.089 0.000 1.012 210 T CB 1.912 70.848 68.868 0.113 0.000 1.221 210 T HN 0.129 nan 8.240 nan 0.000 0.499 211 I N 1.838 122.457 120.570 0.082 0.000 2.610 211 I HA 0.509 4.679 4.170 -0.001 0.000 0.289 211 I C -0.040 176.115 176.117 0.065 0.000 1.163 211 I CA -0.537 60.810 61.300 0.079 0.000 1.044 211 I CB 2.073 40.079 38.000 0.009 0.000 1.251 211 I HN 1.089 nan 8.210 nan 0.000 0.424 212 S N 5.163 120.932 115.700 0.116 0.000 2.593 212 S HA 0.271 4.740 4.470 -0.001 0.000 0.269 212 S C 0.021 174.610 174.600 -0.019 0.000 1.334 212 S CA -0.484 57.771 58.200 0.092 0.000 1.015 212 S CB 0.823 64.142 63.200 0.199 0.000 0.912 212 S HN 0.722 nan 8.310 nan 0.000 0.541 213 E N 0.521 120.699 120.200 -0.036 0.000 2.408 213 E HA 0.113 4.463 4.350 -0.001 0.000 0.259 213 E C -0.162 176.353 176.600 -0.141 0.000 1.110 213 E CA -0.619 55.725 56.400 -0.093 0.000 0.929 213 E CB 0.285 29.945 29.700 -0.066 0.000 0.971 213 E HN 0.762 nan 8.360 nan 0.000 0.438 214 E N 1.878 121.974 120.200 -0.173 0.000 2.417 214 E HA 0.052 4.401 4.350 -0.001 0.000 0.261 214 E C -0.911 175.540 176.600 -0.248 0.000 1.000 214 E CA -0.065 56.224 56.400 -0.186 0.000 0.919 214 E CB 0.395 30.009 29.700 -0.144 0.000 0.955 214 E HN 0.359 nan 8.360 nan 0.000 0.455 215 L N 3.096 124.034 121.223 -0.476 0.000 2.313 215 L HA 0.482 4.822 4.340 -0.001 0.000 0.268 215 L C -0.031 176.581 176.870 -0.429 0.000 1.010 215 L CA -0.878 53.634 54.840 -0.547 0.000 0.814 215 L CB 2.194 43.720 42.059 -0.888 0.000 1.304 215 L HN 0.449 nan 8.230 nan 0.000 0.441 216 T N -0.007 114.471 114.554 -0.126 0.000 2.807 216 T HA 0.282 4.631 4.350 -0.001 0.000 0.279 216 T C -0.261 174.595 174.700 0.260 0.000 0.993 216 T CA -0.429 61.709 62.100 0.063 0.000 0.970 216 T CB 1.666 70.550 68.868 0.028 0.000 0.950 216 T HN 0.540 nan 8.240 nan 0.000 0.441 217 S N 1.385 117.262 115.700 0.295 0.000 2.580 217 S HA 0.483 4.953 4.470 -0.001 0.000 0.274 217 S C 0.967 175.619 174.600 0.087 0.000 1.329 217 S CA -0.591 57.712 58.200 0.173 0.000 1.036 217 S CB 0.401 63.596 63.200 -0.009 0.000 0.919 217 S HN 0.823 nan 8.310 nan 0.000 0.515 218 A N 3.533 126.390 122.820 0.061 0.000 2.532 218 A HA 0.187 4.506 4.320 -0.001 0.000 0.273 218 A C 1.082 178.679 177.584 0.021 0.000 1.342 218 A CA -0.161 51.901 52.037 0.041 0.000 0.929 218 A CB -0.883 18.144 19.000 0.044 0.000 1.051 218 A HN 0.894 nan 8.150 nan 0.000 0.521 219 N N -0.435 118.273 118.700 0.013 0.000 2.521 219 N HA 0.156 4.895 4.740 -0.001 0.000 0.188 219 N C 0.998 176.515 175.510 0.011 0.000 1.146 219 N CA 0.804 53.857 53.050 0.006 0.000 0.893 219 N CB -0.360 38.127 38.487 -0.000 0.000 0.975 219 N HN 0.689 nan 8.380 nan 0.000 0.451 220 G N -0.113 108.696 108.800 0.015 0.000 2.160 220 G HA2 -0.277 3.682 3.960 -0.001 0.000 0.244 220 G HA3 -0.277 3.682 3.960 -0.001 0.000 0.244 220 G C 0.198 175.106 174.900 0.013 0.000 1.022 220 G CA 0.254 45.362 45.100 0.014 0.000 0.741 220 G HN 0.498 nan 8.290 nan 0.000 0.508 221 N N 0.553 119.262 118.700 0.015 0.000 2.160 221 N HA 0.127 4.867 4.740 -0.001 0.000 0.226 221 N C 0.672 176.190 175.510 0.013 0.000 1.256 221 N CA 0.474 53.531 53.050 0.013 0.000 0.890 221 N CB 0.340 38.836 38.487 0.014 0.000 1.116 221 N HN 0.526 nan 8.380 nan 0.000 0.517 222 E N -0.305 119.906 120.200 0.018 0.000 2.660 222 E HA -0.164 4.186 4.350 -0.001 0.000 0.260 222 E C -0.667 175.946 176.600 0.023 0.000 1.122 222 E CA 0.682 57.095 56.400 0.021 0.000 0.755 222 E CB -2.794 26.914 29.700 0.012 0.000 1.345 222 E HN 0.190 nan 8.360 nan 0.000 0.421 223 T N 2.397 116.966 114.554 0.024 0.000 2.792 223 T HA 0.076 4.426 4.350 -0.001 0.000 0.286 223 T C 0.695 175.430 174.700 0.059 0.000 0.970 223 T CA 0.069 62.177 62.100 0.013 0.000 1.187 223 T CB 0.673 69.532 68.868 -0.015 0.000 0.915 223 T HN -0.013 nan 8.240 nan 0.000 0.529 224 K N 3.268 123.679 120.400 0.019 0.000 2.237 224 K HA 0.399 4.719 4.320 -0.001 0.000 0.270 224 K C -0.176 176.441 176.600 0.028 0.000 1.015 224 K CA -0.354 55.940 56.287 0.012 0.000 0.949 224 K CB 0.788 33.273 32.500 -0.024 0.000 0.976 224 K HN 0.805 nan 8.250 nan 0.000 0.472 225 Y N -0.685 119.505 120.300 -0.184 0.000 2.689 225 Y HA 0.626 5.176 4.550 -0.000 0.000 0.333 225 Y C -1.435 174.288 175.900 -0.295 0.000 1.208 225 Y CA -1.688 56.203 58.100 -0.349 0.000 1.055 225 Y CB 1.051 39.246 38.460 -0.441 0.000 1.304 225 Y HN 0.614 nan 8.280 nan 0.000 0.455 226 Y N -0.776 119.232 120.300 -0.487 0.000 2.592 226 Y HA 0.784 5.334 4.550 -0.000 0.000 0.334 226 Y C -2.401 173.149 175.900 -0.584 0.000 1.136 226 Y CA -2.491 55.248 58.100 -0.601 0.000 1.042 226 Y CB 0.917 39.170 38.460 -0.344 0.000 1.325 226 Y HN 0.550 nan 8.280 nan 0.000 0.457 227 F N 1.585 121.550 119.950 0.026 0.000 2.425 227 F HA 0.653 5.179 4.527 -0.001 0.000 0.331 227 F C -0.081 175.767 175.800 0.080 0.000 1.085 227 F CA -0.737 57.201 58.000 -0.104 0.000 1.028 227 F CB 1.909 40.702 39.000 -0.346 0.000 1.177 227 F HN 0.636 nan 8.300 nan 0.000 0.487 228 E N 0.798 121.159 120.200 0.269 0.000 2.343 228 E HA 0.380 4.730 4.350 -0.001 0.000 0.278 228 E C -1.737 174.972 176.600 0.182 0.000 0.910 228 E CA -1.288 55.243 56.400 0.218 0.000 0.757 228 E CB 2.634 32.451 29.700 0.196 0.000 1.218 228 E HN 0.532 nan 8.360 nan 0.000 0.435 229 K N 3.655 124.132 120.400 0.129 0.000 2.265 229 K HA 0.397 4.716 4.320 -0.001 0.000 0.267 229 K C -1.197 175.406 176.600 0.004 0.000 0.994 229 K CA -0.600 55.685 56.287 -0.003 0.000 0.860 229 K CB 0.816 33.311 32.500 -0.008 0.000 1.099 229 K HN 0.552 nan 8.250 nan 0.000 0.448 230 L N 6.908 128.121 121.223 -0.017 0.000 2.322 230 L HA 0.565 4.905 4.340 -0.001 0.000 0.281 230 L C -0.122 176.896 176.870 0.247 0.000 1.014 230 L CA -1.058 53.849 54.840 0.112 0.000 0.815 230 L CB 1.300 43.400 42.059 0.068 0.000 1.247 230 L HN 0.609 nan 8.230 nan 0.000 0.421 231 I N 0.794 121.551 120.570 0.312 0.000 2.785 231 I HA 0.714 4.883 4.170 -0.001 0.000 0.302 231 I C -2.698 173.424 176.117 0.010 0.000 1.069 231 I CA -2.528 58.903 61.300 0.219 0.000 1.045 231 I CB 2.434 40.467 38.000 0.054 0.000 1.236 231 I HN 0.254 nan 8.210 nan 0.000 0.429 232 P HA 0.273 nan 4.420 nan 0.000 0.285 232 P C -1.039 176.041 177.300 -0.366 0.000 1.259 232 P CA -0.417 62.222 63.100 -0.769 0.000 0.794 232 P CB 1.033 32.170 31.700 -0.937 0.000 0.940 233 R N 2.755 123.070 120.500 -0.309 0.000 2.401 233 R HA 0.090 4.429 4.340 -0.001 0.000 0.299 233 R C 0.603 176.787 176.300 -0.193 0.000 1.064 233 R CA -0.128 55.860 56.100 -0.187 0.000 1.000 233 R CB -0.085 30.129 30.300 -0.143 0.000 0.973 233 R HN 0.379 nan 8.270 nan 0.000 0.438 234 N N 4.058 122.651 118.700 -0.178 0.000 2.868 234 N HA 0.020 4.760 4.740 -0.001 0.000 0.252 234 N C 0.520 175.939 175.510 -0.151 0.000 1.130 234 N CA -0.073 52.842 53.050 -0.225 0.000 1.026 234 N CB 0.419 38.704 38.487 -0.337 0.000 1.335 234 N HN 0.464 nan 8.380 nan 0.000 0.516 235 R N 1.570 122.000 120.500 -0.117 0.000 2.133 235 R HA -0.154 4.185 4.340 -0.001 0.000 0.247 235 R C 1.011 177.281 176.300 -0.051 0.000 1.151 235 R CA 1.413 57.468 56.100 -0.076 0.000 0.971 235 R CB 0.021 30.277 30.300 -0.074 0.000 0.866 235 R HN 0.666 nan 8.270 nan 0.000 0.447 236 E N -0.203 119.976 120.200 -0.034 0.000 2.072 236 E HA -0.156 4.194 4.350 -0.001 0.000 0.190 236 E C 1.907 178.602 176.600 0.158 0.000 0.982 236 E CA 0.663 57.066 56.400 0.006 0.000 0.803 236 E CB -0.073 29.712 29.700 0.142 0.000 0.755 236 E HN 0.423 nan 8.360 nan 0.000 0.453 237 E N 1.324 121.643 120.200 0.198 0.000 2.150 237 E HA -0.190 4.160 4.350 -0.001 0.000 0.193 237 E C 1.801 178.529 176.600 0.214 0.000 0.985 237 E CA 0.809 57.374 56.400 0.276 0.000 0.814 237 E CB 0.171 29.956 29.700 0.142 0.000 0.752 237 E HN 0.219 nan 8.360 nan 0.000 0.466 238 E N 0.391 120.643 120.200 0.086 0.000 2.085 238 E HA -0.275 4.075 4.350 -0.001 0.000 0.194 238 E C 2.124 178.760 176.600 0.060 0.000 0.994 238 E CA 1.218 57.650 56.400 0.054 0.000 0.801 238 E CB -0.128 29.572 29.700 -0.000 0.000 0.743 238 E HN 0.380 nan 8.360 nan 0.000 0.453 239 Q N 0.252 120.084 119.800 0.052 0.000 2.124 239 Q HA -0.226 4.114 4.340 -0.001 0.000 0.202 239 Q C 2.081 178.131 176.000 0.083 0.000 0.977 239 Q CA 1.360 57.174 55.803 0.019 0.000 0.850 239 Q CB -0.192 28.510 28.738 -0.061 0.000 0.901 239 Q HN 0.377 nan 8.270 nan 0.000 0.429 240 Y N 1.011 121.346 120.300 0.058 0.000 2.109 240 Y HA -0.209 4.341 4.550 -0.001 0.000 0.285 240 Y C 1.927 177.869 175.900 0.071 0.000 1.131 240 Y CA 1.807 59.977 58.100 0.117 0.000 1.121 240 Y CB -0.437 38.160 38.460 0.229 0.000 0.987 240 Y HN 0.085 nan 8.280 nan 0.000 0.495 241 L N -0.458 120.806 121.223 0.069 0.000 2.042 241 L HA -0.262 4.078 4.340 -0.001 0.000 0.210 241 L C 2.548 179.355 176.870 -0.104 0.000 1.076 241 L CA 1.618 56.419 54.840 -0.064 0.000 0.749 241 L CB -0.792 41.312 42.059 0.075 0.000 0.893 241 L HN 0.190 nan 8.230 nan 0.000 0.432 242 S N -0.062 115.606 115.700 -0.053 0.000 2.382 242 S HA -0.177 4.292 4.470 -0.001 0.000 0.228 242 S C 1.828 176.378 174.600 -0.083 0.000 1.027 242 S CA 1.239 59.406 58.200 -0.056 0.000 0.991 242 S CB -0.315 62.863 63.200 -0.036 0.000 0.823 242 S HN 0.232 nan 8.310 nan 0.000 0.469 243 L N 2.066 123.224 121.223 -0.109 0.000 1.994 243 L HA -0.056 4.284 4.340 -0.001 0.000 0.208 243 L C 2.225 179.000 176.870 -0.157 0.000 1.071 243 L CA 1.626 56.392 54.840 -0.124 0.000 0.745 243 L CB -0.970 41.017 42.059 -0.120 0.000 0.892 243 L HN 0.134 nan 8.230 nan 0.000 0.431 244 V N 0.051 119.810 119.914 -0.259 0.000 2.250 244 V HA -0.381 3.738 4.120 -0.001 0.000 0.250 244 V C 2.393 178.413 176.094 -0.122 0.000 1.060 244 V CA 2.240 64.403 62.300 -0.229 0.000 1.030 244 V CB -0.962 30.669 31.823 -0.320 0.000 0.643 244 V HN 0.573 nan 8.190 nan 0.000 0.445 245 D N -0.561 119.777 120.400 -0.104 0.000 2.178 245 D HA -0.201 4.439 4.640 -0.001 0.000 0.201 245 D C 2.353 178.622 176.300 -0.051 0.000 0.980 245 D CA 1.318 55.280 54.000 -0.062 0.000 0.842 245 D CB -0.154 40.616 40.800 -0.050 0.000 0.948 245 D HN 0.274 nan 8.370 nan 0.000 0.472 246 R N -0.305 120.160 120.500 -0.059 0.000 2.092 246 R HA -0.021 4.319 4.340 -0.001 0.000 0.231 246 R C 2.370 178.645 176.300 -0.041 0.000 1.119 246 R CA 0.857 56.929 56.100 -0.046 0.000 0.970 246 R CB -0.166 30.105 30.300 -0.048 0.000 0.864 246 R HN 0.281 nan 8.270 nan 0.000 0.440 247 I N 0.610 121.150 120.570 -0.051 0.000 2.163 247 I HA -0.324 3.846 4.170 -0.001 0.000 0.243 247 I C 2.168 178.267 176.117 -0.030 0.000 1.085 247 I CA 1.439 62.715 61.300 -0.040 0.000 1.347 247 I CB -0.243 37.727 38.000 -0.049 0.000 1.044 247 I HN 0.200 nan 8.210 nan 0.000 0.408 248 I N 0.289 120.841 120.570 -0.030 0.000 2.286 248 I HA -0.273 3.897 4.170 -0.001 0.000 0.248 248 I C 2.554 178.661 176.117 -0.016 0.000 1.115 248 I CA 1.475 