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 3hfx_1_A DATA FIRST_RESID 12 DATA SEQUENCE PKVFFPPLII VGILCWLTVR DLDAANVVIN AVFSYVTNVW GWAFEWYMVV DATA SEQUENCE MLFGWFWLVF GPYAKKRLGN EPPEFSTASW IFMMFASCTS AAVLFWGSIE DATA SEQUENCE IYYYISTPPF GLEPNSTGAK ELGLAYSLFH WGPLPWATYS FLSVAFAYFF DATA SEQUENCE FVRKMEVIRP SSTLVPLVGE KHAKGLFGTI VDNFYLVALI FAMGTSLGLA DATA SEQUENCE TPLVTECMQW LFGIPHTLQL DAIIITCWII LNAICVACGL QKGVRIASDV DATA SEQUENCE RSYLSFLMLG WVFIVSGASF IMNYFTDSVG MLLMYLPRML FYTDPIAKGG DATA SEQUENCE FPQGWTVFYW AWWVIYAIQM SIFLARISRG RTVRELCFGM VLGLTASTWI DATA SEQUENCE LWTVLGSNTL LLIDKNIINI PNLIEQYGVA RAIIETWAAL PLSTATMWGF DATA SEQUENCE FILCFIATVT LVNACSYTLA MSTCREVRDG EEPPLLVRIG WSILVGIIGI DATA SEQUENCE VLLALGGLKP IQTAIIAGGC PLFFVNIMVT LSFIKDAKQN WKD 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 12 P HA 0.000 nan 4.420 nan 0.000 0.216 12 P C 0.000 177.428 177.300 0.214 0.000 1.155 12 P CA 0.000 63.145 63.100 0.075 0.000 0.800 12 P CB 0.000 31.748 31.700 0.080 0.000 0.726 13 K N 1.348 121.852 120.400 0.175 0.000 2.487 13 K HA 0.288 4.608 4.320 -0.001 0.000 0.192 13 K C 1.511 178.202 176.600 0.151 0.000 1.027 13 K CA 1.106 57.497 56.287 0.174 0.000 1.054 13 K CB -0.462 32.110 32.500 0.121 0.000 0.824 13 K HN 0.283 nan 8.250 nan 0.000 0.510 14 V N -4.224 115.779 119.914 0.149 0.000 3.485 14 V HA 0.290 4.410 4.120 -0.001 0.000 0.280 14 V C 1.461 177.643 176.094 0.148 0.000 1.495 14 V CA -0.494 61.879 62.300 0.123 0.000 1.018 14 V CB -0.700 31.178 31.823 0.092 0.000 0.818 14 V HN 0.093 nan 8.190 nan 0.000 0.436 15 F N 1.867 121.796 119.950 -0.035 0.000 2.059 15 F HA 0.127 4.654 4.527 -0.001 0.000 0.289 15 F C 2.011 177.735 175.800 -0.127 0.000 1.128 15 F CA 2.033 59.956 58.000 -0.128 0.000 1.181 15 F CB -0.205 38.469 39.000 -0.544 0.000 1.012 15 F HN 0.098 nan 8.300 nan 0.000 0.473 16 F N 0.719 120.888 119.950 0.364 0.000 2.095 16 F HA -0.076 4.450 4.527 -0.001 0.000 0.298 16 F C -0.500 175.327 175.800 0.044 0.000 1.104 16 F CA 1.076 59.189 58.000 0.187 0.000 1.232 16 F CB -2.754 36.367 39.000 0.202 0.000 0.987 16 F HN 0.041 nan 8.300 nan 0.000 0.475 17 P HA -0.177 nan 4.420 nan 0.000 0.214 17 P C -1.277 176.026 177.300 0.005 0.000 1.169 17 P CA 2.272 65.425 63.100 0.089 0.000 0.908 17 P CB -1.344 30.394 31.700 0.064 0.000 0.791 18 P HA -0.174 nan 4.420 nan 0.000 0.210 18 P C 1.782 179.034 177.300 -0.081 0.000 1.185 18 P CA 1.234 64.284 63.100 -0.083 0.000 0.924 18 P CB -0.640 31.011 31.700 -0.081 0.000 0.786 19 L N -1.184 119.999 121.223 -0.067 0.000 2.064 19 L HA -0.263 4.076 4.340 -0.001 0.000 0.234 19 L C 2.409 179.255 176.870 -0.040 0.000 1.103 19 L CA 2.463 57.265 54.840 -0.063 0.000 0.824 19 L CB -1.726 40.291 42.059 -0.070 0.000 0.919 19 L HN 0.070 nan 8.230 nan 0.000 0.447 20 I N -0.494 120.073 120.570 -0.005 0.000 2.252 20 I HA -0.237 3.933 4.170 -0.001 0.000 0.245 20 I C 2.403 178.465 176.117 -0.092 0.000 1.102 20 I CA 1.434 62.712 61.300 -0.037 0.000 1.385 20 I CB -0.276 37.723 38.000 -0.001 0.000 1.064 20 I HN 0.198 nan 8.210 nan 0.000 0.414 21 I N -0.155 120.365 120.570 -0.083 0.000 2.286 21 I HA -0.240 3.930 4.170 -0.001 0.000 0.248 21 I C 2.462 178.525 176.117 -0.091 0.000 1.115 21 I CA 1.196 62.441 61.300 -0.092 0.000 1.392 21 I CB -0.706 37.235 38.000 -0.099 0.000 1.065 21 I HN 0.156 nan 8.210 nan 0.000 0.418 22 V N 1.257 121.095 119.914 -0.128 0.000 2.270 22 V HA -0.162 3.958 4.120 -0.001 0.000 0.245 22 V C 2.715 178.739 176.094 -0.117 0.000 1.043 22 V CA 2.190 64.413 62.300 -0.129 0.000 1.014 22 V CB -1.465 30.238 31.823 -0.200 0.000 0.645 22 V HN 0.536 nan 8.190 nan 0.000 0.447 23 G N 0.053 108.760 108.800 -0.154 0.000 2.491 23 G HA2 -0.342 3.618 3.960 -0.001 0.000 