62.764 61.300 -0.018 0.000 1.392 248 I CB -0.395 37.598 38.000 -0.013 0.000 1.065 248 I HN 0.186 nan 8.210 nan 0.000 0.418 249 R N 0.205 120.694 120.500 -0.020 0.000 2.173 249 R HA 0.016 4.356 4.340 -0.001 0.000 0.208 249 R C 1.406 177.696 176.300 -0.015 0.000 1.035 249 R CA 0.763 56.854 56.100 -0.016 0.000 1.004 249 R CB 0.159 30.449 30.300 -0.018 0.000 0.917 249 R HN 0.388 nan 8.270 nan 0.000 0.462 250 E N -0.743 119.446 120.200 -0.017 0.000 2.606 250 E HA 0.126 4.476 4.350 -0.001 0.000 0.224 250 E C 0.281 176.873 176.600 -0.013 0.000 0.930 250 E CA -0.290 56.101 56.400 -0.014 0.000 1.125 250 E CB 1.276 30.967 29.700 -0.014 0.000 1.123 250 E HN 0.191 nan 8.360 nan 0.000 0.522 251 G N 1.323 110.113 108.800 -0.017 0.000 2.544 251 G HA2 0.069 4.028 3.960 -0.001 0.000 0.242 251 G HA3 0.069 4.028 3.960 -0.001 0.000 0.242 251 G C 0.015 174.900 174.900 -0.024 0.000 1.247 251 G CA -0.399 44.691 45.100 -0.017 0.000 0.840 251 G HN -0.008 nan 8.290 nan 0.000 0.578 252 N N -0.395 118.289 118.700 -0.027 0.000 2.530 252 N HA 0.153 4.892 4.740 -0.001 0.000 0.277 252 N C 0.079 175.546 175.510 -0.071 0.000 1.168 252 N CA -0.403 52.624 53.050 -0.038 0.000 0.979 252 N CB 1.951 40.419 38.487 -0.032 0.000 1.141 252 N HN 0.149 nan 8.380 nan 0.000 0.459 253 V N 2.675 122.543 119.914 -0.077 0.000 2.446 253 V HA 0.107 4.226 4.120 -0.001 0.000 0.276 253 V C 0.689 176.663 176.094 -0.201 0.000 1.030 253 V CA 0.257 62.471 62.300 -0.143 0.000 1.033 253 V CB -0.212 31.559 31.823 -0.087 0.000 0.993 253 V HN 0.460 nan 8.190 nan 0.000 0.477 254 K N 3.220 123.414 120.400 -0.343 0.000 2.409 254 K HA 0.672 4.991 4.320 -0.001 0.000 0.252 254 K C -1.294 174.945 176.600 -0.602 0.000 1.036 254 K CA -1.055 55.044 56.287 -0.314 0.000 0.871 254 K CB 2.493 34.877 32.500 -0.194 0.000 1.374 254 K HN 0.741 nan 8.250 nan 0.000 0.459 255 H N 0.233 119.257 119.070 -0.076 0.000 2.877 255 H HA 0.137 4.693 4.556 -0.001 0.000 0.347 255 H C -0.777 174.519 175.328 -0.053 0.000 1.042 255 H CA -0.864 55.151 56.048 -0.055 0.000 1.276 255 H CB 1.317 31.065 29.762 -0.025 0.000 1.681 255 H HN 0.588 nan 8.280 nan 0.000 0.521 256 D N 1.085 121.516 120.400 0.050 0.000 2.380 256 D HA 0.032 4.672 4.640 -0.001 0.000 0.254 256 D C 1.116 177.462 176.300 0.076 0.000 1.288 256 D CA -0.590 53.434 54.000 0.040 0.000 1.008 256 D CB 0.908 41.751 40.800 0.072 0.000 1.099 256 D HN 0.492 nan 8.370 nan 0.000 0.537 257 R N -1.224 119.320 120.500 0.073 0.000 2.103 257 R HA -0.147 4.192 4.340 -0.001 0.000 0.242 257 R C 2.182 178.521 176.300 0.065 0.000 1.142 257 R CA 2.245 58.386 56.100 0.069 0.000 0.960 257 R CB -1.073 29.276 30.300 0.083 0.000 0.858 257 R HN 0.777 nan 8.270 nan 0.000 0.439 258 T N -3.111 111.487 114.554 0.074 0.000 2.904 258 T HA 0.077 4.426 4.350 -0.001 0.000 0.267 258 T C 1.485 176.216 174.700 0.052 0.000 1.059 258 T CA 0.979 63.115 62.100 0.059 0.000 1.137 258 T CB 0.170 69.070 68.868 0.055 0.000 0.879 258 T HN 0.485 nan 8.240 nan 0.000 0.467 259 G N 0.442 109.288 108.800 0.077 0.000 2.145 259 G HA2 -0.071 3.889 3.960 -0.001 0.000 0.145 259 G HA3 -0.071 3.889 3.960 -0.001 0.000 0.145 259 G C -0.152 174.832 174.900 0.139 0.000 1.017 259 G CA -0.298 44.847 45.100 0.075 0.000 0.682 259 G HN 0.638 nan 8.290 nan 0.000 0.504 260 V N 0.792 120.807 119.914 0.168 0.000 2.607 260 V HA 0.685 4.804 4.120 -0.001 0.000 0.289 260 V C 1.438 177.663 176.094 0.217 0.000 1.053 260 V CA 0.136 62.551 62.300 0.193 0.000 0.996 260 V CB 1.542 33.477 31.823 0.188 0.000 0.995 260 V HN 0.714 nan 8.190 nan 0.000 0.476 261 G N 2.735 111.641 108.800 0.176 0.000 2.442 261 G HA2 0.524 4.483 3.960 -0.001 0.000 0.249 261 G HA3 0.524 4.483 3.960 -0.001 0.000 0.249 261 G C 0.009 174.830 174.900 -0.132 0.000 1.263 261 G CA 0.212 45.276 45.100 -0.060 0.000 0.846 261 G HN 0.935 nan 8.290 nan 0.000 0.555 262 T N -0.461 113.903 114.554 -0.317 0.000 2.909 262 T HA 0.617 4.966 4.350 -0.001 0.000 0.299 262 T C -0.425 174.139 174.700 -0.226 0.000 1.073 262 T CA -0.895 61.016 62.100 -0.316 0.000 0.999 262 T CB 1.477 70.044 68.868 -0.502 0.000 1.098 262 T HN 0.351 nan 8.240 nan 0.000 0.477 263 L N 2.824 123.967 121.223 -0.134 0.000 2.289 263 L HA 0.738 5.078 4.340 -0.001 0.000 0.285 263 L C 0.472 177.312 176.870 -0.051 0.000 1.049 263 L CA -0.652 54.138 54.840 -0.084 0.000 0.804 263 L CB 1.526 43.558 42.059 -0.045 0.000 1.195 263 L HN 1.009 nan 8.230 nan 0.000 0.428 264 S N 3.518 119.195 115.700 -0.038 0.000 2.564 264 S HA 0.862 5.331 4.470 -0.001 0.000 0.274 264 S C -0.886 173.727 174.600 0.021 0.000 1.124 264 S CA -0.753 57.455 58.200 0.012 0.000 0.869 264 S CB 2.266 65.481 63.200 0.025 0.000 1.105 264 S HN 0.499 nan 8.310 nan 0.000 0.472 265 I N -0.764 119.833 120.570 0.046 0.000 2.892 265 I HA 0.856 5.026 4.170 -0.001 0.000 0.306 265 I C -1.432 174.771 176.117 0.144 0.000 1.078 265 I CA -1.085 60.255 61.300 0.066 0.000 1.032 265 I CB 1.634 39.645 38.000 0.018 0.000 1.229 265 I HN 0.630 nan 8.210 nan 0.000 0.435 266 F N 3.931 123.861 119.950 -0.033 0.000 2.426 266 F HA 0.783 5.310 4.527 -0.001 0.000 0.348 266 F C 0.503 176.279 175.800 -0.041 0.000 1.124 266 F CA -0.303 57.677 58.000 -0.033 0.000 1.008 266 F CB 0.996 39.983 39.000 -0.021 0.000 1.139 266 F HN 1.069 nan 8.300 nan 0.000 0.452 267 G N 4.388 112.865 108.800 -0.538 0.000 3.421 267 G HA2 0.456 4.416 3.960 -0.001 0.000 0.656 267 G HA3 0.456 4.416 3.960 -0.001 0.000 0.656 267 G C -1.146 173.596 174.900 -0.263 0.000 1.007 267 G CA -0.270 44.524 45.100 -0.509 0.000 0.811 267 G HN 1.586 nan 8.290 nan 0.000 0.433 268 A N 2.581 125.257 122.820 -0.240 0.000 2.594 268 A HA 0.966 5.285 4.320 -0.001 0.000 0.291 268 A C -0.408 177.069 177.584 -0.179 0.000 1.105 268 A CA -0.220 51.714 52.037 -0.171 0.000 0.694 268 A CB 2.065 20.983 19.000 -0.136 0.000 1.291 268 A HN 1.256 nan 8.150 nan 0.000 0.410 269 Q N 0.594 120.316 119.800 -0.130 0.000 2.289 269 Q HA 0.680 5.019 4.340 -0.001 0.000 0.270 269 Q C -1.645 174.312 176.000 -0.072 0.000 1.038 269 Q CA -0.330 55.405 55.803 -0.113 0.000 0.812 269 Q CB 1.896 30.571 28.738 -0.104 0.000 1.300 269 Q HN 0.820 nan 8.270 nan 0.000 0.427 270 M N 2.529 122.116 119.600 -0.021 0.000 2.602 270 M HA 0.630 5.110 4.480 -0.001 0.000 0.312 270 M C -0.937 175.309 176.300 -0.090 0.000 1.181 270 M CA -0.720 54.547 55.300 -0.056 0.000 0.910 270 M CB 2.479 35.123 32.600 0.072 0.000 1.723 270 M HN 0.410 nan 8.290 nan 0.000 0.459 271 R N 1.228 121.534 120.500 -0.323 0.000 2.686 271 R HA 0.807 5.147 4.340 -0.001 0.000 0.286 271 R C -1.760 174.212 176.300 -0.546 0.000 0.969 271 R CA -0.599 55.355 56.100 -0.243 0.000 0.898 271 R CB 1.863 32.082 30.300 -0.136 0.000 1.183 271 R HN 0.444 nan 8.270 nan 0.000 0.456 272 F N -0.231 119.720 119.950 0.003 0.000 2.565 272 F HA 0.358 4.884 4.527 -0.001 0.000 0.313 272 F C 0.354 176.146 175.800 -0.013 0.000 1.091 272 F CA -0.890 57.107 58.000 -0.005 0.000 0.915 272 F CB 2.473 41.421 39.000 -0.088 0.000 1.208 272 F HN 0.360 nan 8.300 nan 0.000 0.453 273 S N 1.949 117.747 115.700 0.163 0.000 2.513 273 S HA 0.443 4.912 4.470 -0.001 0.000 0.276 273 S C 0.265 174.902 174.600 0.061 0.000 1.254 273 S CA -0.421 57.834 58.200 0.092 0.000 1.053 273 S CB 0.535 63.773 63.200 0.063 0.000 0.958 273 S HN 0.577 nan 8.310 nan 0.000 0.491 274 L N 4.302 125.554 121.223 0.049 0.000 2.664 274 L HA 0.374 4.714 4.340 -0.001 0.000 0.233 274 L C 1.108 178.007 176.870 0.048 0.000 1.113 274 L CA 0.422 55.275 54.840 0.021 0.000 0.896 274 L CB -0.570 41.513 42.059 0.041 0.000 1.163 274 L HN 0.622 nan 8.230 nan 0.000 0.497 275 R N 1.935 122.473 120.500 0.065 0.000 2.494 275 R HA -0.070 4.270 4.340 -0.001 0.000 0.291 275 R C 0.275 176.658 176.300 0.138 0.000 0.953 275 R CA 0.292 56.443 56.100 0.085 0.000 1.098 275 R CB -0.226 30.112 30.300 0.063 0.000 0.911 275 R HN 0.248 nan 8.270 nan 0.000 0.407 276 N N 2.595 121.378 118.700 0.139 0.000 2.754 276 N HA -0.217 4.523 4.740 -0.001 0.000 0.248 276 N C -0.853 174.817 175.510 0.266 0.000 1.093 276 N CA 1.136 54.293 53.050 0.177 0.000 0.699 276 N CB -1.124 37.462 38.487 0.166 0.000 1.016 276 N HN 0.755 nan 8.380 nan 0.000 0.552 277 N N -1.246 117.565 118.700 0.185 0.000 2.747 277 N HA -0.204 4.535 4.740 -0.001 0.000 0.249 277 N C -0.013 175.526 175.510 0.048 0.000 1.107 277 N CA 0.934 54.068 53.050 0.140 0.000 0.707 277 N CB -1.004 37.579 38.487 0.160 0.000 1.054 277 N HN 0.554 nan 8.380 nan 0.000 0.555 278 R N 0.499 120.952 120.500 -0.077 0.000 2.449 278 R HA 0.170 4.510 4.340 -0.001 0.000 0.296 278 R C -0.283 175.798 176.300 -0.366 0.000 1.047 278 R CA -0.178 55.610 56.100 -0.519 0.000 1.018 278 R CB 0.209 30.288 30.300 -0.369 0.000 0.962 278 R HN 0.154 nan 8.270 nan 0.000 0.428 279 L N 8.200 129.139 121.223 -0.473 0.000 2.276 279 L HA 0.371 4.711 4.340 -0.001 0.000 0.286 279 L C -2.078 174.411 176.870 -0.635 0.000 1.024 279 L CA -2.294 52.259 54.840 -0.479 0.000 0.826 279 L CB 1.680 43.408 42.059 -0.552 0.000 1.211 279 L HN 0.523 nan 8.230 nan 0.000 0.422 280 P HA 0.070 nan 4.420 nan 0.000 0.231 280 P C -0.644 175.983 177.300 -1.122 0.000 1.756 280 P CA 0.074 62.283 63.100 -1.486 0.000 0.990 280 P CB -0.340 30.634 31.700 -1.209 0.000 1.973 281 L N 2.430 123.165 121.223 -0.814 0.000 2.315 281 L HA 0.231 4.570 4.340 -0.001 0.000 0.283 281 L C 1.107 177.904 176.870 -0.123 0.000 1.089 281 L CA -0.782 53.720 54.840 -0.563 0.000 0.833 281 L CB 0.468 41.938 42.059 -0.982 0.000 1.170 281 L HN 0.061 nan 8.230 nan 0.000 0.442 282 L N 3.186 124.383 121.223 -0.043 0.000 2.525 282 L HA -0.019 4.321 4.340 -0.001 0.000 0.278 282 L C 1.655 178.744 176.870 0.364 0.000 1.218 282 L CA 0.100 55.058 54.840 0.198 0.000 0.878 282 L CB 0.754 42.765 42.059 -0.080 0.000 1.127 282 L HN 0.740 nan 8.230 nan 0.000 0.492 283 T N -3.696 111.075 114.554 0.360 0.000 3.009 283 T HA -0.093 4.257 4.350 -0.001 0.000 0.258 283 T C 1.529 176.409 174.700 0.299 0.000 1.063 283 T CA 0.716 62.998 62.100 0.304 0.000 1.139 283 T CB -0.248 68.763 68.868 0.237 0.000 0.890 283 T HN 0.746 nan 8.240 nan 0.000 0.471 284 T N -0.927 113.759 114.554 0.220 0.000 3.160 284 T HA 0.206 4.556 4.350 -0.001 0.000 0.257 284 T C 0.430 175.180 174.700 0.083 0.000 1.147 284 T CA 0.089 62.237 62.100 0.080 0.000 1.064 284 T CB -0.319 68.520 68.868 -0.048 0.000 0.949 284 T HN 0.567 nan 8.240 nan 0.000 0.526 285 K N 1.018 121.502 120.400 0.140 0.000 2.616 285 K HA 0.312 4.631 4.320 -0.001 0.000 0.255 285 K C -0.726 175.968 176.600 0.157 0.000 0.995 285 K CA -0.756 55.605 56.287 0.124 0.000 0.860 285 K CB 1.582 34.143 32.500 0.101 0.000 1.264 285 K HN 0.169 nan 8.250 nan 0.000 0.451 286 R N 3.307 123.894 120.500 0.145 0.000 2.502 286 R HA 0.095 4.434 4.340 -0.001 0.000 0.292 286 R C -0.946 175.515 176.300 0.268 0.000 0.998 286 R CA -0.111 56.108 56.100 0.199 0.000 1.056 286 R CB 0.437 30.806 30.300 0.116 0.000 0.939 286 R HN 0.288 nan 8.270 nan 0.000 0.411 287 V N 6.277 126.414 119.914 0.372 0.000 2.509 287 V HA 0.113 4.233 4.120 -0.001 0.000 0.284 287 V C 0.084 176.393 176.094 0.359 0.000 1.047 287 V CA -0.541 61.926 62.300 0.278 0.000 0.952 287 V CB 1.057 32.945 31.823 0.109 0.000 0.988 287 V HN 0.674 nan 8.190 nan 0.000 0.469 288 F N 5.908 125.962 119.950 0.173 0.000 2.679 288 F HA 0.116 4.642 4.527 -0.001 0.000 0.351 288 F C 0.983 176.815 175.800 0.054 0.000 1.279 288 F CA -1.059 57.032 58.000 0.153 0.000 1.227 288 F CB -0.361 38.748 39.000 0.181 0.000 1.623 288 F HN 0.809 nan 8.300 nan 0.000 0.666 289 W N 5.218 126.441 121.300 -0.129 0.000 2.318 289 W HA -0.268 4.392 4.660 -0.001 0.000 0.313 289 W C 1.861 178.087 176.519 -0.489 0.000 1.221 289 W CA 1.838 58.979 57.345 -0.339 0.000 1.266 289 W CB -0.267 29.052 29.460 -0.233 0.000 1.150 289 W HN 0.513 nan 8.180 nan 0.000 0.496 290 R N 0.378 120.493 120.500 -0.642 0.000 2.096 290 R HA -0.171 4.169 4.340 -0.001 0.000 0.240 290 R C 2.601 178.288 176.300 -1.021 0.000 1.139 290 R CA 2.409 58.064 56.100 -0.743 0.000 0.952 290 R CB -1.131 29.004 30.300 -0.274 0.000 0.854 290 R HN 0.303 nan 8.270 nan 0.000 0.436 291 G N -0.213 107.580 108.800 -1.678 0.000 2.446 291 G HA2 -0.234 3.726 3.960 -0.001 0.000 0.217 291 G HA3 -0.234 3.726 3.960 -0.001 0.000 0.217 291 G C 1.425 175.935 174.900 -0.649 0.000 1.168 291 G CA 0.987 45.431 45.100 -1.094 0.000 0.771 291 G HN 0.236 nan 8.290 nan 0.000 0.551 292 V N 0.204 119.529 119.914 -0.982 0.000 2.282 292 V HA -0.264 3.855 4.120 -0.001 0.000 0.249 292 V C 2.956 178.536 176.094 -0.857 0.000 1.057 292 V CA 1.866 63.486 62.300 -1.132 0.000 1.032 292 V CB -0.919 30.172 31.823 -1.220 0.000 0.645 292 V HN 0.593 nan 8.190 nan 0.000 0.447 293 C N 0.148 118.782 119.300 -1.109 0.000 2.473 293 C HA -0.108 4.352 4.460 -0.001 0.000 0.279 293 C C 2.879 177.581 174.990 -0.479 0.000 1.250 293 C CA 1.088 59.564 59.018 -0.902 0.000 1.713 293 C CB -0.996 26.067 27.740 -1.129 0.000 2.066 293 C HN 0.609 nan 8.230 nan 0.000 0.474 294 E N 0.493 120.426 120.200 -0.444 0.000 2.097 294 E HA -0.250 4.099 4.350 -0.001 0.000 0.196 294 E C 2.051 178.512 176.600 -0.232 0.000 1.000 294 E CA 1.503 57.737 56.400 -0.276 0.000 0.804 294 E CB -0.691 28.840 29.700 -0.281 0.000 0.740 294 E HN 0.774 nan 8.360 nan 0.000 0.454 295 E N 0.331 120.342 120.200 -0.315 0.000 2.106 295 E HA -0.157 4.193 4.350 -0.001 0.000 0.192 295 E C 2.203 178.526 176.600 -0.461 0.000 0.984 295 E CA 0.414 56.582 56.400 -0.386 0.000 0.806 295 E CB 0.026 29.540 29.700 -0.311 0.000 0.750 295 E HN 0.085 nan 8.360 nan 0.000 0.458 296 L N 0.601 121.672 121.223 -0.254 0.000 2.072 296 L HA -0.101 4.239 4.340 -0.001 0.000 0.205 296 L C 2.176 179.104 176.870 0.097 0.000 1.079 296 L CA 1.223 56.058 54.840 -0.008 0.000 0.752 296 L CB -0.176 41.890 42.059 0.012 0.000 0.906 296 L HN 0.145 nan 8.230 nan 0.000 0.436 297 L N -2.050 119.198 121.223 0.043 0.000 2.083 297 L HA -0.223 4.116 4.340 -0.001 0.000 0.209 297 L C 2.335 179.288 176.870 0.138 0.000 1.083 297 L CA 1.495 56.400 54.840 0.108 0.000 0.752 297 L CB -0.869 41.245 42.059 0.091 0.000 0.899 297 L HN 0.464 nan 8.230 nan 0.000 0.433 298 W N 0.632 121.859 121.300 -0.121 0.000 2.338 298 W HA -0.240 4.420 4.660 -0.001 0.000 0.304 298 W C 2.279 178.756 176.519 -0.070 0.000 1.212 298 W CA 1.430 58.692 57.345 -0.139 0.000 1.264 298 W CB -0.237 29.061 29.460 -0.269 0.000 1.142 298 W HN -0.019 nan 8.180 nan 0.000 0.512 299 F N 0.170 120.120 119.950 0.001 0.000 2.075 299 F HA -0.206 4.320 4.527 -0.001 0.000 0.297 299 F C 2.416 178.071 175.800 -0.241 0.000 1.113 299 F CA 1.404 59.184 58.000 -0.368 0.000 1.218 299 F CB -1.571 37.113 39.000 -0.525 0.000 0.984 299 F HN -0.176 nan 8.300 nan 0.000 0.472 300 L N -0.478 120.898 121.223 0.254 0.000 2.127 300 L HA -0.226 4.113 4.340 -0.001 0.000 0.211 300 L C 2.343 179.288 176.870 0.125 0.000 1.089 300 L CA 1.354 56.351 54.840 0.262 0.000 0.757 300 L CB -0.452 41.745 42.059 0.231 0.000 0.899 300 L HN 0.102 nan 8.230 nan 0.000 0.434 301 R N -0.400 120.134 120.500 0.057 0.000 2.323 301 R HA 0.032 4.372 4.340 -0.001 0.000 0.198 301 R C 1.244 177.532 176.300 -0.020 0.000 0.988 301 R CA 0.570 56.684 56.100 0.023 0.000 1.041 301 R CB -0.002 30.310 30.300 0.021 0.000 0.926 301 R HN 0.482 nan 8.270 nan 0.000 0.476 302 G N 1.585 110.340 108.800 -0.075 0.000 2.160 302 G HA2 -0.255 3.704 3.960 -0.001 0.000 0.251 302 G HA3 -0.255 3.704 3.960 -0.001 0.000 0.251 302 G C -0.237 174.559 174.900 -0.173 0.000 1.008 302 G CA -0.075 44.977 45.100 -0.080 0.000 0.724 302 G HN 0.284 nan 8.290 nan 0.000 0.514 303 E N 0.118 120.054 120.200 -0.439 0.000 2.398 303 E HA 0.383 4.732 4.350 -0.001 0.000 0.263 303 E C 1.260 177.381 176.600 -0.799 0.000 1.046 303 E CA 0.856 56.895 56.400 -0.601 0.000 0.908 303 E CB 0.900 30.017 29.700 -0.971 0.000 0.963 303 E HN 0.632 nan 8.360 nan 0.000 0.431 304 T N -1.702 112.658 114.554 -0.324 0.000 3.262 304 T HA 0.055 4.405 4.350 -0.001 0.000 0.300 304 T C -0.334 174.460 174.700 0.158 0.000 0.959 304 T CA -0.415 61.565 62.100 -0.201 0.000 0.936 304 T CB -0.226 68.508 68.868 -0.224 0.000 1.169 304 T HN 0.327 nan 8.240 nan 0.000 0.532 305 Y N 2.494 122.881 120.300 0.144 0.000 2.491 305 Y HA 0.733 5.282 4.550 -0.001 0.000 0.334 305 Y C 1.230 177.264 175.900 0.223 0.000 0.969 305 Y CA -2.141 56.005 58.100 0.075 0.000 1.241 305 Y CB 0.749 39.190 38.460 -0.032 0.000 1.105 305 Y HN 0.223 nan 8.280 nan 0.000 0.503 306 A N 4.822 127.617 122.820 -0.042 0.000 2.070 306 A HA -0.156 4.164 4.320 -0.001 0.000 0.220 306 A C 2.263 179.600 177.584 -0.412 0.000 1.159 306 A CA 1.497 53.366 52.037 -0.281 0.000 0.656 306 A CB -0.344 18.540 19.000 -0.193 0.000 0.800 306 A HN 0.770 nan 8.150 nan 0.000 0.453 307 K N 0.164 120.150 120.400 -0.689 0.000 2.209 307 K HA -0.131 4.189 4.320 -0.001 0.000 0.204 307 K C 1.723 178.094 176.600 -0.382 0.000 1.048 307 K CA 1.382 57.298 56.287 -0.618 0.000 0.940 307 K CB -0.143 31.789 32.500 -0.946 0.000 0.729 307 K HN 0.473 nan 8.250 nan 0.000 0.451 308 K N 0.127 120.354 120.400 -0.288 0.000 2.209 308 K HA -0.151 4.169 4.320 -0.001 0.000 0.204 308 K C 1.831 178.328 176.600 -0.172 0.000 1.048 308 K CA 0.845 57.095 56.287 -0.061 0.000 0.940 308 K CB 0.029 32.657 32.500 0.214 0.000 0.729 308 K HN 0.083 nan 8.250 nan 0.000 0.451 309 L N 0.175 121.181 121.223 -0.362 0.000 2.221 309 L HA -0.039 4.300 4.340 -0.001 0.000 0.202 309 L C 2.161 178.823 176.870 -0.346 0.000 1.074 309 L CA 1.362 55.931 54.840 -0.452 0.000 0.795 309 L CB -0.150 41.452 42.059 -0.761 0.000 0.960 309 L HN 0.070 nan 8.230 nan 0.000 0.458 310 S N -1.946 113.562 115.700 -0.321 0.000 2.461 310 S HA -0.087 4.382 4.470 -0.001 0.000 0.228 310 S C 1.469 175.903 174.600 -0.276 0.000 1.005 310 S CA 0.766 58.752 58.200 -0.356 0.000 0.942 310 S CB -0.392 62.724 63.200 -0.139 0.000 0.776 310 S HN 0.353 nan 8.310 nan 0.000 0.514 311 D N 2.176 122.469 120.400 -0.178 0.000 2.224 311 D HA 0.025 4.665 4.640 -0.001 0.000 0.205 311 D C 1.217 177.458 176.300 -0.097 0.000 0.965 311 D CA 0.870 54.810 54.000 -0.100 0.000 0.852 311 D CB -0.127 40.635 40.800 -0.064 0.000 0.947 311 D HN 0.526 nan 8.370 nan 0.000 0.494 312 K N 0.168 120.487 120.400 -0.135 0.000 2.551 312 K HA 0.237 4.557 4.320 -0.001 0.000 0.204 312 K C 0.813 177.341 176.600 -0.121 0.000 1.033 312 K CA 0.185 56.408 56.287 -0.106 0.000 1.187 312 K CB 0.468 32.904 32.500 -0.107 0.000 0.900 312 K HN 0.035 nan 8.250 nan 0.000 0.499 313 G N 1.211 109.897 108.800 -0.190 0.000 2.221 313 G HA2 -0.238 3.722 3.960 -0.001 0.000 0.265 313 G HA3 -0.238 3.722 3.960 -0.001 0.000 0.265 313 G C -0.084 174.672 174.900 -0.240 0.000 1.041 313 G CA 0.005 44.981 45.100 -0.206 0.000 0.807 313 G HN 0.193 nan 8.290 nan 0.000 0.502 314 V N 0.174 119.864 119.914 -0.373 0.000 2.325 314 V HA 0.409 4.529 4.120 -0.001 0.000 0.280 314 V C 0.441 176.361 176.094 -0.290 0.000 1.016 314 V CA -0.640 61.559 62.300 -0.170 0.000 0.818 314 V CB 1.148 32.895 31.823 -0.127 0.000 1.019 314 V HN 0.457 nan 8.190 nan 0.000 0.434 315 H N 4.016 123.097 119.070 0.019 0.000 2.507 315 H HA 0.241 4.796 4.556 -0.001 0.000 0.294 315 H C 1.870 177.162 175.328 -0.060 0.000 1.064 315 H CA 0.002 56.030 56.048 -0.033 0.000 1.138 315 H CB 0.288 30.024 29.762 -0.044 0.000 1.515 315 H HN 0.781 nan 8.280 nan 0.000 0.547 316 I N -2.746 117.820 120.570 -0.007 0.000 2.454 316 I HA -0.164 4.006 4.170 -0.001 0.000 0.254 316 I C 1.002 176.954 176.117 -0.276 0.000 1.156 316 I CA 1.361 62.557 61.300 -0.172 0.000 1.433 316 I CB -0.108 37.712 38.000 -0.300 0.000 1.082 316 I HN 0.170 nan 8.210 nan 0.000 0.432 317 W N 1.698 122.904 121.300 -0.155 0.000 3.316 317 W HA 0.144 4.804 4.660 -0.000 0.000 0.327 317 W C 1.577 178.019 176.519 -0.129 0.000 1.232 317 W CA -0.256 57.000 57.345 -0.149 0.000 1.805 317 W CB -0.028 29.311 29.460 -0.202 0.000 1.090 317 W HN 0.101 nan 8.180 nan 0.000 0.654 318 D N 0.597 121.035 120.400 0.063 0.000 2.092 318 D HA -0.215 4.425 4.640 -0.001 0.000 0.193 318 D C 1.692 177.984 176.300 -0.012 0.000 0.994 318 D CA 1.784 55.807 54.000 0.039 0.000 0.828 318 D CB -0.319 40.503 40.800 0.038 0.000 0.963 318 D HN 0.036 nan 8.370 nan 0.000 0.450 319 D N 0.330 120.682 120.400 -0.081 0.000 2.123 319 D HA -0.123 4.517 4.640 -0.001 0.000 0.196 319 D C 1.488 177.609 176.300 -0.298 0.000 0.992 319 D CA 0.752 54.667 54.000 -0.141 0.000 0.833 319 D CB -0.397 40.299 40.800 -0.174 0.000 0.954 319 D HN 0.243 nan 8.370 nan 0.000 0.455 320 N N 0.197 118.665 118.700 -0.386 0.000 2.550 320 N HA -0.039 4.701 4.740 -0.001 0.000 0.186 320 N C 1.658 177.130 175.510 -0.062 0.000 1.110 320 N CA 0.650 53.327 53.050 -0.621 0.000 0.912 320 N CB 0.266 38.615 38.487 -0.229 0.000 0.968 320 N HN 0.226 nan 8.380 nan 0.000 0.448 321 G N 0.057 108.899 108.800 0.069 0.000 2.939 321 G HA2 -0.019 3.940 3.960 -0.001 0.000 0.216 321 G HA3 -0.019 3.940 3.960 -0.001 0.000 0.216 321 G C 0.501 175.502 174.900 0.168 0.000 1.125 321 G CA -0.123 45.071 45.100 0.156 0.000 0.766 321 G HN 0.293 nan 8.290 nan 0.000 0.541 322 S N 0.057 115.847 115.700 0.151 0.000 2.576 322 S HA 0.208 4.678 4.470 -0.001 0.000 0.272 322 S C 1.426 176.140 174.600 0.189 0.000 1.352 322 S CA -0.201 58.088 58.200 0.148 0.000 1.021 322 S CB 1.870 65.142 63.200 0.120 0.000 0.887 322 S HN 0.181 nan 8.310 nan 0.000 0.542 323 R N 1.892 122.477 120.500 0.142 0.000 2.096 323 R HA -0.128 4.211 4.340 -0.001 0.000 0.240 323 R C 2.390 178.763 176.300 0.121 0.000 1.139 323 R CA 2.197 58.373 56.100 0.126 0.000 0.952 323 R CB -1.457 28.898 30.300 0.092 0.000 0.854 323 R HN 0.870 nan 8.270 nan 0.000 0.436 324 A N -0.475 