0.218 23 G HA3 -0.342 3.618 3.960 -0.001 0.000 0.218 23 G C 1.680 176.264 174.900 -0.526 0.000 1.180 23 G CA 1.368 46.313 45.100 -0.259 0.000 0.774 23 G HN 0.522 nan 8.290 nan 0.000 0.562 24 I N -0.016 120.277 120.570 -0.461 0.000 2.163 24 I HA -0.133 4.037 4.170 -0.001 0.000 0.243 24 I C 2.359 178.251 176.117 -0.375 0.000 1.085 24 I CA 1.035 62.030 61.300 -0.508 0.000 1.347 24 I CB -0.023 37.807 38.000 -0.282 0.000 1.044 24 I HN 0.046 nan 8.210 nan 0.000 0.408 25 L N 0.457 121.560 121.223 -0.199 0.000 2.265 25 L HA -0.229 4.110 4.340 -0.001 0.000 0.215 25 L C 2.462 179.283 176.870 -0.082 0.000 1.117 25 L CA 1.282 56.070 54.840 -0.087 0.000 0.782 25 L CB -1.363 40.728 42.059 0.053 0.000 0.914 25 L HN 0.548 nan 8.230 nan 0.000 0.441 26 C N -0.761 118.456 119.300 -0.139 0.000 3.400 26 C HA -0.133 4.327 4.460 -0.001 0.000 0.290 26 C C 2.444 177.450 174.990 0.028 0.000 1.318 26 C CA 0.138 59.136 59.018 -0.035 0.000 1.725 26 C CB -1.452 26.290 27.740 0.003 0.000 2.171 26 C HN 0.817 nan 8.230 nan 0.000 0.521 27 W N 1.446 122.766 121.300 0.033 0.000 2.848 27 W HA 0.124 4.785 4.660 0.001 0.000 0.241 27 W C 1.436 177.967 176.519 0.021 0.000 1.289 27 W CA 0.309 57.669 57.345 0.025 0.000 1.396 27 W CB -0.843 28.630 29.460 0.021 0.000 1.138 27 W HN 0.202 nan 8.180 nan 0.000 0.677 28 L N 0.865 122.053 121.223 -0.057 0.000 2.477 28 L HA 0.177 4.517 4.340 -0.001 0.000 0.220 28 L C 1.888 178.770 176.870 0.020 0.000 1.106 28 L CA 1.784 56.617 54.840 -0.011 0.000 0.851 28 L CB -0.810 41.176 42.059 -0.123 0.000 0.994 28 L HN -0.011 nan 8.230 nan 0.000 0.462 29 T N -1.547 113.020 114.554 0.020 0.000 2.925 29 T HA -0.008 4.341 4.350 -0.001 0.000 0.245 29 T C 1.815 176.550 174.700 0.059 0.000 1.025 29 T CA 1.237 63.354 62.100 0.028 0.000 1.149 29 T CB 0.005 68.884 68.868 0.019 0.000 0.866 29 T HN 0.082 nan 8.240 nan 0.000 0.437 30 V N 3.369 123.339 119.914 0.093 0.000 2.688 30 V HA -0.227 3.892 4.120 -0.001 0.000 0.256 30 V C 2.528 178.685 176.094 0.104 0.000 1.084 30 V CA 1.902 64.265 62.300 0.106 0.000 1.103 30 V CB -0.891 31.018 31.823 0.143 0.000 0.688 30 V HN 0.505 nan 8.190 nan 0.000 0.480 31 R N 0.715 121.289 120.500 0.125 0.000 2.075 31 R HA -0.012 4.327 4.340 -0.001 0.000 0.232 31 R C 0.660 176.998 176.300 0.063 0.000 1.126 31 R CA 1.636 57.797 56.100 0.102 0.000 0.963 31 R CB -0.240 30.139 30.300 0.131 0.000 0.858 31 R HN 0.434 nan 8.270 nan 0.000 0.435 32 D N -0.603 119.828 120.400 0.053 0.000 2.375 32 D HA 0.200 4.840 4.640 -0.001 0.000 0.241 32 D C 0.217 176.531 176.300 0.023 0.000 1.361 32 D CA -0.314 53.706 54.000 0.033 0.000 0.995 32 D CB 1.347 42.164 40.800 0.029 0.000 1.312 32 D HN 0.108 nan 8.370 nan 0.000 0.576 33 L N 1.442 122.677 121.223 0.019 0.000 2.307 33 L HA 0.066 4.406 4.340 -0.001 0.000 0.211 33 L C 1.517 178.388 176.870 0.002 0.000 1.099 33 L CA 0.385 55.231 54.840 0.010 0.000 0.816 33 L CB 0.155 42.222 42.059 0.013 0.000 0.952 33 L HN 0.215 nan 8.230 nan 0.000 0.455 34 D N 0.477 120.879 120.400 0.004 0.000 2.183 34 D HA -0.057 4.582 4.640 -0.001 0.000 0.203 34 D C 2.118 178.416 176.300 -0.004 0.000 0.969 34 D CA 1.134 55.133 54.000 -0.000 0.000 0.842 34 D CB 0.311 41.113 40.800 0.003 0.000 0.957 34 D HN 0.225 nan 8.370 nan 0.000 0.484 35 A N 0.087 122.907 122.820 0.000 0.000 1.984 35 A HA 0.295 4.615 4.320 -0.001 0.000 0.214 35 A C 2.175 179.753 177.584 -0.009 0.000 1.173 35 A CA 1.222 53.258 52.037 -0.003 0.000 0.673 35 A CB -0.443 18.559 19.000 0.003 0.000 0.830 35 A HN 0.191 nan 8.150 nan 0.000 0.453 36 A N 0.946 123.761 122.820 -0.008 0.000 1.865 36 A HA -0.227 4.092 4.320 -0.001 0.000 0.217 36 A C 1.605 179.172 177.584 -0.029 0.000 1.191 36 A CA 1.709 53.735 52.037 -0.017 0.000 