122.417 122.820 0.121 0.000 1.865 324 A HA -0.182 4.138 4.320 -0.001 0.000 0.217 324 A C 2.249 179.912 177.584 0.132 0.000 1.191 324 A CA 1.635 53.737 52.037 0.107 0.000 0.623 324 A CB -0.960 18.102 19.000 0.104 0.000 0.826 324 A HN 0.507 nan 8.150 nan 0.000 0.444 325 F N 0.276 120.259 119.950 0.055 0.000 2.146 325 F HA -0.058 4.469 4.527 -0.001 0.000 0.298 325 F C 1.943 177.784 175.800 0.070 0.000 1.096 325 F CA 1.520 59.557 58.000 0.062 0.000 1.275 325 F CB -0.151 38.896 39.000 0.078 0.000 1.008 325 F HN 0.125 nan 8.300 nan 0.000 0.480 326 L N -0.160 121.216 121.223 0.255 0.000 2.083 326 L HA -0.219 4.121 4.340 -0.001 0.000 0.209 326 L C 2.055 178.924 176.870 -0.001 0.000 1.083 326 L CA 1.244 56.181 54.840 0.163 0.000 0.752 326 L CB -0.772 41.434 42.059 0.244 0.000 0.899 326 L HN 0.089 nan 8.230 nan 0.000 0.433 327 D N -0.406 119.994 120.400 0.000 0.000 2.144 327 D HA -0.154 4.486 4.640 -0.001 0.000 0.199 327 D C 2.398 178.641 176.300 -0.094 0.000 0.984 327 D CA 1.724 55.700 54.000 -0.039 0.000 0.834 327 D CB -0.056 40.739 40.800 -0.008 0.000 0.955 327 D HN 0.351 nan 8.370 nan 0.000 0.465 328 S N 0.358 115.969 115.700 -0.148 0.000 2.383 328 S HA -0.085 4.385 4.470 -0.001 0.000 0.227 328 S C 1.756 176.209 174.600 -0.245 0.000 1.026 328 S CA 0.509 58.589 58.200 -0.200 0.000 0.981 328 S CB -0.093 62.955 63.200 -0.253 0.000 0.818 328 S HN 0.044 nan 8.310 nan 0.000 0.472 329 R N 1.253 121.561 120.500 -0.319 0.000 2.323 329 R HA 0.176 4.515 4.340 -0.001 0.000 0.198 329 R C 1.690 177.900 176.300 -0.149 0.000 0.988 329 R CA 0.647 56.603 56.100 -0.240 0.000 1.041 329 R CB -1.009 29.151 30.300 -0.233 0.000 0.926 329 R HN 0.738 nan 8.270 nan 0.000 0.476 330 G N 0.735 109.452 108.800 -0.138 0.000 2.179 330 G HA2 -0.257 3.703 3.960 -0.001 0.000 0.260 330 G HA3 -0.257 3.703 3.960 -0.001 0.000 0.260 330 G C 0.268 175.075 174.900 -0.155 0.000 0.977 330 G CA -0.016 45.011 45.100 -0.121 0.000 0.641 330 G HN 0.329 nan 8.290 nan 0.000 0.533 331 L N 2.485 123.600 121.223 -0.181 0.000 2.583 331 L HA 0.286 4.626 4.340 -0.001 0.000 0.239 331 L C 2.124 178.848 176.870 -0.244 0.000 1.347 331 L CA 0.333 54.973 54.840 -0.334 0.000 1.246 331 L CB -0.185 41.662 42.059 -0.355 0.000 1.496 331 L HN 0.341 nan 8.230 nan 0.000 0.413 332 T N -4.446 110.006 114.554 -0.169 0.000 3.007 332 T HA -0.064 4.286 4.350 -0.001 0.000 0.270 332 T C 1.409 176.086 174.700 -0.038 0.000 1.107 332 T CA 0.628 62.684 62.100 -0.074 0.000 1.118 332 T CB 0.105 68.939 68.868 -0.055 0.000 0.889 332 T HN 0.324 nan 8.240 nan 0.000 0.506 333 E N 0.337 120.476 120.200 -0.103 0.000 2.190 333 E HA 0.114 4.463 4.350 -0.001 0.000 0.191 333 E C -0.170 176.606 176.600 0.294 0.000 0.978 333 E CA 0.206 56.630 56.400 0.040 0.000 0.839 333 E CB -0.170 29.516 29.700 -0.024 0.000 0.787 333 E HN 0.578 nan 8.360 nan 0.000 0.473 334 Y N 2.699 123.120 120.300 0.201 0.000 2.511 334 Y HA 0.037 4.587 4.550 -0.001 0.000 0.332 334 Y C 1.307 177.345 175.900 0.230 0.000 1.177 334 Y CA -1.047 57.220 58.100 0.279 0.000 1.422 334 Y CB -0.175 38.414 38.460 0.215 0.000 1.271 334 Y HN 0.003 nan 8.280 nan 0.000 0.550 335 E N 1.172 121.615 120.200 0.405 0.000 2.371 335 E HA 0.146 4.496 4.350 -0.001 0.000 0.257 335 E C -0.653 176.105 176.600 0.264 0.000 1.134 335 E CA -0.863 55.691 56.400 0.257 0.000 0.919 335 E CB 0.664 30.476 29.700 0.186 0.000 1.025 335 E HN 0.646 nan 8.360 nan 0.000 0.438 336 E N 1.012 121.336 120.200 0.207 0.000 2.465 336 E HA -0.128 4.222 4.350 -0.001 0.000 0.260 336 E C -0.076 176.637 176.600 0.188 0.000 0.980 336 E CA 0.386 56.895 56.400 0.181 0.000 0.927 336 E CB 0.193 29.970 29.700 0.130 0.000 0.934 336 E HN 0.605 nan 8.360 nan 0.000 0.459 337 M N 1.111 120.798 119.600 0.144 0.000 2.979 337 M HA -0.219 4.260 4.480 -0.001 0.000 0.202 337 M C -0.390 175.994 176.300 0.139 0.000 0.602 337 M CA 0.711 56.042 55.300 0.052 0.000 0.774 337 M CB -1.990 30.494 32.600 -0.192 0.000 2.769 337 M HN 0.590 nan 8.290 nan 0.000 0.294 338 D N 1.942 122.481 120.400 0.232 0.000 2.344 338 D HA 0.400 5.040 4.640 -0.001 0.000 0.253 338 D C 0.883 177.203 176.300 0.033 0.000 1.255 338 D CA 0.036 54.136 54.000 0.166 0.000 0.894 338 D CB 0.400 41.329 40.800 0.216 0.000 1.067 338 D HN 0.460 nan 8.370 nan 0.000 0.492 339 L N 3.176 124.362 121.223 -0.062 0.000 2.592 339 L HA 0.249 4.588 4.340 -0.001 0.000 0.227 339 L C 1.508 178.200 176.870 -0.296 0.000 1.127 339 L CA 0.136 54.917 54.840 -0.098 0.000 0.884 339 L CB -0.577 41.385 42.059 -0.162 0.000 1.065 339 L HN 0.622 nan 8.230 nan 0.000 0.457 340 G N 1.222 109.588 108.800 -0.723 0.000 2.782 340 G HA2 -0.206 3.754 3.960 -0.001 0.000 0.228 340 G HA3 -0.206 3.754 3.960 -0.001 0.000 0.228 340 G C -2.425 171.653 174.900 -1.369 0.000 1.372 340 G CA -0.565 43.821 45.100 -1.191 0.000 0.862 340 G HN 0.062 nan 8.290 nan 0.000 0.547 341 P HA 0.262 nan 4.420 nan 0.000 0.246 341 P C 0.832 177.794 177.300 -0.564 0.000 1.675 341 P CA 0.678 62.978 63.100 -1.334 0.000 0.908 341 P CB -0.726 30.320 31.700 -1.090 0.000 1.890 342 V N -2.967 116.660 119.914 -0.480 0.000 3.170 342 V HA 0.197 4.316 4.120 -0.001 0.000 0.309 342 V C 1.342 177.292 176.094 -0.240 0.000 1.071 342 V CA -0.589 61.508 62.300 -0.338 0.000 1.063 342 V CB -0.365 31.284 31.823 -0.290 0.000 1.123 342 V HN 0.133 nan 8.190 nan 0.000 0.464 343 Y N 2.503 122.671 120.300 -0.220 0.000 1.614 343 Y HA -0.418 4.131 4.550 -0.001 0.000 0.187 343 Y C 2.502 177.886 175.900 -0.861 0.000 0.716 343 Y CA 3.033 60.808 58.100 -0.543 0.000 1.184 343 Y CB -2.124 35.846 38.460 -0.816 0.000 0.585 343 Y HN 0.842 nan 8.280 nan 0.000 0.762 344 G N -1.555 106.826 108.800 -0.698 0.000 2.469 344 G HA2 -0.303 3.656 3.960 -0.001 0.000 0.220 344 G HA3 -0.303 3.656 3.960 -0.001 0.000 0.220 344 G C 1.500 176.286 174.900 -0.191 0.000 1.136 344 G CA 1.073 45.803 45.100 -0.616 0.000 0.759 344 G HN 0.484 nan 8.290 nan 0.000 0.562 345 F N 1.082 120.873 119.950 -0.264 0.000 2.126 345 F HA -0.111 4.416 4.527 -0.001 0.000 0.299 345 F C 2.921 178.727 175.800 0.010 0.000 1.096 345 F CA 1.882 59.805 58.000 -0.128 0.000 1.255 345 F CB 0.100 38.923 39.000 -0.295 0.000 0.997 345 F HN 0.087 nan 8.300 nan 0.000 0.479 346 Q N -0.598 119.317 119.800 0.192 0.000 2.123 346 Q HA -0.186 4.154 4.340 -0.001 0.000 0.199 346 Q C 2.093 178.357 176.000 0.440 0.000 0.966 346 Q CA 1.427 57.405 55.803 0.291 0.000 0.845 346 Q CB -0.929 28.010 28.738 0.334 0.000 0.907 346 Q HN 0.521 nan 8.270 nan 0.000 0.439 347 W N 1.397 122.780 121.300 0.137 0.000 2.338 347 W HA -0.132 4.528 4.660 -0.001 0.000 0.304 347 W C 1.988 178.460 176.519 -0.079 0.000 1.212 347 W CA 0.858 58.236 57.345 0.053 0.000 1.264 347 W CB -0.415 29.008 29.460 -0.061 0.000 1.142 347 W HN 0.159 nan 8.180 nan 0.000 0.512 348 R N -1.703 118.824 120.500 0.045 0.000 2.282 348 R HA 0.087 4.427 4.340 -0.001 0.000 0.195 348 R C 0.232 176.121 176.300 -0.684 0.000 0.909 348 R CA 0.652 56.569 56.100 -0.304 0.000 1.039 348 R CB -0.487 29.581 30.300 -0.386 0.000 1.015 348 R HN 0.323 nan 8.270 nan 0.000 0.513 349 H N -0.776 118.145 119.070 -0.248 0.000 2.901 349 H HA 0.128 4.684 4.556 -0.001 0.000 0.227 349 H C -0.799 174.402 175.328 -0.211 0.000 1.390 349 H CA -0.829 54.990 56.048 -0.380 0.000 1.120 349 H CB -0.337 28.843 29.762 -0.970 0.000 2.131 349 H HN -0.065 nan 8.280 nan 0.000 0.549 350 F N 2.174 122.113 119.950 -0.019 0.000 2.593 350 F HA 0.224 4.751 4.527 -0.001 0.000 0.393 350 F C 1.435 177.290 175.800 0.092 0.000 1.037 350 F CA 2.008 60.054 58.000 0.076 0.000 1.195 350 F CB 0.326 39.390 39.000 0.106 0.000 1.034 350 F HN 0.615 nan 8.300 nan 0.000 0.552 351 G N 3.499 112.061 108.800 -0.397 0.000 2.195 351 G HA2 -0.160 3.799 3.960 -0.001 0.000 0.246 351 G HA3 -0.160 3.799 3.960 -0.001 0.000 0.246 351 G C 0.281 175.198 174.900 0.029 0.000 0.984 351 G CA -0.098 44.874 45.100 -0.214 0.000 0.633 351 G HN 1.372 nan 8.290 nan 0.000 0.525 352 A N 0.529 123.421 122.820 0.120 0.000 2.477 352 A HA 0.735 5.054 4.320 -0.001 0.000 0.246 352 A C 1.106 178.871 177.584 0.301 0.000 1.078 352 A CA 1.077 53.244 52.037 0.216 0.000 0.770 352 A CB 0.280 19.398 19.000 0.196 0.000 1.011 352 A HN 2.144 nan 8.150 nan 0.000 0.494 353 A N 2.109 125.064 122.820 0.226 0.000 2.520 353 A HA 0.411 4.730 4.320 -0.001 0.000 0.245 353 A C -0.266 177.492 177.584 0.291 0.000 1.072 353 A CA 0.261 52.411 52.037 0.188 0.000 0.761 353 A CB -0.248 18.821 19.000 0.116 0.000 1.004 353 A HN 0.982 nan 8.150 nan 0.000 0.499 354 Y N 1.997 122.305 120.300 0.013 0.000 2.387 354 Y HA 0.468 5.018 4.550 -0.001 0.000 0.330 354 Y C 1.320 177.208 175.900 -0.021 0.000 1.133 354 Y CA 0.527 58.572 58.100 -0.092 0.000 1.152 354 Y CB 1.885 40.047 38.460 -0.498 0.000 1.215 354 Y HN 0.852 nan 8.280 nan 0.000 0.466 355 T N 0.046 114.269 114.554 -0.552 0.000 3.361 355 T HA 0.343 4.692 4.350 -0.001 0.000 0.241 355 T C -0.307 173.850 174.700 -0.905 0.000 0.998 355 T CA 0.037 61.845 62.100 -0.487 0.000 1.215 355 T CB 0.125 68.828 68.868 -0.274 0.000 1.196 355 T HN 0.566 nan 8.240 nan 0.000 0.376 356 H N 0.246 118.937 119.070 -0.631 0.000 2.985 356 H HA 0.387 4.942 4.556 -0.001 0.000 0.360 356 H C 0.853 175.915 175.328 -0.442 0.000 1.221 356 H CA 0.072 55.834 56.048 -0.477 0.000 1.121 356 H CB 1.714 31.317 29.762 -0.266 0.000 1.854 356 H HN 0.637 nan 8.280 nan 0.000 0.551 357 H N -0.031 119.008 119.070 -0.052 0.000 2.387 357 H HA -0.124 4.432 4.556 -0.001 0.000 0.299 357 H C 0.774 176.092 175.328 -0.017 0.000 1.090 357 H CA 1.909 57.964 56.048 0.011 0.000 1.332 357 H CB 0.132 29.862 29.762 -0.054 0.000 1.386 357 H HN 0.484 nan 8.280 nan 0.000 0.516 358 D N 1.164 121.064 120.400 -0.833 0.000 2.349 358 D HA 0.121 4.760 4.640 -0.001 0.000 0.224 358 D C 0.783 176.894 176.300 -0.314 0.000 1.029 358 D CA 0.423 54.089 54.000 -0.557 0.000 0.879 358 D CB -0.370 40.012 40.800 -0.698 0.000 0.906 358 D HN 0.606 nan 8.370 nan 0.000 0.528 359 A N 0.607 123.248 122.820 -0.299 0.000 2.351 359 A HA 0.234 4.554 4.320 -0.001 0.000 0.257 359 A C 0.347 177.608 177.584 -0.537 0.000 1.087 359 A CA -0.543 51.224 52.037 -0.450 0.000 0.798 359 A CB 0.295 18.912 19.000 -0.639 0.000 1.033 359 A HN 0.118 nan 8.150 nan 0.000 0.488 360 N N 0.365 118.752 118.700 -0.522 0.000 2.470 360 N HA 0.189 4.929 4.740 -0.001 0.000 0.268 360 N C -0.954 174.194 175.510 -0.602 0.000 1.136 360 N CA 0.370 53.170 53.050 -0.416 0.000 0.961 360 N CB 0.211 38.529 38.487 -0.283 0.000 1.067 360 N HN 0.545 nan 8.380 nan 0.000 0.468 361 Y N 0.290 120.432 120.300 -0.262 0.000 2.641 361 Y HA 0.250 4.799 4.550 -0.001 0.000 0.248 361 Y C -0.152 175.560 175.900 -0.312 0.000 1.170 361 Y CA -0.742 57.148 58.100 -0.350 0.000 1.201 361 Y CB 0.308 38.386 38.460 -0.637 0.000 1.232 361 Y HN 0.373 nan 8.280 nan 0.000 0.537 362 D N 0.588 120.828 120.400 -0.268 0.000 2.533 362 D HA 0.187 4.826 4.640 -0.001 0.000 0.236 362 D C 1.480 177.548 176.300 -0.387 0.000 1.137 362 D CA 1.988 55.614 54.000 -0.622 0.000 0.867 362 D CB 0.950 40.999 40.800 -1.251 0.000 1.170 362 D HN 0.563 nan 8.370 nan 0.000 0.474 363 G N 2.555 111.239 108.800 -0.193 0.000 2.284 363 G HA2 -0.331 3.629 3.960 -0.001 0.000 0.261 363 G HA3 -0.331 3.629 3.960 -0.001 0.000 0.261 363 G C 0.378 175.354 174.900 0.127 0.000 0.997 363 G CA 0.221 45.410 45.100 0.147 0.000 0.621 363 G HN 0.570 nan 8.290 nan 0.000 0.534 364 Q N 0.409 120.282 119.800 0.123 0.000 2.293 364 Q HA 0.476 4.816 4.340 -0.001 0.000 0.251 364 Q C 1.032 177.144 176.000 0.187 0.000 0.930 364 Q CA 0.406 56.298 55.803 0.147 0.000 0.893 364 Q CB 1.260 30.083 28.738 0.142 0.000 1.215 364 Q HN 1.575 nan 8.270 nan 0.000 0.425 365 G N 0.322 109.207 108.800 0.142 0.000 2.593 365 G HA2 -0.240 3.719 3.960 -0.001 0.000 0.237 365 G HA3 -0.240 3.719 3.960 -0.001 0.000 0.237 365 G C -0.872 174.107 174.900 0.133 0.000 1.312 365 G CA -0.541 44.641 45.100 0.138 0.000 0.896 365 G HN 0.543 nan 8.290 nan 0.000 0.574 366 V N 0.977 120.987 119.914 0.159 0.000 2.417 366 V HA 0.494 4.614 4.120 -0.001 0.000 0.291 366 V C -0.232 175.892 176.094 0.050 0.000 1.024 366 V CA -0.172 62.201 62.300 0.121 0.000 0.861 366 V CB 1.760 33.675 31.823 0.154 0.000 0.985 366 V HN 0.754 nan 8.190 nan 0.000 0.436 367 D N 3.691 124.088 120.400 -0.005 0.000 2.517 367 D HA 0.170 4.810 4.640 -0.001 0.000 0.220 367 D C 1.262 177.550 176.300 -0.020 0.000 1.158 367 D CA 0.091 54.054 54.000 -0.060 0.000 0.992 367 D CB 0.840 41.599 40.800 -0.068 0.000 1.058 367 D HN 0.605 nan 8.370 nan 0.000 0.516 368 Q N 1.821 121.629 119.800 0.013 0.000 2.112 368 Q HA -0.172 4.168 4.340 -0.001 0.000 0.206 368 Q C 1.763 177.741 176.000 -0.037 0.000 0.987 368 Q CA 0.965 56.784 55.803 0.026 0.000 0.858 368 Q CB 0.341 29.144 28.738 0.109 0.000 0.905 368 Q HN 0.547 nan 8.270 nan 0.000 0.420 369 I N 1.164 121.660 120.570 -0.122 0.000 2.179 369 I HA -0.251 3.919 4.170 -0.001 0.000 0.242 369 I C 2.315 178.367 176.117 -0.109 0.000 1.088 369 I CA 1.454 62.641 61.300 -0.189 0.000 1.357 369 I CB -1.007 36.866 38.000 -0.212 0.000 1.051 369 I HN 0.240 nan 8.210 nan 0.000 0.409 370 K N 0.947 121.307 120.400 -0.066 0.000 2.097 370 K HA -0.155 4.165 4.320 -0.001 0.000 0.206 370 K C 2.170 178.748 176.600 -0.037 0.000 1.049 370 K CA 1.519 57.783 56.287 -0.039 0.000 0.933 370 K CB 0.066 32.557 32.500 -0.014 0.000 0.717 370 K HN 0.270 nan 8.250 nan 0.000 0.442 371 A N 1.228 124.032 122.820 -0.028 0.000 1.898 371 A HA -0.107 4.212 4.320 -0.001 0.000 0.216 371 A C 2.051 179.619 177.584 -0.027 0.000 1.181 371 A CA 1.154 53.181 52.037 -0.017 0.000 0.620 371 A CB -0.450 18.550 19.000 -0.001 0.000 0.819 371 A HN 0.290 nan 8.150 nan 0.000 0.442 372 I N -0.391 120.159 120.570 -0.035 0.000 2.179 372 I HA -0.230 3.939 4.170 -0.001 0.000 0.242 372 I C 2.378 178.422 176.117 -0.121 0.000 1.088 372 I CA 1.208 62.476 61.300 -0.054 0.000 1.357 372 I CB -0.315 37.667 38.000 -0.031 0.000 1.051 372 I HN 0.156 nan 8.210 nan 0.000 0.409 373 V N 0.628 120.459 119.914 -0.138 0.000 2.287 373 V HA -0.312 3.808 4.120 -0.001 0.000 0.248 373 V C 2.508 178.548 176.094 -0.090 0.000 1.053 373 V CA 2.171 64.389 62.300 -0.136 0.000 1.027 373 V CB -0.626 31.133 31.823 -0.107 0.000 0.646 373 V HN 0.410 nan 8.190 nan 0.000 0.447 374 E N 0.425 120.588 120.200 -0.063 0.000 2.058 374 E HA -0.188 4.162 4.350 -0.001 0.000 0.194 374 E C 2.257 178.832 176.600 -0.042 0.000 0.997 374 E CA 2.208 58.582 56.400 -0.044 0.000 0.801 374 E CB -0.558 29.125 29.700 -0.029 0.000 0.746 374 E HN 0.642 nan 8.360 nan 0.000 0.450 375 T N 0.795 115.325 114.554 -0.040 0.000 2.737 375 T HA -0.096 4.254 4.350 -0.001 0.000 0.265 375 T C 1.955 176.630 174.700 -0.042 0.000 1.038 375 T CA 1.256 63.337 62.100 -0.031 0.000 1.144 375 T CB -0.338 68.520 68.868 -0.017 0.000 0.866 375 T HN 0.098 nan 8.240 nan 0.000 0.434 376 L N 0.591 121.777 121.223 -0.062 0.000 2.043 376 L HA -0.173 4.166 4.340 -0.001 0.000 0.212 376 L C 2.712 179.547 176.870 -0.059 0.000 1.075 376 L CA 1.529 56.327 54.840 -0.070 0.000 0.752 376 L CB -0.496 41.494 42.059 -0.115 0.000 0.891 376 L HN 0.211 nan 8.230 nan 0.000 0.432 377 K N -0.849 119.516 120.400 -0.058 0.000 2.147 377 K HA -0.149 4.171 4.320 -0.001 0.000 0.205 377 K C 2.071 178.648 176.600 -0.038 0.000 1.049 377 K CA 1.933 58.192 56.287 -0.048 0.000 0.936 377 K CB -0.123 32.349 32.500 -0.047 0.000 0.722 377 K HN 0.552 nan 8.250 nan 0.000 0.446 378 T N -3.210 111.323 114.554 -0.035 0.000 3.038 378 T HA 0.009 4.359 4.350 -0.001 0.000 0.244 378 T C 0.677 175.361 174.700 -0.028 0.000 1.016 378 T CA -0.050 62.033 62.100 -0.029 0.000 1.098 378 T CB 0.101 68.954 68.868 -0.024 0.000 0.954 378 T HN 0.058 nan 8.240 nan 0.000 0.469 379 N N 1.596 120.279 118.700 -0.030 0.000 2.675 379 N HA 0.278 5.018 4.740 -0.001 0.000 0.254 379 N C -2.734 172.753 175.510 -0.037 0.000 1.224 379 N CA -1.513 51.519 53.050 -0.030 0.000 0.777 379 N CB 2.007 40.481 38.487 -0.022 0.000 1.256 379 N HN 0.023 nan 8.380 nan 0.000 0.531 380 P HA 0.165 nan 4.420 nan 0.000 0.245 380 P C 0.044 177.284 177.300 -0.100 0.000 1.206 380 P CA 0.453 63.514 63.100 -0.066 0.000 0.781 380 P CB 0.416 32.074 31.700 -0.069 0.000 0.994 381 D N -0.441 119.908 120.400 -0.086 0.000 2.328 381 D HA 0.008 4.647 4.640 -0.001 0.000 0.226 381 D C 0.206 176.471 176.300 -0.059 0.000 1.066 381 D CA 0.293 54.234 54.000 -0.099 0.000 0.861 381 D CB -0.572 40.186 40.800 -0.069 0.000 0.912 381 D HN 0.200 nan 8.370 nan 0.000 0.521 382 D N -0.240 120.138 120.400 -0.037 0.000 2.382 382 D HA 0.085 4.724 4.640 -0.001 0.000 0.240 382 D C 0.750 177.059 176.300 0.015 0.000 1.146 382 D CA 0.134 54.130 54.000 -0.007 0.000 0.897 382 D CB 0.699 41.499 40.800 0.001 0.000 1.197 382 D HN -0.128 nan 8.370 nan 0.000 0.432 383 R N 1.972 122.489 120.500 0.028 0.000 2.629 383 R HA 0.251 4.591 4.340 -0.001 0.000 0.386 383 R C 0.341 176.667 176.300 0.044 0.000 1.071 383 R CA -0.065 56.064 56.100 0.049 0.000 1.104 383 R CB 0.632 30.959 30.300 0.045 0.000 1.370 383 R HN 0.281 nan 8.270 nan 0.000 0.574 384 R N 0.096 120.621 120.500 0.042 0.000 2.629 384 R HA 0.308 4.647 4.340 -0.001 0.000 0.408 384 R C 0.079 176.414 176.300 0.059 0.000 1.057 384 R CA -0.158 55.964 56.100 0.036 0.000 1.119 384 R CB 0.665 30.977 30.300 0.020 0.000 1.403 384 R HN -0.004 nan 8.270 nan 0.000 0.576 385 M N 2.570 122.227 119.600 0.096 0.000 3.586 385 M HA 0.204 4.684 4.480 -0.001 0.000 0.225 385 M C -0.925 175.518 176.300 0.238 0.000 1.428 385 M CA -0.105 55.289 55.300 0.158 0.000 1.613 385 M CB -0.108 32.598 32.600 0.176 0.000 1.063 385 M HN 0.068 nan 8.290 nan 0.000 0.593 386 L N -0.582 120.740 121.223 0.165 0.000 2.422 386 L HA 0.883 5.223 4.340 -0.001 0.000 0.264 386 L C -1.046 175.906 176.870 0.137 0.000 0.984 386 L CA -0.945 53.963 54.840 0.113 0.000 0.819 386 L CB 1.331 43.384 42.059 -0.011 0.000 1.330 386 L HN 0.252 nan 8.230 nan 0.000 0.410 387 F N -0.778 119.181 119.950 0.015 0.000 2.495 387 F HA 0.900 5.426 4.527 -0.001 0.000 0.327 387 F C -0.155 175.651 175.800 0.010 0.000 1.103 387 F CA -0.697 57.288 58.000 -0.025 0.000 0.949 387 F CB 1.809 40.752 39.000 -0.095 0.000 1.142 387 F HN 0.722 nan 8.300 nan 0.000 0.457 388 T N 1.537 116.201 114.554 0.183 0.000 2.885 388 T HA 0.683 5.033 4.350 -0.001 0.000 0.285 388 T C 0.281 175.284 174.700 0.506 0.000 1.019 388 T CA -0.062 62.175 62.100 0.229 0.000 1.010 388 T CB 1.592 70.561 68.868 0.169 0.000 1.022 388 T HN 0.993 nan 8.240 nan 0.000 0.466 389 A N 3.344 126.490 122.820 0.543 0.000 2.288 389 A HA 0.250 4.570 4.320 -0.001 0.000 0.216 389 A C 0.710 178.528 177.584 0.390 0.000 1.199 389 A CA -0.501 51.859 52.037 0.539 0.000 0.891 389 A CB 0.064 19.393 19.000 0.548 0.000 0.923 389 A HN 0.829 nan 8.150 nan 0.000 0.500 390 W N 2.552 123.998 121.300 0.244 0.000 2.510 390 W HA 0.231 4.890 4.660 -0.001 0.000 0.388 390 W C -0.702 175.960 176.519 0.238 0.000 1.092 390 W CA -0.162 57.290 57.345 0.179 0.000 1.562 390 W CB 0.118 29.662 29.460 0.140 0.000 1.603 390 W HN 0.244 nan 8.180 nan 0.000 0.396 391 N N 7.151 125.823 118.700 -0.046 0.000 2.621 391 N HA 0.218 4.957 4.740 -0.001 0.000 0.237 391 N C -1.799 173.567 175.510 -0.240 0.000 0.997 391 N CA -2.200 50.821 53.050 -0.048 0.000 0.918 391 N CB 1.488 39.819 38.487 -0.260 0.000 1.122 391 N HN 0.049 nan 8.380 nan 0.000 0.510 392 P HA -0.109 nan 4.420 nan 0.000 0.217 392 P C 0.927 178.163 177.300 -0.106 0.000 1.148 392 P CA 1.237 64.263 63.100 -0.123 0.000 0.828 392 P CB 0.445 32.178 31.700 0.056 0.000 0.783 393 S N -0.390 115.263 115.700 -0.079 0.000 2.355 393 S HA -0.080 4.390 4.470 -0.001 0.000 0.222 393 S C 2.067 176.592 174.600 -0.124 0.000 1.031 393 S CA 1.344 59.496 58.200 -0.079 0.000 0.993 393 S CB -0.995 62.171 63.200 -0.057 0.000 0.859 393 S HN 0.170 nan 8.310 nan 0.000 0.453 394 A N 1.090 123.800 122.820 -0.183 0.000 2.067 394 A HA 0.143 4.462 4.320 -0.001 0.000 0.217 394 A C 1.903 179.355 177.584 -0.220 0.000 1.156 394 A CA 0.486 52.401 52.037 -0.203 0.000 0.683 394 A CB -0.495 18.357 19.000 -0.247 0.000 0.808 394 A HN 0.312 nan 8.150 nan 0.000 0.455 395 L N 0.605 121.670 121.223 -0.263 0.000 1.991 395 L HA -0.164 4.175 4.340 -0.001 0.000 0.221 395 L C -0.390 176.369 176.870 -0.185 0.000 1.079 395 L CA 2.735 57.397 54.840 -0.296 0.000 0.778 395 L CB -1.515 40.310 42.059 -0.390 0.000 0.893 395 L HN 0.283 nan 8.230 nan 0.000 0.437 396 P HA -0.148 nan 4.420 nan 0.000 0.225 396 P C 1.075 178.330 177.300 -0.075 0.000 1.148 396 P CA 1.266 64.311 63.100 -0.091 0.000 0.779 396 P CB -0.099 31.556 31.700 -0.076 0.000 0.780 397 R N -1.397 119.055 120.500 -0.080 0.000 2.334 397 R HA 0.294 4.634 4.340 -0.001 0.000 0.216 397 R C 1.096 177.407 176.300 0.019 0.000 0.905 397 R CA 0.023 56.111 56.100 -0.020 0.000 1.064 397 R CB -0.079 30.212 30.300 -0.015 0.000 1.046 397 R HN 0.313 nan 8.270 nan 0.000 0.508 398 M N -0.563 118.998 119.600 -0.065 0.000 2.342 398 M HA 0.271 4.751 4.480 -0.001 0.000 0.332 398 M C 1.288 177.630 176.300 0.069 0.000 1.166 398 M CA -0.297 54.957 55.300 -0.077 0.000 1.086 398 M CB 1.495 33.998 32.600 -0.161 0.000 1.541 398 M HN -0.038 nan 8.290 nan 0.000 0.462 399 A N 2.934 125.840 122.820 0.144 0.000 1.877 399 A HA 0.132 4.452 4.320 -0.001 0.000 0.216 399 A C 0.758 178.581 177.584 0.398 0.000 1.186 399 A CA 1.234 53.479 52.037 0.347 0.000 0.620 399 A CB -0.005 19.232 19.000 0.395 0.000 0.822 399 A HN 0.705 nan 8.150 nan 0.000 0.443 400 L N -0.972 120.425 121.223 0.290 0.000 2.409 400 L HA 0.398 4.738 4.340 -0.001 0.000 0.262 400 L C -2.818 174.101 176.870 0.081 0.000 0.992 400 L CA -2.312 52.675 54.840 0.246 0.000 0.817 400 L CB 2.400 44.649 42.059 0.317 0.000 1.350 400 L HN -0.048 nan 8.230 nan 0.000 0.411 401 P HA 0.178 nan 4.420 nan 0.000 0.271 401 P C -2.533 174.783 177.300 0.025 0.000 1.218 401 P CA -1.088 61.971 63.100 -0.067 0.000 0.780 401 P CB -0.211 31.478 31.700 -0.019 0.000 0.901 402 P HA -0.026 nan 4.420 nan 0.000 0.269 402 P C 0.216 177.734 177.300 0.362 0.000 1.209 402 P CA -0.048 63.008 63.100 -0.073 0.000 0.776 402 P CB 0.749 32.423 31.700 -0.043 0.000 0.876 403 C N 2.762 122.329 119.300 0.444 0.000 2.519 403 C HA 0.100 4.560 4.460 -0.001 0.000 0.297 403 C C 1.089 176.324 174.990 0.408 0.000 1.414 403 C CA 0.490 59.764 59.018 0.426 0.000 1.893 403 C CB -1.531 26.483 27.740 0.457 0.000 2.134 403 C HN 0.736 nan 8.230 nan 0.000 0.580 404 H N 1.625 120.973 119.070 0.463 0.000 2.934 404 H HA 0.475 5.031 4.556 -0.001 0.000 0.273 404 H C 0.253 175.883 175.328 0.503 0.000 1.121 404 H CA -0.130 56.131 56.048 0.355 0.000 1.451 404 H CB 0.135 30.088 29.762 0.317 0.000 1.469 404 H HN 0.460 nan 8.280 nan 0.000 0.476 405 L N 1.440 122.884 121.223 0.368 0.000 2.966 405 L HA 0.480 4.819 4.340 -0.001 0.000 0.262 405 L C -0.579 176.441 176.870 0.251 0.000 1.165 405 L CA -0.330 54.741 54.840 0.385 0.000 0.978 405 L CB 0.437 42.760 42.059 0.441 0.000 1.337 405 L HN 0.520 nan 8.230 nan 0.000 0.563 406 L N 0.846 122.128 121.223 0.098 0.000 2.611 406 L HA 0.892 5.232 4.340 -0.001 0.000 0.260 406 L C -1.662 175.029 176.870 -0.299 0.000 0.924 406 L CA -0.246 54.526 54.840 -0.115 0.000 0.901 406 L CB 1.951 43.973 42.059 -0.061 0.000 1.369 406 L HN 0.090 nan 8.230 nan 0.000 0.415 407 A N 4.158 126.609 122.820 -0.615 0.000 2.398 407 A HA 0.729 5.049 4.320 -0.001 0.000 0.301 407 A C -1.489 175.785 177.584 -0.516 0.000 1.041 407 A CA -0.464 51.195 52.037 -0.630 0.000 0.711 407 A CB 1.795 20.330 19.000 -0.774 0.000 1.240 407 A HN 0.673 nan 8.150 nan 0.000 0.420 408 Q N 1.656 121.227 119.800 -0.382 0.000 2.312 408 Q HA 0.682 5.022 4.340 -0.001 0.000 0.263 408 Q C -1.704 174.132 176.000 -0.273 0.000 0.995 408 Q CA -0.464 55.214 55.803 -0.209 0.000 0.853 408 Q CB 1.179 29.861 28.738 -0.093 0.000 1.300 408 Q HN 0.628 nan 8.270 nan 0.000 0.448 409 F N 2.152 122.156 119.950 0.090 0.000 2.440 409 F HA 0.517 5.044 4.527 -0.001 0.000 0.328 409 F C -0.684 175.227 175.800 0.184 0.000 1.070 409 F CA -0.442 57.635 58.000 0.129 0.000 1.011 409 F CB 1.216 40.281 39.000 0.109 0.000 1.226 409 F HN 0.495 nan 8.300 nan 0.000 0.491 410 Y N 0.773 121.218 120.300 0.241 0.000 2.436 410 Y HA 0.612 5.161 4.550 -0.001 0.000 0.327 410 Y C -1.829 174.142 175.900 0.118 0.000 1.138 410 Y CA -1.005 57.172 58.100 0.128 0.000 1.042 410 Y CB 1.406 39.909 38.460 0.072 0.000 1.302 410 Y HN 0.336 nan 8.280 nan 0.000 0.439 411 V N 4.491 124.233 119.914 -0.286 0.000 2.581 411 V HA 0.801 4.921 4.120 -0.001 0.000 0.303 411 V C -0.707 175.224 176.094 -0.272 0.000 1.041 411 V CA -0.500 61.705 62.300 -0.158 0.000 0.907 411 V CB 1.649 33.403 31.823 -0.115 0.000 0.994 411 V HN 0.710 nan 8.190 nan 0.000 0.442 412 S N 4.012 119.689 115.700 -0.039 0.000 2.584 412 S HA 0.382 4.852 4.470 -0.001 0.000 0.280 412 S C -0.258 174.370 174.600 0.046 0.000 1.162 412 S CA -0.562 57.649 58.200 0.018 0.000 0.951 412 S CB 0.861 64.177 63.200 0.194 0.000 1.108 412 S HN 0.859 nan 8.310 nan 0.000 0.464 413 N N 2.728 121.443 118.700 0.026 0.000 2.740 413 N HA -0.174 4.566 4.740 -0.001 0.000 0.248 413 N C 0.845 176.371 175.510 0.026 0.000 1.062 413 N CA 1.419 54.486 53.050 0.028 0.000 0.704 413 N CB -1.482 37.030 38.487 0.042 0.000 0.968 413 N HN 1.903 nan 8.380 nan 0.000 0.547 414 G N -0.297 108.511 108.800 0.012 0.000 2.233 414 G HA2 -0.323 3.637 3.960 -0.001 0.000 0.270 414 G HA3 -0.323 3.637 3.960 -0.001 0.000 0.270 414 G C -0.153 174.764 174.900 0.027 0.000 1.011 414 G CA 1.099 46.206 45.100 0.012 0.000 0.762 414 G HN 0.660 nan 8.290 nan 0.000 0.511 415 E N -1.104 119.123 120.200 0.045 0.000 2.199 415 E HA 0.547 4.896 4.350 -0.001 0.000 0.269 415 E C -0.534 176.124 176.600 0.097 0.000 0.899 415 E CA -1.115 55.327 56.400 0.069 0.000 0.772 415 E CB 2.036 31.784 29.700 0.081 0.000 1.155 415 E HN 0.141 nan 8.360 nan 0.000 0.408 416 L N 2.497 123.786 121.223 0.111 0.000 2.261 416 L HA 0.295 4.635 4.340 -0.001 0.000 0.289 416 L C -0.661 176.344 176.870 0.224 0.000 1.059 416 L CA 0.307 55.248 54.840 0.169 0.000 0.816 416 L CB 0.827 42.973 42.059 0.145 0.000 1.191 416 L HN 0.349 nan 8.230 nan 0.000 0.431 417 S N 3.432 119.294 115.700 0.270 0.000 2.722 417 S HA 0.712 5.182 4.470 -0.001 0.000 0.292 417 S C -1.038 173.694 174.600 0.220 0.000 1.135 417 S CA -0.575 57.760 58.200 0.225 0.000 1.003 417 S CB 1.548 64.867 63.200 0.199 0.000 1.067 417 S HN 0.833 nan 8.310 nan 0.000 0.546 418 C N 2.574 121.913 119.300 0.065 0.000 3.006 418 C HA 0.582 5.041 4.460 -0.001 0.000 0.359 418 C C -1.335 173.569 174.990 -0.143 0.000 1.103 418 C CA -0.653 58.276 59.018 -0.148 0.000 1.286 418 C CB 0.726 28.323 27.740 -0.237 0.000 1.694 418 C HN 0.852 nan 8.230 nan 0.000 0.511 419 M N 4.895 124.365 119.600 -0.218 0.000 2.364 419 M HA 0.580 5.059 4.480 -0.001 0.000 0.334 419 M C -1.141 175.031 176.300 -0.214 0.000 1.107 419 M CA -0.557 54.648 55.300 -0.157 0.000 0.988 419 M CB 1.704 34.230 32.600 -0.124 0.000 1.673 419 M HN 0.739 nan 8.290 nan 0.000 0.441 420 L N 5.341 126.466 121.223 -0.164 0.000 2.356 420 L HA 0.477 4.816 4.340 -0.001 0.000 0.277 420 L C -1.955 174.863 176.870 -0.087 0.000 0.996 420 L CA -0.351 54.335 54.840 -0.257 0.000 0.822 420 L CB 1.458 43.249 42.059 -0.446 0.000 1.256 420 L HN 0.581 nan 8.230 nan 0.000 0.413 421 Y N 4.049 124.236 120.300 -0.188 0.000 2.335 421 Y HA 0.544 5.094 4.550 -0.001 0.000 0.339 421 Y C -0.481 175.385 175.900 -0.056 0.000 0.987 421 Y CA -0.018 58.002 58.100 -0.134 0.000 1.140 421 Y CB 1.109 39.487 38.460 -0.137 0.000 1.173 421 Y HN 0.743 nan 8.280 nan 0.000 0.486 422 Q N 6.500 125.941 119.800 -0.599 0.000 2.325 422 Q HA 0.276 4.616 4.340 -0.001 0.000 0.270 422 Q C 0.554 176.288 176.000 -0.443 0.000 1.020 422 Q CA -0.760 54.881 55.803 -0.271 0.000 0.785 422 Q CB 1.232 29.942 28.738 -0.048 0.000 1.259 422 Q HN 0.986 nan 8.270 nan 0.000 0.452 423 R N 1.146 121.567 120.500 -0.131 0.000 2.115 423 R HA 0.083 4.422 4.340 -0.001 0.000 0.226 423 R C 0.504 176.828 176.300 0.040 0.000 1.100 423 R CA 0.707 56.791 56.100 -0.027 0.000 0.980 423 R CB 0.204 30.547 30.300 0.071 0.000 0.875 423 R HN 0.261 nan 8.270 nan 0.000 0.445 424 S N -0.223 115.531 115.700 0.090 0.000 2.647 424 S HA 0.460 4.929 4.470 -0.001 0.000 0.300 424 S C -1.427 173.238 174.600 0.107 0.000 1.129 424 S CA -0.862 57.442 58.200 0.173 0.000 1.029 424 S CB 1.633 64.987 63.200 0.257 0.000 1.007 424 S HN 0.347 nan 8.310 nan 0.000 0.484 425 C N 4.141 123.402 119.300 -0.064 0.000 2.386 425 C HA 0.451 4.911 4.460 -0.001 0.000 0.318 425 C C -0.301 174.304 174.990 -0.642 0.000 1.128 425 C CA -1.016 57.879 59.018 -0.204 0.000 1.438 425 C CB -0.223 27.434 27.740 -0.138 0.000 1.987 425 C HN 0.960 nan 8.230 nan 0.000 0.426 426 D N 3.284 123.462 120.400 -0.370 0.000 2.325 426 D HA 0.225 4.864 4.640 -0.001 0.000 0.251 426 D C 1.252 177.552 176.300 0.000 0.000 1.196 426 D CA -0.266 53.604 54.000 -0.217 0.000 0.866 426 D CB 0.731 41.670 40.800 0.233 0.000 1.101 426 D HN 0.349 nan 8.370 nan 0.000 0.476 427 M N 3.064 122.664 119.600 0.000 0.000 2.374 427 M HA 0.075 4.555 4.480 -0.001 0.000 0.264 427 M C 1.952 178.388 176.300 0.225 0.000 1.067 427 M CA 0.784 56.150 55.300 0.110 0.000 1.103 427 M CB -0.924 31.670 32.600 -0.010 0.000 1.402 427 M HN 0.602 nan 8.290 nan 0.000 0.444 428 G N -0.310 108.612 108.800 0.203 0.000 2.408 428 G HA2 0.053 4.013 3.960 -0.001 0.000 0.215 428 G HA3 0.053 4.013 3.960 -0.001 0.000 0.215 428 G C 1.458 176.451 174.900 0.156 0.000 1.156 428 G CA 0.845 46.051 45.100 0.177 0.000 0.793 428 G HN 0.448 nan 8.290 nan 0.000 0.535 429 L N -1.805 119.518 121.223 0.168 0.000 2.567 429 L HA 0.480 4.819 4.340 -0.001 0.000 0.228 429 L C 2.361 179.314 176.870 0.138 0.000 1.046 429 L CA 1.525 56.447 54.840 0.138 0.000 1.013 429 L CB -0.539 41.578 42.059 0.096 0.000 1.944 429 L HN 0.024 nan 8.230 nan 0.000 0.510 430 G N 0.280 109.155 108.800 0.124 0.000 2.402 430 G HA2 -0.100 3.860 3.960 -0.001 0.000 0.216 430 G HA3 -0.100 3.860 3.960 -0.001 0.000 0.216 430 G C 1.294 176.293 174.900 0.164 0.000 1.162 430 G CA 1.314 46.480 45.100 0.110 0.000 0.777 430 G HN 0.233 nan 8.290 nan 0.000 0.539 431 V N 2.010 122.024 119.914 0.166 0.000 2.244 431 V HA -0.073 4.047 4.120 -0.001 0.000 0.244 431 V C 0.202 176.342 176.094 0.077 0.000 1.042 431 V CA 2.134 64.538 62.300 0.173 0.000 1.006 431 V CB -0.947 31.029 31.823 0.255 0.000 0.641 431 V HN 0.283 nan 8.190 nan 0.000 0.446 432 P HA -0.158 nan 4.420 nan 0.000 0.220 432 P C 1.629 178.899 177.300 -0.051 0.000 1.148 432 P CA 1.338 64.386 63.100 -0.087 0.000 0.803 432 P CB -0.102 31.555 31.700 -0.073 0.000 0.782 433 F N 0.893 120.802 119.950 -0.069 0.000 2.102 433 F HA -0.158 4.368 4.527 -0.001 0.000 0.298 433 F C 1.949 177.691 175.800 -0.097 0.000 1.105 433 F CA 1.567 59.530 58.000 -0.061 0.000 1.239 433 F CB -0.633 38.358 39.000 -0.015 0.000 0.991 433 F HN -0.164 nan 8.300 nan 0.000 0.474 434 N N 0.705 119.505 118.700 0.167 0.000 2.244 434 N HA -0.150 4.589 4.740 -0.001 0.000 0.183 434 N C 2.060 177.500 175.510 -0.118 0.000 1.016 434 N CA 1.529 54.603 53.050 0.040 0.000 0.866 434 N CB -0.402 38.093 38.487 0.013 0.000 0.980 434 N HN 0.360 nan 8.380 nan 0.000 0.430 435 I N 1.152 121.541 120.570 -0.302 0.000 2.208 435 I HA -0.259 3.911 4.170 -0.001 0.000 0.245 435 I C 2.261 178.162 176.117 -0.360 0.000 1.097 435 I CA 1.085 62.097 61.300 -0.479 0.000 1.363 435 I CB -0.175 37.393 38.000 -0.720 0.000 1.051 435 I HN 0.068 nan 8.210 nan 0.000 0.413 436 A N -0.518 122.114 122.820 -0.314 0.000 1.930 436 A HA -0.173 4.147 4.320 -0.001 0.000 0.217 436 A C 2.458 179.956 177.584 -0.144 0.000 1.175 436 A CA 1.911 53.809 52.037 -0.232 0.000 0.627 436 A CB -0.663 18.205 19.000 -0.220 0.000 0.815 436 A HN 0.352 nan 8.150 nan 0.000 0.443 437 S N -1.482 114.119 115.700 -0.165 0.000 2.359 437 S HA -0.163 4.306 4.470 -0.001 0.000 0.224 437 S C 1.720 176.262 174.600 -0.098 0.000 1.035 437 S CA 1.708 59.836 58.200 -0.120 0.000 1.018 437 S CB -0.465 62.721 63.200 -0.022 0.000 0.876 437 S HN 0.696 nan 8.310 nan 0.000 0.448 438 Y N 0.906 121.177 120.300 -0.049 0.000 2.517 438 Y HA 0.300 4.849 4.550 -0.001 0.000 0.281 438 Y C 2.267 178.162 175.900 -0.009 0.000 1.125 438 Y CA 0.108 58.211 58.100 0.004 0.000 1.283 438 Y CB -0.494 37.941 38.460 -0.041 0.000 1.042 438 Y HN 0.245 nan 8.280 nan 0.000 0.547 439 A N 0.267 123.107 122.820 0.032 0.000 1.858 439 A