0.623 36 A CB -0.927 18.065 19.000 -0.012 0.000 0.826 36 A HN 0.619 nan 8.150 nan 0.000 0.444 37 N N -1.021 117.661 118.700 -0.029 0.000 2.601 37 N HA 0.103 4.843 4.740 -0.001 0.000 0.201 37 N C 0.680 176.165 175.510 -0.042 0.000 1.355 37 N CA 0.264 53.288 53.050 -0.042 0.000 0.880 37 N CB 0.128 38.591 38.487 -0.040 0.000 1.071 37 N HN 0.260 nan 8.380 nan 0.000 0.454 38 V N -1.187 118.708 119.914 -0.032 0.000 3.480 38 V HA 0.003 4.122 4.120 -0.001 0.000 0.263 38 V C 1.492 177.574 176.094 -0.020 0.000 1.442 38 V CA 0.289 62.574 62.300 -0.026 0.000 1.053 38 V CB 0.715 32.528 31.823 -0.017 0.000 0.846 38 V HN 0.063 nan 8.190 nan 0.000 0.440 39 V N 1.199 121.099 119.914 -0.024 0.000 2.273 39 V HA -0.115 4.004 4.120 -0.001 0.000 0.242 39 V C 2.412 178.492 176.094 -0.023 0.000 1.035 39 V CA 1.989 64.275 62.300 -0.023 0.000 1.013 39 V CB -1.024 30.780 31.823 -0.031 0.000 0.652 39 V HN 0.605 nan 8.190 nan 0.000 0.452 40 I N 0.665 121.211 120.570 -0.041 0.000 2.300 40 I HA -0.259 3.910 4.170 -0.001 0.000 0.252 40 I C 2.149 178.251 176.117 -0.024 0.000 1.119 40 I CA 2.363 63.633 61.300 -0.050 0.000 1.384 40 I CB -0.840 37.109 38.000 -0.084 0.000 1.062 40 I HN 0.275 nan 8.210 nan 0.000 0.426 41 N N 1.289 119.966 118.700 -0.038 0.000 2.216 41 N HA -0.012 4.728 4.740 -0.001 0.000 0.183 41 N C 1.812 177.340 175.510 0.029 0.000 1.017 41 N CA 1.586 54.606 53.050 -0.051 0.000 0.861 41 N CB -0.066 38.379 38.487 -0.069 0.000 0.986 41 N HN 0.611 nan 8.380 nan 0.000 0.428 42 A N 0.211 123.057 122.820 0.044 0.000 2.030 42 A HA 0.051 4.370 4.320 -0.001 0.000 0.215 42 A C 2.329 179.998 177.584 0.141 0.000 1.164 42 A CA 1.054 53.141 52.037 0.083 0.000 0.697 42 A CB -0.575 18.452 19.000 0.046 0.000 0.827 42 A HN 0.192 nan 8.150 nan 0.000 0.457 43 V N -2.501 117.479 119.914 0.111 0.000 2.358 43 V HA -0.182 3.937 4.120 -0.001 0.000 0.246 43 V C 2.156 178.373 176.094 0.204 0.000 1.047 43 V CA 2.094 64.479 62.300 0.141 0.000 1.035 43 V CB -1.230 30.625 31.823 0.053 0.000 0.658 43 V HN 0.400 nan 8.190 nan 0.000 0.452 44 F N 3.501 123.450 119.950 -0.000 0.000 2.025 44 F HA -0.224 4.302 4.527 -0.001 0.000 0.297 44 F C 2.704 178.500 175.800 -0.007 0.000 1.132 44 F CA 2.842 60.815 58.000 -0.044 0.000 1.191 44 F CB -0.907 38.021 39.000 -0.119 0.000 0.963 44 F HN 0.369 nan 8.300 nan 0.000 0.481 45 S N -1.090 114.897 115.700 0.478 0.000 2.595 45 S HA -0.172 4.298 4.470 -0.001 0.000 0.235 45 S C 1.634 176.334 174.600 0.167 0.000 0.974 45 S CA 0.677 59.069 58.200 0.319 0.000 0.942 45 S CB -1.301 62.058 63.200 0.264 0.000 0.766 45 S HN 0.684 nan 8.310 nan 0.000 0.536 46 Y N 1.885 122.227 120.300 0.070 0.000 2.186 46 Y HA 0.160 4.709 4.550 -0.001 0.000 0.286 46 Y C 2.282 178.230 175.900 0.081 0.000 1.109 46 Y CA 1.066 59.211 58.100 0.075 0.000 1.099 46 Y CB -0.702 37.804 38.460 0.076 0.000 1.030 46 Y HN 0.075 nan 8.280 nan 0.000 0.495 47 V N 0.183 120.078 119.914 -0.031 0.000 2.392 47 V HA -0.326 3.794 4.120 -0.001 0.000 0.249 47 V C 2.284 178.290 176.094 -0.147 0.000 1.059 47 V CA 2.498 64.739 62.300 -0.097 0.000 1.051 47 V CB -1.008 30.834 31.823 0.032 0.000 0.658 47 V HN 0.571 nan 8.190 nan 0.000 0.455 48 T N -0.130 114.249 114.554 -0.291 0.000 2.668 48 T HA -0.144 4.205 4.350 -0.001 0.000 0.262 48 T C 1.772 176.367 174.700 -0.174 0.000 1.045 48 T CA 1.740 63.616 62.100 -0.372 0.000 1.152 48 T CB -0.341 68.017 68.868 -0.850 0.000 0.864 48 T HN 0.537 nan 8.240 nan 0.000 0.419 49 N N 0.515 119.135 118.700 -0.133 0.000 2.270 49 N HA -0.043 4.696 4.740 -0.001 0.000 0.181 49 N C 1.833 177.319 175.510 -0.040 0.000 1.016 49 N CA 0.874 53.890 53.050 -0.056 0.000 0.870 49 N CB 0.009 38.484 38.487 -0.019 0.000 0.979 49 N HN 0.173 nan 8.380 nan 0.000 0.431 50 V N -0.879 118.961 119.914 -0.123 0.000 2.500 50 V HA -0.052 4.067 4.120 -0.001 0.000 0.243 50 V C 0.722 176.723 176.094 -0.155 0.000 1.039 50 V CA 1.061 63.255 62.300 -0.175 0.000 1.053 50 V CB -0.175 31.421 31.823 -0.379 0.000 0.695 50 V HN 0.343 nan 8.190 nan 0.000 0.463 51 W N -0.078 121.103 121.300 -0.200 0.000 2.846 51 W HA 0.460 5.119 4.660 -0.001 0.000 0.391 51 W C 1.967 178.219 176.519 -0.444 0.000 1.011 51 W CA 0.239 57.274 57.345 -0.515 0.000 1.832 51 W CB -0.322 28.810 29.460 -0.546 0.000 1.151 51 W HN 0.172 nan 8.180 nan 0.000 0.582 52 G N 1.330 110.169 108.800 0.065 0.000 2.476 52 G HA2 -0.362 3.597 3.960 -0.001 0.000 0.218 52 G HA3 -0.362 3.597 3.960 -0.001 0.000 0.218 52 G C 1.268 176.295 174.900 0.212 0.000 1.164 52 G CA 1.447 46.636 45.100 0.150 0.000 0.768 52 G HN 0.520 nan 8.290 nan 0.000 0.560 53 W N 1.795 123.223 121.300 0.212 0.000 2.325 53 W HA 0.080 4.740 4.660 -0.000 0.000 0.299 53 W C 2.358 179.156 176.519 0.466 0.000 1.215 53 W CA 1.751 59.295 57.345 0.332 0.000 1.244 53 W CB -0.718 28.943 29.460 0.334 0.000 1.140 53 W HN 0.258 nan 8.180 nan 0.000 0.523 54 A N 0.762 123.066 122.820 -0.859 0.000 1.892 54 A HA -0.179 4.141 4.320 -0.001 0.000 0.218 54 A C 1.938 179.520 177.584 -0.003 0.000 1.188 54 A CA 1.872 53.561 52.037 -0.580 0.000 0.631 54 A CB -1.507 16.882 19.000 -1.018 0.000 0.822 54 A HN 0.477 nan 8.150 nan 0.000 0.447 55 F N 0.320 120.276 119.950 0.009 0.000 2.269 55 F HA -0.153 4.374 4.527 -0.001 0.000 0.301 55 F C 2.536 178.556 175.800 0.367 0.000 1.082 55 F CA 1.631 59.738 58.000 0.179 0.000 1.360 55 F CB -0.055 39.008 39.000 0.106 0.000 1.041 55 F HN 0.356 nan 8.300 nan 0.000 0.512 56 E N -1.116 119.417 120.200 0.555 0.000 2.033 56 E HA -0.192 4.158 4.350 -0.001 0.000 0.189 56 E C 2.087 178.783 176.600 0.159 0.000 0.979 56 E CA 1.223 57.927 56.400 0.506 0.000 0.802 56 E CB -0.590 29.284 29.700 0.290 0.000 0.763 56 E HN 0.454 nan 8.360 nan 0.000 0.449 57 W N 0.962 122.433 121.300 0.285 0.000 2.318 57 W HA -0.274 4.385 4.660 -0.001 0.000 0.313 57 W C 2.359 178.964 176.519 0.143 0.000 1.221 57 W CA 1.479 58.963 57.345 0.232 0.000 1.266 57 W CB -0.803 28.848 29.460 0.319 0.000 1.150 57 W HN 0.193 nan 8.180 nan 0.000 0.496 58 Y N 0.471 120.934 120.300 0.272 0.000 2.030 58 Y HA -0.423 4.127 4.550 -0.000 0.000 0.272 58 Y C 2.388 178.231 175.900 -0.095 0.000 1.185 58 Y CA 2.444 60.568 58.100 0.041 0.000 1.120 58 Y CB -0.843 37.640 38.460 0.039 0.000 0.955 58 Y HN -0.164 nan 8.280 nan 0.000 0.495 59 M N -1.112 118.564 119.600 0.126 0.000 2.229 59 M HA -0.159 4.321 4.480 -0.001 0.000 0.264 59 M C 2.153 178.274 176.300 -0.297 0.000 1.063 59 M CA 1.067 56.209 55.300 -0.263 0.000 1.114 59 M CB -1.124 30.870 32.600 -1.009 0.000 1.387 59 M HN 0.288 nan 8.290 nan 0.000 0.420 60 V N -0.141 119.641 119.914 -0.220 0.000 2.295 60 V HA -0.207 3.913 4.120 -0.001 0.000 0.246 60 V C 2.567 178.653 176.094 -0.014 0.000 1.049 60 V CA 1.375 63.587 62.300 -0.148 0.000 1.024 60 V CB -0.578 31.109 31.823 -0.227 0.000 0.648 60 V HN 0.189 nan 8.190 nan 0.000 0.447 61 V N -0.856 119.048 119.914 -0.016 0.000 2.287 61 V HA -0.336 3.783 4.120 -0.001 0.000 0.248 61 V C 2.381 178.405 176.094 -0.117 0.000 1.053 61 V CA 2.475 64.740 62.300 -0.059 0.000 1.027 61 V CB -0.596 31.136 31.823 -0.151 0.000 0.646 61 V HN 0.478 nan 8.190 nan 0.000 0.447 62 M N -0.734 118.707 119.600 -0.264 0.000 2.358 62 M HA -0.093 4.387 4.480 -0.001 0.000 0.264 62 M C 1.763 178.074 176.300 0.018 0.000 1.064 62 M CA 1.422 56.593 55.300 -0.214 0.000 1.093 62 M CB -0.405 32.027 32.600 -0.279 0.000 1.401 62 M HN 0.218 nan 8.290 nan 0.000 0.440 63 L N -1.498 119.744 121.223 0.032 0.000 2.162 63 L HA -0.083 4.257 