HA -0.168 4.152 4.320 -0.001 0.000 0.216 439 A C 2.230 179.837 177.584 0.039 0.000 1.190 439 A CA 1.413 53.440 52.037 -0.016 0.000 0.617 439 A CB -1.008 17.907 19.000 -0.142 0.000 0.827 439 A HN 0.459 nan 8.150 nan 0.000 0.443 440 L N -0.985 120.270 121.223 0.052 0.000 2.012 440 L HA -0.190 4.150 4.340 -0.001 0.000 0.210 440 L C 2.574 179.501 176.870 0.095 0.000 1.073 440 L CA 1.961 56.863 54.840 0.102 0.000 0.748 440 L CB -0.368 41.744 42.059 0.089 0.000 0.891 440 L HN 0.485 nan 8.230 nan 0.000 0.431 441 L N -0.233 121.028 121.223 0.063 0.000 1.990 441 L HA -0.255 4.085 4.340 -0.001 0.000 0.213 441 L C 2.446 179.413 176.870 0.163 0.000 1.072 441 L CA 2.569 57.462 54.840 0.089 0.000 0.755 441 L CB -1.080 40.992 42.059 0.021 0.000 0.889 441 L HN 0.226 nan 8.230 nan 0.000 0.432 442 T N 0.027 114.715 114.554 0.223 0.000 2.720 442 T HA -0.194 4.156 4.350 -0.001 0.000 0.268 442 T C 2.000 176.801 174.700 0.169 0.000 1.037 442 T CA 2.035 64.308 62.100 0.289 0.000 1.144 442 T CB -0.421 68.608 68.868 0.269 0.000 0.864 442 T HN 0.357 nan 8.240 nan 0.000 0.444 443 I N 0.530 121.181 120.570 0.134 0.000 2.226 443 I HA -0.146 4.024 4.170 -0.001 0.000 0.245 443 I C 2.285 178.446 176.117 0.073 0.000 1.100 443 I CA 1.228 62.604 61.300 0.128 0.000 1.374 443 I CB -0.385 37.719 38.000 0.173 0.000 1.057 443 I HN 0.200 nan 8.210 nan 0.000 0.413 444 L N 0.075 121.327 121.223 0.048 0.000 2.027 444 L HA -0.200 4.140 4.340 -0.001 0.000 0.206 444 L C 2.510 179.324 176.870 -0.093 0.000 1.074 444 L CA 1.041 55.829 54.840 -0.085 0.000 0.745 444 L CB -0.461 41.554 42.059 -0.073 0.000 0.898 444 L HN 0.211 nan 8.230 nan 0.000 0.433 445 I N 0.259 120.799 120.570 -0.049 0.000 2.361 445 I HA -0.241 3.928 4.170 -0.001 0.000 0.251 445 I C 2.833 178.880 176.117 -0.117 0.000 1.133 445 I CA 1.437 62.661 61.300 -0.126 0.000 1.413 445 I CB -1.448 36.401 38.000 -0.251 0.000 1.073 445 I HN 0.191 nan 8.210 nan 0.000 0.424 446 A N 1.305 124.096 122.820 -0.047 0.000 1.883 446 A HA -0.227 4.093 4.320 -0.001 0.000 0.217 446 A C 2.367 179.917 177.584 -0.056 0.000 1.186 446 A CA 1.650 53.669 52.037 -0.029 0.000 0.624 446 A CB -0.511 18.505 19.000 0.027 0.000 0.822 446 A HN 0.367 nan 8.150 nan 0.000 0.444 447 K N -0.370 119.978 120.400 -0.087 0.000 2.097 447 K HA -0.063 4.257 4.320 -0.001 0.000 0.206 447 K C 2.187 178.724 176.600 -0.106 0.000 1.049 447 K CA 1.141 57.352 56.287 -0.126 0.000 0.933 447 K CB -0.328 32.018 32.500 -0.257 0.000 0.717 447 K HN 0.444 nan 8.250 nan 0.000 0.442 448 A N 1.210 123.968 122.820 -0.104 0.000 2.067 448 A HA -0.100 4.220 4.320 -0.001 0.000 0.219 448 A C 2.012 179.548 177.584 -0.078 0.000 1.158 448 A CA 1.823 53.812 52.037 -0.080 0.000 0.661 448 A CB -0.450 18.504 19.000 -0.076 0.000 0.801 448 A HN 0.463 nan 8.150 nan 0.000 0.452 449 T N -5.841 108.661 114.554 -0.085 0.000 3.040 449 T HA 0.433 4.783 4.350 -0.001 0.000 0.266 449 T C 1.185 175.849 174.700 -0.060 0.000 1.005 449 T CA 1.012 63.065 62.100 -0.079 0.000 0.906 449 T CB 0.261 69.069 68.868 -0.100 0.000 1.082 449 T HN 1.644 nan 8.240 nan 0.000 0.531 450 G N 1.497 110.265 108.800 -0.055 0.000 2.160 450 G HA2 -0.192 3.768 3.960 -0.001 0.000 0.244 450 G HA3 -0.192 3.768 3.960 -0.001 0.000 0.244 450 G C -0.212 174.671 174.900 -0.027 0.000 1.022 450 G CA 0.285 45.361 45.100 -0.040 0.000 0.741 450 G HN 0.645 nan 8.290 nan 0.000 0.508 451 L N -0.034 121.174 121.223 -0.025 0.000 2.334 451 L HA 0.713 5.053 4.340 -0.001 0.000 0.270 451 L C 1.250 178.127 176.870 0.010 0.000 1.018 451 L CA -1.412 53.425 54.840 -0.005 0.000 0.811 451 L CB 1.158 43.216 42.059 -0.003 0.000 1.271 451 L HN 0.353 nan 8.230 nan 0.000 0.443 452 R N 1.271 121.786 120.500 0.026 0.000 2.457 452 R HA 0.493 4.833 4.340 -0.001 0.000 0.284 452 R C -2.708 173.629 176.300 0.061 0.000 1.024 452 R CA -1.897 54.229 56.100 0.043 0.000 1.025 452 R CB 0.387 30.714 30.300 0.045 0.000 1.063 452 R HN 0.234 nan 8.270 nan 0.000 0.493 453 P HA 0.011 nan 4.420 nan 0.000 0.268 453 P C -0.396 176.959 177.300 0.091 0.000 1.205 453 P CA 0.092 63.247 63.100 0.091 0.000 0.771 453 P CB 1.261 33.017 31.700 0.094 0.000 0.858 454 G N 2.161 111.025 108.800 0.107 0.000 2.930 454 G HA2 0.211 4.171 3.960 -0.001 0.000 0.209 454 G HA3 0.211 4.171 3.960 -0.001 0.000 0.209 454 G C -0.722 174.234 174.900 0.093 0.000 2.018 454 G CA 0.046 45.207 45.100 0.103 0.000 0.751 454 G HN 0.541 nan 8.290 nan 0.000 0.770 455 E N -0.447 119.813 120.200 0.100 0.000 2.238 455 E HA 0.521 4.871 4.350 -0.001 0.000 0.267 455 E C -1.430 175.222 176.600 0.088 0.000 0.887 455 E CA -0.627 55.822 56.400 0.082 0.000 0.769 455 E CB 2.134 31.866 29.700 0.053 0.000 1.187 455 E HN 0.163 nan 8.360 nan 0.000 0.416 456 L N 5.446 126.735 121.223 0.109 0.000 2.280 456 L HA 0.456 4.795 4.340 -0.001 0.000 0.287 456 L C -1.318 175.640 176.870 0.147 0.000 1.023 456 L CA -0.677 54.231 54.840 0.113 0.000 0.819 456 L CB 1.228 43.347 42.059 0.101 0.000 1.212 456 L HN 0.395 nan 8.230 nan 0.000 0.420 457 V N 4.916 124.875 119.914 0.073 0.000 2.427 457 V HA 0.347 4.466 4.120 -0.001 0.000 0.286 457 V C -0.135 176.027 176.094 0.112 0.000 1.034 457 V CA -0.633 61.706 62.300 0.066 0.000 0.893 457 V CB 1.474 33.285 31.823 -0.020 0.000 0.982 457 V HN 0.667 nan 8.190 nan 0.000 0.452 458 H N 2.786 121.867 119.070 0.019 0.000 2.587 458 H HA 0.416 4.971 4.556 -0.001 0.000 0.325 458 H C -0.868 174.423 175.328 -0.062 0.000 1.012 458 H CA -0.495 55.543 56.048 -0.016 0.000 1.213 458 H CB 1.392 31.207 29.762 0.089 0.000 1.431 458 H HN 0.671 nan 8.280 nan 0.000 0.492 459 T N 6.613 120.995 114.554 -0.287 0.000 2.767 459 T HA 0.275 4.624 4.350 -0.001 0.000 0.284 459 T C -0.209 174.092 174.700 -0.665 0.000 0.973 459 T CA -0.608 61.274 62.100 -0.364 0.000 0.996 459 T CB 0.669 69.461 68.868 -0.126 0.000 0.927 459 T HN 0.321 nan 8.240 nan 0.000 0.456 460 L N 2.668 123.543 121.223 -0.581 0.000 2.317 460 L HA 0.612 4.951 4.340 -0.001 0.000 0.281 460 L C 1.269 177.856 176.870 -0.473 0.000 1.024 460 L CA -0.162 54.352 54.840 -0.543 0.000 0.810 460 L CB 1.401 43.229 42.059 -0.385 0.000 1.240 460 L HN 0.789 nan 8.230 nan 0.000 0.427 461 G N 0.526 109.071 108.800 -0.426 0.000 2.558 461 G HA2 -0.068 3.891 3.960 -0.001 0.000 0.218 461 G HA3 -0.068 3.891 3.960 -0.001 0.000 0.218 461 G C -0.098 174.836 174.900 0.056 0.000 1.567 461 G CA 0.065 45.032 45.100 -0.220 0.000 0.950 461 G HN 0.569 nan 8.290 nan 0.000 0.517 462 D N 1.750 122.265 120.400 0.192 0.000 2.468 462 D HA 0.490 5.129 4.640 -0.001 0.000 0.218 462 D C 0.009 176.395 176.300 0.144 0.000 1.155 462 D CA -0.338 53.818 54.000 0.261 0.000 0.924 462 D CB 0.457 41.405 40.800 0.247 0.000 1.029 462 D HN 0.251 nan 8.370 nan 0.000 0.515 463 A N 5.201 128.045 122.820 0.041 0.000 2.354 463 A HA 0.436 4.756 4.320 -0.001 0.000 0.281 463 A C -0.033 177.533 177.584 -0.032 0.000 1.174 463 A CA -0.378 51.611 52.037 -0.080 0.000 0.828 463 A CB 0.223 19.166 19.000 -0.094 0.000 1.099 463 A HN 0.722 nan 8.150 nan 0.000 0.516 464 H N -0.211 118.829 119.070 -0.049 0.000 2.946 464 H HA 0.776 5.331 4.556 -0.001 0.000 0.365 464 H C -1.787 173.484 175.328 -0.094 0.000 1.197 464 H CA -1.118 54.866 56.048 -0.106 0.000 1.131 464 H CB 1.311 30.957 29.762 -0.194 0.000 1.849 464 H HN 0.318 nan 8.280 nan 0.000 0.555 465 V N 1.826 121.761 119.914 0.036 0.000 2.656 465 V HA 0.164 4.283 4.120 -0.001 0.000 0.307 465 V C -0.911 175.187 176.094 0.006 0.000 1.051 465 V CA -0.812 61.527 62.300 0.064 0.000 0.893 465 V CB 1.660 33.517 31.823 0.058 0.000 0.999 465 V HN 0.628 nan 8.190 nan 0.000 0.426 466 Y N 1.977 122.361 120.300 0.140 0.000 2.425 466 Y HA 0.080 4.629 4.550 -0.001 0.000 0.331 466 Y C 1.892 177.781 175.900 -0.018 0.000 1.157 466 Y CA 0.762 58.862 58.100 0.000 0.000 1.372 466 Y CB 1.331 39.678 38.460 -0.187 0.000 1.253 466 Y HN 0.726 nan 8.280 nan 0.000 0.536 467 S N 1.991 117.747 115.700 0.092 0.000 2.372 467 S HA -0.309 4.160 4.470 -0.001 0.000 0.227 467 S C 1.784 176.426 174.600 0.069 0.000 1.044 467 S CA 2.123 60.355 58.200 0.053 0.000 1.050 467 S CB -0.372 62.846 63.200 0.031 0.000 0.901 467 S HN 0.922 nan 8.310 nan 0.000 0.447 468 N N 0.558 119.286 118.700 0.047 0.000 2.309 468 N HA -0.113 4.627 4.740 -0.001 0.000 0.182 468 N C 1.065 176.660 175.510 0.143 0.000 1.018 468 N CA 1.450 54.526 53.050 0.044 0.000 0.876 468 N CB -0.907 37.569 38.487 -0.018 0.000 0.972 468 N HN 0.605 nan 8.380 nan 0.000 0.434 469 H N -0.972 118.164 119.070 0.110 0.000 2.556 469 H HA 0.187 4.742 4.556 -0.001 0.000 0.268 469 H C 1.166 176.538 175.328 0.073 0.000 0.996 469 H CA -0.156 55.952 56.048 0.098 0.000 1.157 469 H CB 0.517 30.368 29.762 0.147 0.000 1.355 469 H HN 0.051 nan 8.280 nan 0.000 0.597 470 V N 0.773 120.788 119.914 0.169 0.000 2.343 470 V HA -0.251 3.869 4.120 -0.001 0.000 0.247 470 V C 2.356 178.492 176.094 0.071 0.000 1.051 470 V CA 1.990 64.348 62.300 0.097 0.000 1.036 470 V CB -0.247 31.614 31.823 0.062 0.000 0.654 470 V HN 0.510 nan 8.190 nan 0.000 0.451 471 E N 0.334 120.577 120.200 0.071 0.000 2.028 471 E HA -0.172 4.178 4.350 -0.001 0.000 0.191 471 E C -0.129 176.497 176.600 0.043 0.000 0.988 471 E CA 1.548 57.978 56.400 0.050 0.000 0.799 471 E CB -0.769 28.959 29.700 0.047 0.000 0.755 471 E HN 0.499 nan 8.360 nan 0.000 0.447 472 P HA -0.154 nan 4.420 nan 0.000 0.216 472 P C 1.377 178.688 177.300 0.018 0.000 1.150 472 P CA 1.062 64.180 63.100 0.029 0.000 0.837 472 P CB -0.192 31.521 31.700 0.021 0.000 0.786 473 C N -0.540 118.779 119.300 0.032 0.000 2.413 473 C HA -0.107 4.353 4.460 -0.001 0.000 0.276 473 C C 2.663 177.658 174.990 0.008 0.000 1.236 473 C CA 1.302 60.335 59.018 0.024 0.000 1.735 473 C CB -2.064 25.699 27.740 0.038 0.000 2.031 473 C HN 0.259 nan 8.230 nan 0.000 0.474 474 N N 0.753 119.459 118.700 0.010 0.000 2.149 474 N HA -0.105 4.634 4.740 -0.001 0.000 0.188 474 N C 1.704 177.210 175.510 -0.007 0.000 1.019 474 N CA 1.145 54.195 53.050 0.001 0.000 0.857 474 N CB -0.441 38.050 38.487 0.007 0.000 0.997 474 N HN 0.555 nan 8.380 nan 0.000 0.426 475 E N 0.667 120.863 120.200 -0.005 0.000 2.072 475 E HA -0.183 4.166 4.350 -0.001 0.000 0.191 475 E C 1.853 178.428 176.600 -0.041 0.000 0.985 475 E CA 0.643 57.033 56.400 -0.015 0.000 0.801 475 E CB -0.311 29.385 29.700 -0.006 0.000 0.750 475 E HN 0.546 nan 8.360 nan 0.000 0.452 476 Q N 0.521 120.299 119.800 -0.037 0.000 2.124 476 Q HA -0.099 4.240 4.340 -0.001 0.000 0.202 476 Q C 2.355 178.316 176.000 -0.065 0.000 0.977 476 Q CA 0.775 56.541 55.803 -0.063 0.000 0.850 476 Q CB -0.048 28.680 28.738 -0.016 0.000 0.901 476 Q HN 0.238 nan 8.270 nan 0.000 0.429 477 L N 0.494 121.697 121.223 -0.033 0.000 2.191 477 L HA -0.192 4.147 4.340 -0.001 0.000 0.212 477 L C 2.236 179.082 176.870 -0.039 0.000 1.103 