4.340 -0.001 0.000 0.205 63 L C 2.078 179.152 176.870 0.341 0.000 1.086 63 L CA 1.538 56.451 54.840 0.123 0.000 0.778 63 L CB -0.913 41.139 42.059 -0.013 0.000 0.928 63 L HN 0.331 nan 8.230 nan 0.000 0.446 64 F N 0.989 121.018 119.950 0.132 0.000 2.113 64 F HA -0.046 4.480 4.527 -0.001 0.000 0.297 64 F C 2.270 178.253 175.800 0.305 0.000 1.103 64 F CA 1.556 59.669 58.000 0.188 0.000 1.248 64 F CB -0.562 38.469 39.000 0.052 0.000 0.999 64 F HN 0.150 nan 8.300 nan 0.000 0.475 65 G N 0.272 109.269 108.800 0.329 0.000 2.732 65 G HA2 -0.446 3.514 3.960 -0.001 0.000 0.222 65 G HA3 -0.446 3.514 3.960 -0.001 0.000 0.222 65 G C 1.508 176.733 174.900 0.541 0.000 1.203 65 G CA 1.292 46.517 45.100 0.210 0.000 0.780 65 G HN 0.681 nan 8.290 nan 0.000 0.621 66 W N 0.470 121.957 121.300 0.312 0.000 2.325 66 W HA -0.057 4.602 4.660 -0.001 0.000 0.299 66 W C 2.324 178.933 176.519 0.150 0.000 1.215 66 W CA 1.491 58.979 57.345 0.238 0.000 1.244 66 W CB -0.278 29.274 29.460 0.153 0.000 1.140 66 W HN 0.165 nan 8.180 nan 0.000 0.523 67 F N -1.059 119.132 119.950 0.401 0.000 2.075 67 F HA -0.149 4.378 4.527 -0.001 0.000 0.297 67 F C 2.171 178.026 175.800 0.091 0.000 1.113 67 F CA 2.049 60.202 58.000 0.255 0.000 1.218 67 F CB -1.551 37.517 39.000 0.114 0.000 0.984 67 F HN -0.041 nan 8.300 nan 0.000 0.472 68 W N 0.335 121.618 121.300 -0.028 0.000 2.333 68 W HA -0.230 4.430 4.660 -0.001 0.000 0.316 68 W C 2.159 178.632 176.519 -0.077 0.000 1.215 68 W CA 1.346 58.670 57.345 -0.036 0.000 1.278 68 W CB -0.672 28.807 29.460 0.032 0.000 1.154 68 W HN -0.065 nan 8.180 nan 0.000 0.486 69 L N 0.015 121.357 121.223 0.199 0.000 2.263 69 L HA -0.184 4.155 4.340 -0.001 0.000 0.216 69 L C 2.073 178.688 176.870 -0.426 0.000 1.111 69 L CA 1.547 56.304 54.840 -0.138 0.000 0.773 69 L CB -0.969 41.059 42.059 -0.051 0.000 0.906 69 L HN -0.019 nan 8.230 nan 0.000 0.439 70 V N -2.757 116.838 119.914 -0.532 0.000 3.125 70 V HA -0.018 4.102 4.120 -0.001 0.000 0.249 70 V C 1.451 177.095 176.094 -0.750 0.000 1.113 70 V CA 0.967 62.780 62.300 -0.813 0.000 1.106 70 V CB 0.004 31.049 31.823 -1.296 0.000 0.768 70 V HN 0.299 nan 8.190 nan 0.000 0.468 71 F N -0.726 119.055 119.950 -0.282 0.000 2.746 71 F HA 0.454 4.981 4.527 -0.001 0.000 0.313 71 F C 1.657 177.302 175.800 -0.257 0.000 1.095 71 F CA 0.376 58.258 58.000 -0.196 0.000 1.224 71 F CB 0.470 39.428 39.000 -0.069 0.000 1.060 71 F HN 0.191 nan 8.300 nan 0.000 0.584 72 G N 0.585 109.196 108.800 -0.313 0.000 2.829 72 G HA2 0.243 4.203 3.960 -0.001 0.000 0.173 72 G HA3 0.243 4.203 3.960 -0.001 0.000 0.173 72 G C -1.593 172.984 174.900 -0.537 0.000 1.476 72 G CA -0.349 44.428 45.100 -0.537 0.000 1.072 72 G HN -0.131 nan 8.290 nan 0.000 0.577 73 P HA -0.105 nan 4.420 nan 0.000 0.200 73 P C 1.083 178.156 177.300 -0.377 0.000 1.007 73 P CA 1.162 63.968 63.100 -0.491 0.000 0.916 73 P CB -0.265 31.047 31.700 -0.648 0.000 0.696 74 Y N -0.575 119.417 120.300 -0.515 0.000 2.751 74 Y HA 0.217 4.767 4.550 -0.001 0.000 0.310 74 Y C 1.482 177.225 175.900 -0.261 0.000 1.176 74 Y CA -0.630 57.237 58.100 -0.388 0.000 1.360 74 Y CB -2.289 35.722 38.460 -0.747 0.000 0.999 74 Y HN -0.086 nan 8.280 nan 0.000 0.532 75 A N 0.592 123.273 122.820 -0.231 0.000 2.364 75 A HA 0.203 4.522 4.320 -0.001 0.000 0.258 75 A C 1.619 179.141 177.584 -0.103 0.000 1.131 75 A CA -0.037 51.866 52.037 -0.222 0.000 0.800 75 A CB 0.076 18.887 19.000 -0.316 0.000 1.086 75 A HN 0.300 nan 8.150 nan 0.000 0.508 76 K N -2.071 118.249 120.400 -0.134 0.000 3.281 76 K HA -0.172 4.148 4.320 -0.001 0.000 0.308 76 K C -0.337 176.256 176.600 -0.011 0.000 1.218 76 K CA 1.951 58.188 56.287 -0.083 0.000 0.923 76 K CB -1.039 31.416 32.500 -0.075 0.000 1.222 76 K HN 0.685 nan 8.250 nan 0.000 0.440 77 K N 1.083 121.517 120.400 0.058 0.000 2.575 77 K HA 0.270 4.590 4.320 -0.001 0.000 0.236 77 K C -0.922 175.758 176.600 0.134 0.000 0.976 77 K CA -0.728 55.639 56.287 0.133 0.000 0.985 77 K CB 0.781 33.481 32.500 0.334 0.000 1.198 77 K HN 0.039 nan 8.250 nan 0.000 0.464 78 R N 3.426 123.942 120.500 0.027 0.000 4.470 78 R HA -0.158 4.182 4.340 -0.001 0.000 0.158 78 R C 0.099 176.432 176.300 0.055 0.000 0.332 78 R CA 0.259 56.361 56.100 0.002 0.000 0.887 78 R CB -0.351 29.920 30.300 -0.048 0.000 0.993 78 R HN 0.589 nan 8.270 nan 0.000 0.256 79 L N 4.521 125.816 121.223 0.120 0.000 2.679 79 L HA 0.157 4.497 4.340 -0.001 0.000 0.241 79 L C 0.806 177.812 176.870 0.226 0.000 1.441 79 L CA 1.882 56.857 54.840 0.226 0.000 1.181 79 L CB -1.701 40.480 42.059 0.204 0.000 1.451 79 L HN 0.948 nan 8.230 nan 0.000 0.446 80 G N 1.951 110.829 108.800 0.131 0.000 2.318 80 G HA2 -0.191 3.769 3.960 -0.001 0.000 0.367 80 G HA3 -0.191 3.769 3.960 -0.001 0.000 0.367 80 G C -0.199 174.696 174.900 -0.009 0.000 1.260 80 G CA -0.496 44.674 45.100 0.116 0.000 1.055 80 G HN 0.402 nan 8.290 nan 0.000 0.484 81 N N 0.120 118.801 118.700 -0.032 0.000 2.255 81 N HA 0.142 4.882 4.740 -0.001 0.000 0.260 81 N C 1.405 176.862 175.510 -0.088 0.000 1.288 81 N CA 0.595 53.601 53.050 -0.073 0.000 0.894 81 N CB 0.140 38.575 38.487 -0.086 0.000 1.033 81 N HN 0.726 nan 8.380 nan 0.000 0.477 82 E N 0.674 120.818 120.200 -0.094 0.000 2.028 82 E HA 0.010 4.360 4.350 -0.001 0.000 0.190 82 E C -1.877 174.656 176.600 -0.112 0.000 0.984 82 E CA 0.833 57.177 56.400 -0.093 0.000 0.800 82 E CB -1.110 28.540 29.700 -0.082 0.000 0.758 82 E HN 0.464 nan 8.360 nan 0.000 0.448 83 P HA 0.322 nan 4.420 nan 0.000 0.298 83 P C -2.746 174.453 177.300 -0.168 0.000 1.365 83 P CA -2.126 60.891 63.100 -0.138 0.000 0.835 83 P CB 1.343 32.963 31.700 -0.134 0.000 0.948 84 P HA 0.164 nan 4.420 nan 0.000 0.269 84 P C 0.817 178.028 177.300 -0.147 0.000 1.252 84 P CA 0.195 63.199 63.100 -0.160 0.000 0.780 84 P CB 0.464 32.065 31.700 -0.164 0.000 0.829 85 E N 1.655 121.751 120.200 -0.173 0.000 2.267 85 E HA -0.104 4.245 4.350 -0.001 0.000 0.197 85 E C -0.080 176.134 176.600 -0.643 0.000 0.998 85 E CA 1.058 57.216 56.400 -0.402 0.000 0.830 85 E CB -0.117 29.286 29.700 -0.495 0.000 0.751 85 E HN 0.437 nan 8.360 nan 0.000 0.491 86 F N -1.046 118.855 119.950 -0.081 0.000 2.603 86 F HA 0.264 4.790 4.527 -0.001 0.000 0.317 86 F C 0.399 176.188 175.800 -0.018 0.000 1.066 86 F CA -1.400 56.589 58.000 -0.018 0.000 0.941 86 F CB 1.281 40.309 39.000 0.047 0.000 1.291 86 F HN -0.303 nan 8.300 nan 0.000 0.472 87 S N -1.101 114.723 115.700 0.206 0.000 2.614 87 S HA 0.216 4.685 4.470 -0.001 0.000 0.265 87 S C 1.195 175.922 174.600 0.211 0.000 1.303 87 S CA 0.095 58.376 58.200 0.135 0.000 1.000 87 S CB 1.157 64.412 63.200 0.091 0.000 0.935 87 S HN 0.884 nan 8.310 nan 0.000 0.551 88 T N -0.044 114.617 114.554 0.177 0.000 2.635 88 T HA -0.196 4.153 4.350 -0.001 0.000 0.267 88 T C 2.036 176.930 174.700 0.323 0.000 1.040 88 T CA 1.506 63.787 62.100 0.302 0.000 1.156 88 T CB -1.372 67.631 68.868 0.225 0.000 0.863 88 T HN 0.995 nan 8.240 nan 0.000 0.430 89 A N 1.657 124.590 122.820 0.188 0.000 1.933 89 A HA -0.023 4.296 4.320 -0.001 0.000 0.218 89 A C 2.728 180.413 177.584 0.169 0.000 1.175 89 A CA 2.078 54.197 52.037 0.136 0.000 0.628 89 A CB -1.116 17.923 19.000 0.064 0.000 0.814 89 A HN 0.591 nan 8.150 nan 0.000 0.444 90 S N -1.528 114.286 115.700 0.190 0.000 2.382 90 S HA -0.201 4.269 4.470 -0.001 0.000 0.228 90 S C 1.508 176.276 174.600 0.280 0.000 1.027 90 S CA 1.351 59.683 58.200 0.220 0.000 0.991 90 S CB -0.500 62.845 63.200 0.243 0.000 