477 L CA 1.139 55.963 54.840 -0.028 0.000 0.769 477 L CB -0.285 41.761 42.059 -0.022 0.000 0.908 477 L HN 0.165 nan 8.230 nan 0.000 0.438 478 K N -0.030 120.341 120.400 -0.048 0.000 2.365 478 K HA -0.028 4.291 4.320 -0.001 0.000 0.199 478 K C 0.658 177.216 176.600 -0.070 0.000 1.045 478 K CA 0.294 56.554 56.287 -0.044 0.000 0.962 478 K CB 0.017 32.498 32.500 -0.031 0.000 0.759 478 K HN 0.311 nan 8.250 nan 0.000 0.469 479 R N 1.028 121.442 120.500 -0.144 0.000 2.594 479 R HA 0.141 4.481 4.340 -0.001 0.000 0.272 479 R C -0.369 175.849 176.300 -0.136 0.000 1.074 479 R CA -0.273 55.669 56.100 -0.263 0.000 1.105 479 R CB 1.002 30.906 30.300 -0.660 0.000 1.008 479 R HN -0.163 nan 8.270 nan 0.000 0.472 480 V N 5.395 125.288 119.914 -0.036 0.000 2.364 480 V HA 0.183 4.303 4.120 -0.001 0.000 0.272 480 V C -2.000 174.168 176.094 0.123 0.000 1.036 480 V CA -2.009 60.323 62.300 0.054 0.000 0.880 480 V CB 1.310 33.187 31.823 0.091 0.000 0.991 480 V HN 0.663 nan 8.190 nan 0.000 0.460 481 P HA 0.167 nan 4.420 nan 0.000 0.264 481 P C -0.121 177.199 177.300 0.032 0.000 1.193 481 P CA 0.217 63.352 63.100 0.059 0.000 0.763 481 P CB 0.475 32.164 31.700 -0.019 0.000 0.810 482 R N 1.983 122.518 120.500 0.058 0.000 2.541 482 R HA 0.695 5.035 4.340 -0.001 0.000 0.254 482 R C 0.336 176.558 176.300 -0.131 0.000 1.130 482 R CA -0.971 55.119 56.100 -0.017 0.000 1.152 482 R CB 0.475 30.778 30.300 0.004 0.000 1.222 482 R HN 0.433 nan 8.270 nan 0.000 0.579 483 A N 0.830 123.581 122.820 -0.114 0.000 2.366 483 A HA 0.320 4.639 4.320 -0.001 0.000 0.249 483 A C -0.653 176.886 177.584 -0.074 0.000 1.084 483 A CA -0.193 51.746 52.037 -0.162 0.000 0.794 483 A CB 0.046 19.012 19.000 -0.058 0.000 1.034 483 A HN 0.389 nan 8.150 nan 0.000 0.491 484 F N 1.741 121.674 119.950 -0.028 0.000 2.399 484 F HA 0.372 4.898 4.527 -0.000 0.000 0.342 484 F C -1.235 174.467 175.800 -0.163 0.000 1.106 484 F CA -2.100 55.844 58.000 -0.095 0.000 1.196 484 F CB 0.235 39.134 39.000 -0.169 0.000 1.163 484 F HN 0.389 nan 8.300 nan 0.000 0.547 485 P HA 0.154 nan 4.420 nan 0.000 0.286 485 P C -1.459 175.655 177.300 -0.310 0.000 1.293 485 P CA -0.045 63.030 63.100 -0.042 0.000 0.770 485 P CB 0.762 32.414 31.700 -0.081 0.000 1.206 486 Y N -1.858 118.374 120.300 -0.113 0.000 2.499 486 Y HA 0.449 4.999 4.550 -0.001 0.000 0.347 486 Y C 0.158 175.918 175.900 -0.232 0.000 0.987 486 Y CA -1.013 57.007 58.100 -0.134 0.000 1.044 486 Y CB 1.682 40.108 38.460 -0.057 0.000 1.245 486 Y HN 0.082 nan 8.280 nan 0.000 0.461 487 L N 3.081 124.241 121.223 -0.106 0.000 2.275 487 L HA 0.686 5.025 4.340 -0.001 0.000 0.288 487 L C -1.128 175.638 176.870 -0.175 0.000 1.046 487 L CA -0.478 54.205 54.840 -0.261 0.000 0.805 487 L CB 0.954 42.808 42.059 -0.342 0.000 1.193 487 L HN 0.423 nan 8.230 nan 0.000 0.426 488 V N 5.865 125.643 119.914 -0.227 0.000 2.443 488 V HA 0.347 4.467 4.120 -0.001 0.000 0.293 488 V C -0.522 175.473 176.094 -0.165 0.000 1.021 488 V CA -0.543 61.693 62.300 -0.107 0.000 0.848 488 V CB 1.187 32.995 31.823 -0.025 0.000 0.998 488 V HN 0.455 nan 8.190 nan 0.000 0.424 489 F N 4.917 124.901 119.950 0.057 0.000 2.438 489 F HA 0.389 4.915 4.527 -0.000 0.000 0.360 489 F C 1.654 177.506 175.800 0.085 0.000 1.118 489 F CA -0.231 57.821 58.000 0.086 0.000 1.164 489 F CB 0.798 39.855 39.000 0.095 0.000 1.131 489 F HN 0.426 nan 8.300 nan 0.000 0.527 490 R N 2.457 123.087 120.500 0.216 0.000 2.200 490 R HA 0.077 4.417 4.340 -0.001 0.000 0.208 490 R C 0.518 176.911 176.300 0.154 0.000 1.033 490 R CA 0.406 56.595 56.100 0.148 0.000 1.000 490 R CB 0.043 30.404 30.300 0.101 0.000 0.906 490 R HN 0.648 nan 8.270 nan 0.000 0.462 491 R N -0.179 120.446 120.500 0.208 0.000 2.831 491 R HA 0.400 4.740 4.340 -0.001 0.000 0.266 491 R C -1.002 175.422 176.300 0.207 0.000 1.051 491 R CA -0.866 55.330 56.100 0.159 0.000 0.943 491 R CB 1.412 31.773 30.300 0.102 0.000 1.228 491 R HN -0.300 nan 8.270 nan 0.000 0.467 492 E N 0.693 120.949 120.200 0.094 0.000 2.320 492 E HA 0.525 4.874 4.350 -0.001 0.000 0.264 492 E C -0.718 175.776 176.600 -0.177 0.000 0.923 492 E CA -1.121 55.306 56.400 0.044 0.000 0.796 492 E CB 1.742 31.463 29.700 0.035 0.000 1.262 492 E HN 0.397 nan 8.360 nan 0.000 0.428 493 R N 0.671 120.934 120.500 -0.394 0.000 2.807 493 R HA 0.254 4.594 4.340 -0.001 0.000 0.276 493 R C 0.733 176.871 176.300 -0.269 0.000 0.979 493 R CA -0.583 55.238 56.100 -0.464 0.000 0.928 493 R CB 1.332 31.068 30.300 -0.941 0.000 1.191 493 R HN 0.676 nan 8.270 nan 0.000 0.471 494 E N 0.660 120.725 120.200 -0.226 0.000 2.208 494 E HA 0.017 4.367 4.350 -0.001 0.000 0.193 494 E C -0.562 175.646 176.600 -0.654 0.000 0.988 494 E CA 1.003 57.162 56.400 -0.401 0.000 0.828 494 E CB 0.322 29.783 29.700 -0.398 0.000 0.763 494 E HN 0.290 nan 8.360 nan 0.000 0.478 495 F N -0.424 119.487 119.950 -0.065 0.000 2.556 495 F HA 0.176 4.703 4.527 -0.001 0.000 0.314 495 F C 0.526 176.351 175.800 0.042 0.000 1.106 495 F CA -0.922 57.073 58.000 -0.008 0.000 0.911 495 F CB 1.433 40.432 39.000 -0.002 0.000 1.190 495 F HN -0.172 nan 8.300 nan 0.000 0.448 496 L N 1.894 123.286 121.223 0.282 0.000 2.043 496 L HA -0.187 4.152 4.340 -0.001 0.000 0.212 496 L C 1.827 178.899 176.870 0.337 0.000 1.075 496 L CA 2.168 57.201 54.840 0.322 0.000 0.752 496 L CB -0.504 41.661 42.059 0.177 0.000 0.891 496 L HN 0.667 nan 8.230 nan 0.000 0.432 497 E N -0.350 119.995 120.200 0.241 0.000 2.333 497 E HA -0.158 4.191 4.350 -0.001 0.000 0.198 497 E C 1.417 178.115 176.600 0.163 0.000 1.007 497 E CA 1.065 57.573 56.400 0.180 0.000 0.845 497 E CB -0.227 29.543 29.700 0.117 0.000 0.766 497 E HN 0.543 nan 8.360 nan 0.000 0.507 498 D N -0.763 119.723 120.400 0.142 0.000 2.340 498 D HA -0.043 4.596 4.640 -0.001 0.000 0.220 498 D C -0.509 175.774 176.300 -0.029 0.000 1.039 498 D CA 0.183 54.209 54.000 0.043 0.000 0.866 498 D CB -0.087 40.730 40.800 0.028 0.000 0.913 498 D HN 0.223 nan 8.370 nan 0.000 0.523 499 Y N 2.072 122.431 120.300 0.098 0.000 2.496 499 Y HA 0.073 4.622 4.550 -0.001 0.000 0.334 499 Y C 1.148 177.104 175.900 0.093 0.000 1.080 499 Y CA 0.105 58.269 58.100 0.106 0.000 1.355 499 Y CB 0.358 38.896 38.460 0.129 0.000 1.193 499 Y HN -0.176 nan 8.280 nan 0.000 0.523 500 E N 2.351 122.673 120.200 0.202 0.000 2.248 500 E HA 0.034 4.384 4.350 -0.001 0.000 0.272 500 E C 0.807 177.498 176.600 0.151 0.000 1.008 500 E CA -0.666 55.816 56.400 0.137 0.000 0.856 500 E CB 1.157 30.909 29.700 0.086 0.000 1.120 500 E HN 0.629 nan 8.360 nan 0.000 0.397 501 E N 2.344 122.586 120.200 0.072 0.000 2.130 501 E HA -0.181 4.169 4.350 -0.001 0.000 0.196 501 E C 1.705 178.355 176.600 0.085 0.000 0.998 501 E CA 1.516 57.935 56.400 0.032 0.000 0.806 501 E CB -0.284 29.374 29.700 -0.069 0.000 0.738 501 E HN 0.815 nan 8.360 nan 0.000 0.459 502 G N 0.735 109.585 108.800 0.084 0.000 2.498 502 G HA2 -0.231 3.728 3.960 -0.001 0.000 0.219 502 G HA3 -0.231 3.728 3.960 -0.001 0.000 0.219 502 G C 1.143 176.115 174.900 0.120 0.000 1.119 502 G CA 0.771 45.925 45.100 0.090 0.000 0.766 502 G HN 0.246 nan 8.290 nan 0.000 0.552 503 D N 0.311 120.815 120.400 0.172 0.000 2.219 503 D HA -0.009 4.631 4.640 -0.001 0.000 0.205 503 D C 1.631 178.068 176.300 0.228 0.000 0.970 503 D CA 0.695 54.841 54.000 0.244 0.000 0.851 503 D CB -0.023 41.019 40.800 0.403 0.000 0.943 503 D HN 0.500 nan 8.370 nan 0.000 0.488 504 M N -0.644 119.036 119.600 0.134 0.000 2.456 504 M HA 0.519 4.999 4.480 -0.001 0.000 0.324 504 M C -0.695 175.595 176.300 -0.016 0.000 1.124 504 M CA -0.653 54.612 55.300 -0.057 0.000 0.959 504 M CB 3.102 35.507 32.600 -0.326 0.000 1.692 504 M HN -0.358 nan 8.290 nan 0.000 0.444 505 E N 2.331 122.478 120.200 -0.088 0.000 2.176 505 E HA 0.503 4.852 4.350 -0.001 0.000 0.267 505 E C -1.513 174.981 176.600 -0.176 0.000 0.893 505 E CA -0.796 55.563 56.400 -0.069 0.000 0.761 505 E CB 2.426 32.113 29.700 -0.022 0.000 1.133 505 E HN 0.705 nan 8.360 nan 0.000 0.409 506 V N 6.506 126.264 119.914 -0.261 0.000 2.427 506 V HA 0.190 4.309 4.120 -0.001 0.000 0.268 506 V C 0.354 176.351 176.094 -0.161 0.000 1.046 506 V CA -0.242 61.827 62.300 -0.385 0.000 0.970 506 V CB 0.130 31.516 31.823 -0.727 0.000 1.001 506 V HN 0.507 nan 8.190 nan 0.000 0.476 507 I N 1.374 121.895 120.570 -0.081 0.000 2.377 507 I HA 0.630 4.799 4.170 -0.001 0.000 0.293 507 I C 0.088 176.245 176.117 0.066 0.000 0.987 507 I CA -0.409 60.897 61.300 0.011 0.000 1.185 507 I CB 1.373 39.392 38.000 0.031 0.000 1.341 507 I HN 0.568 nan 8.210 nan 0.000 0.455 508 D N 3.089 123.531 120.400 0.070 0.000 2.835 508 D HA -0.272 4.368 4.640 -0.001 0.000 0.230 508 D C -0.906 175.473 176.300 0.132 0.000 1.130 508 D CA 0.860 54.913 54.000 0.088 0.000 0.738 508 D CB -1.192 39.672 40.800 0.108 0.000 1.090 508 D HN 0.713 nan 8.370 nan 0.000 0.433 509 Y N 1.084 121.361 120.300 -0.039 0.000 2.535 509 Y HA 0.453 5.003 4.550 -0.000 0.000 0.349 509 Y C -0.091 175.798 175.900 -0.020 0.000 0.992 509 Y CA -1.167 56.908 58.100 -0.042 0.000 1.248 509 Y CB 0.496 38.898 38.460 -0.096 0.000 1.124 509 Y HN 0.135 nan 8.280 nan 0.000 0.520 510 A N 9.469 132.167 122.820 -0.205 0.000 2.938 510 A HA 0.495 4.814 4.320 -0.001 0.000 0.344 510 A C -2.709 174.666 177.584 -0.349 0.000 1.142 510 A CA -1.407 50.471 52.037 -0.265 0.000 0.841 510 A CB -0.349 18.568 19.000 -0.139 0.000 1.083 510 A HN 0.531 nan 8.150 nan 0.000 0.479 511 P HA 0.305 nan 4.420 nan 0.000 0.279 511 P C -0.521 176.681 177.300 -0.165 0.000 1.276 511 P CA -0.328 62.580 63.100 -0.319 0.000 0.801 511 P CB 0.548 31.986 31.700 -0.436 0.000 1.127 512 Y N -0.167 120.084 120.300 -0.082 0.000 2.426 512 Y HA 0.139 4.689 4.550 -0.001 0.000 0.344 512 Y C -1.197 174.681 175.900 -0.037 0.000 1.256 512 Y CA -0.776 57.301 58.100 -0.039 0.000 1.451 512 Y CB -1.266 37.190 38.460 -0.006 0.000 1.342 512 Y HN 0.348 nan 8.280 nan 0.000 0.600 513 P HA 0.093 nan 4.420 nan 0.000 0.272 513 P C -2.559 174.796 177.300 0.091 0.000 1.254 513 P CA -0.936 62.211 63.100 0.078 0.000 0.795 513 P CB -0.224 31.515 31.700 0.065 0.000 1.022 514 P HA 0.097 nan 4.420 nan 0.000 0.271 514 P C -0.213 177.112 177.300 0.041 0.000 1.216 514 P CA -0.121 63.005 63.100 0.043 0.000 0.776 514 P CB 0.155 31.870 31.700 0.024 0.000 0.881 515 I N 2.004 122.591 120.570 0.028 0.000 2.588 515 I HA 0.024 4.194 4.170 -0.001 0.000 0.283 515 I C 0.233 176.360 176.117 0.017 0.000 1.119 515 I CA 0.389 61.700 61.300 0.018 0.000 1.419 515 I CB 0.340 38.342 38.000 0.004 0.000 1.394 515 I HN 0.340 nan 8.210 nan 0.000 0.562 516 S N 0.000 115.711 115.700 0.019 0.000 2.498 516 S HA 0.000 4.470 4.470 -0.001 0.000 0.327 516 S CA 0.000 58.211 58.200 0.018 0.000 1.107 516 S CB 0.000 63.212 63.200 0.019 0.000 0.593 516 S HN 0.000 nan 8.310 nan 0.000 0.517