0.823 90 S HN 0.831 nan 8.310 nan 0.000 0.469 91 W N 3.586 124.931 121.300 0.075 0.000 2.333 91 W HA -0.146 4.514 4.660 -0.001 0.000 0.316 91 W C 1.989 178.518 176.519 0.016 0.000 1.215 91 W CA 1.478 58.819 57.345 -0.007 0.000 1.278 91 W CB -0.764 28.705 29.460 0.014 0.000 1.154 91 W HN 0.363 nan 8.180 nan 0.000 0.486 92 I N -2.087 118.439 120.570 -0.074 0.000 2.286 92 I HA -0.200 3.970 4.170 -0.001 0.000 0.248 92 I C 2.440 178.510 176.117 -0.079 0.000 1.115 92 I CA 1.906 63.052 61.300 -0.257 0.000 1.392 92 I CB -1.329 36.581 38.000 -0.150 0.000 1.065 92 I HN 0.039 nan 8.210 nan 0.000 0.418 93 F N 1.586 121.492 119.950 -0.074 0.000 2.186 93 F HA -0.070 4.457 4.527 -0.001 0.000 0.299 93 F C 2.472 178.295 175.800 0.040 0.000 1.090 93 F CA 1.544 59.536 58.000 -0.013 0.000 1.307 93 F CB -0.142 38.838 39.000 -0.033 0.000 1.019 93 F HN -0.083 nan 8.300 nan 0.000 0.489 94 M N -0.528 119.168 119.600 0.160 0.000 2.195 94 M HA -0.291 4.188 4.480 -0.001 0.000 0.260 94 M C 2.072 178.361 176.300 -0.019 0.000 1.066 94 M CA 1.736 57.080 55.300 0.072 0.000 1.089 94 M CB -0.440 32.145 32.600 -0.026 0.000 1.377 94 M HN 0.316 nan 8.290 nan 0.000 0.411 95 M N -1.651 117.876 119.600 -0.122 0.000 2.216 95 M HA -0.117 4.362 4.480 -0.001 0.000 0.264 95 M C 2.072 178.237 176.300 -0.225 0.000 1.080 95 M CA 1.324 56.518 55.300 -0.177 0.000 1.153 95 M CB -0.469 31.933 32.600 -0.330 0.000 1.356 95 M HN 0.111 nan 8.290 nan 0.000 0.432 96 F N 1.246 120.964 119.950 -0.387 0.000 2.192 96 F HA -0.232 4.295 4.527 -0.001 0.000 0.301 96 F C 2.141 177.736 175.800 -0.342 0.000 1.079 96 F CA 1.740 59.487 58.000 -0.420 0.000 1.303 96 F CB 0.013 38.683 39.000 -0.549 0.000 1.024 96 F HN 0.081 nan 8.300 nan 0.000 0.494 97 A N -1.294 121.378 122.820 -0.248 0.000 2.267 97 A HA 0.093 4.413 4.320 -0.001 0.000 0.213 97 A C 2.014 179.527 177.584 -0.118 0.000 1.192 97 A CA 0.623 52.580 52.037 -0.134 0.000 0.851 97 A CB -0.820 17.994 19.000 -0.310 0.000 0.881 97 A HN 0.359 nan 8.150 nan 0.000 0.494 98 S N -0.544 115.073 115.700 -0.139 0.000 2.447 98 S HA -0.115 4.355 4.470 -0.001 0.000 0.233 98 S C 1.139 175.594 174.600 -0.242 0.000 1.006 98 S CA 0.426 58.526 58.200 -0.167 0.000 0.957 98 S CB -1.641 61.450 63.200 -0.181 0.000 0.773 98 S HN 0.874 nan 8.310 nan 0.000 0.507 99 C N 2.991 122.170 119.300 -0.201 0.000 2.523 99 C HA 0.429 4.888 4.460 -0.001 0.000 0.406 99 C C 1.489 176.370 174.990 -0.181 0.000 1.449 99 C CA 0.730 59.646 59.018 -0.170 0.000 1.588 99 C CB -0.538 27.136 27.740 -0.111 0.000 2.514 99 C HN 0.572 nan 8.230 nan 0.000 0.606 100 T N 2.997 117.437 114.554 -0.190 0.000 3.186 100 T HA 0.234 4.584 4.350 -0.001 0.000 0.292 100 T C 0.274 174.874 174.700 -0.167 0.000 0.915 100 T CA 0.391 62.382 62.100 -0.181 0.000 0.902 100 T CB -0.215 68.541 68.868 -0.187 0.000 1.192 100 T HN 0.803 nan 8.240 nan 0.000 0.563 101 S N -0.115 115.492 115.700 -0.156 0.000 2.617 101 S HA 0.771 5.241 4.470 -0.001 0.000 0.283 101 S C 1.168 175.720 174.600 -0.081 0.000 1.189 101 S CA 0.002 58.130 58.200 -0.119 0.000 1.036 101 S CB 1.346 64.474 63.200 -0.121 0.000 1.014 101 S HN 0.435 nan 8.310 nan 0.000 0.522 102 A N 2.725 125.521 122.820 -0.040 0.000 2.197 102 A HA 0.495 4.814 4.320 -0.001 0.000 0.210 102 A C 1.911 179.532 177.584 0.062 0.000 1.180 102 A CA 0.755 52.792 52.037 -0.000 0.000 0.846 102 A CB -0.711 18.296 19.000 0.011 0.000 0.884 102 A HN 0.996 nan 8.150 nan 0.000 0.487 103 A N -0.294 122.581 122.820 0.092 0.000 2.125 103 A HA 0.052 4.372 4.320 -0.001 0.000 0.219 103 A C 2.035 179.746 177.584 0.212 0.000 1.156 103 A CA 1.508 53.632 52.037 0.145 0.000 0.671 103 A CB -0.621 18.616 19.000 0.393 0.000 0.794 103 A HN 0.315 nan 8.150 nan 0.000 0.459 104 V N -0.041 119.931 119.914 0.096 0.000 2.343 104 V HA -0.239 3.881 4.120 -0.001 0.000 0.247 104 V C 2.475 178.421 176.094 -0.247 0.000 1.051 104 V CA 2.099 64.347 62.300 -0.087 0.000 1.036 104 V CB -0.474 31.270 31.823 -0.132 0.000 0.654 104 V HN 0.645 nan 8.190 nan 0.000 0.451 105 L N -1.524 119.652 121.223 -0.078 0.000 2.201 105 L HA -0.135 4.205 4.340 -0.001 0.000 0.212 105 L C 2.200 179.185 176.870 0.192 0.000 1.105 105 L CA 1.424 56.288 54.840 0.040 0.000 0.775 105 L CB -0.595 41.528 42.059 0.106 0.000 0.913 105 L HN 0.367 nan 8.230 nan 0.000 0.440 106 F N 0.181 120.089 119.950 -0.069 0.000 2.039 106 F HA -0.230 4.296 4.527 -0.001 0.000 0.294 106 F C 2.092 177.781 175.800 -0.185 0.000 1.130 106 F CA 1.633 59.504 58.000 -0.215 0.000 1.189 106 F CB -0.307 38.393 39.000 -0.500 0.000 0.983 106 F HN -0.066 nan 8.300 nan 0.000 0.471 107 W N 0.311 121.920 121.300 0.514 0.000 2.388 107 W HA 0.048 4.708 4.660 -0.000 0.000 0.294 107 W C 2.360 178.867 176.519 -0.021 0.000 1.212 107 W CA 0.653 58.279 57.345 0.469 0.000 1.271 107 W CB -1.094 28.735 29.460 0.617 0.000 1.126 107 W HN 0.118 nan 8.180 nan 0.000 0.535 108 G N -0.655 107.872 108.800 -0.454 0.000 3.186 108 G HA2 0.079 4.039 3.960 -0.001 0.000 0.214 108 G HA3 0.079 4.039 3.960 -0.001 0.000 0.214 108 G C 0.894 175.632 174.900 -0.269 0.000 1.222 108 G CA 0.687 45.173 45.100 -1.023 0.000 0.921 108 G HN 0.178 nan 8.290 nan 0.000 0.504 109 S N -0.587 115.071 115.700 -0.069 0.000 3.171 109 S HA 0.063 4.533 4.470 -0.001 0.000 0.258 109 S C 1.604 176.169 174.600 -0.059 0.000 1.083 109 S CA 0.290 58.456 58.200 -0.056 0.000 0.801 109 S CB 0.111 63.201 63.200 -0.183 0.000 0.831 109 S HN 0.358 nan 8.310 nan 0.000 0.462 110 I N 0.928 121.485 120.570 -0.020 0.000 3.968 110 I HA 0.408 4.577 4.170 -0.001 0.000 0.328 110 I C 1.639 177.965 176.117 0.348 0.000 1.290 110 I CA 0.339 61.708 61.300 0.115 0.000 1.163 110 I CB -0.376 37.667 38.000 0.072 0.000 1.024 110 I HN 0.100 nan 8.210 nan 0.000 0.413 111 E N 1.789 122.178 120.200 0.315 0.000 2.033 111 E HA -0.262 4.088 4.350 -0.001 0.000 0.199 111 E C 2.208 178.653 176.600 -0.257 0.000 1.011 111 E CA 2.040 58.490 56.400 0.082 0.000 0.815 111 E CB -0.124 29.758 29.700 0.304 0.000 0.755 111 E HN 0.642 nan 8.360 nan 0.000 0.451 112 I N 0.500 121.130 120.570 0.099 0.000 2.335 112 I HA -0.295 3.874 4.170 -0.001 0.000 0.251 112 I C 2.288 178.521 176.117 0.194 0.000 1.129 112 I CA 1.193 62.650 61.300 0.262 0.000 1.402 112 I CB -0.131 38.092 38.000 0.372 0.000 1.069 112 I HN 0.291 nan 8.210 nan 0.000 0.424 113 Y N 0.468 120.794 120.300 0.044 0.000 2.181 113 Y HA -0.320 4.230 4.550 -0.000 0.000 0.288 113 Y C 1.991 177.875 175.900 -0.026 0.000 1.146 113 Y CA 1.759 59.837 58.100 -0.036 0.000 1.164 113 Y CB -0.781 37.580 38.460 -0.164 0.000 0.982 113 Y HN 0.167 nan 8.280 nan 0.000 0.515 114 Y N -0.740 119.422 120.300 -0.229 0.000 2.293 114 Y HA -0.213 4.336 4.550 -0.001 0.000 0.291 114 Y C 2.253 178.147 175.900 -0.010 0.000 1.137 114 Y CA 1.809 59.800 58.100 -0.181 0.000 1.202 114 Y CB -0.862 37.762 38.460 0.273 0.000 0.990 114 Y HN 0.251 nan 8.280 nan 0.000 0.537 115 Y N -0.215 120.185 120.300 0.166 0.000 2.242 115 Y HA -0.216 4.334 4.550 -0.000 0.000 0.291 115 Y C 2.306 178.189 175.900 -0.027 0.000 1.137 115 Y CA 0.956 59.095 58.100 0.065 0.000 1.181 115 Y CB -0.243 38.252 38.460 0.058 0.000 0.989 115 Y HN 0.118 nan 8.280 nan 0.000 0.527 116 I N -2.204 118.438 120.570 0.120 0.000 2.876 116 I HA -0.075 4.094 4.170 -0.001 0.000 0.264 116 I C 1.899 177.986 176.117 -0.051 0.000 1.204 116 I CA 1.161 62.484 61.300 0.038 0.000 1.485 116 I CB -0.552 37.491 38.000 0.072 0.000 1.103 116 I HN 0.085 nan 8.210 nan 0.000 0.446 117 S N 0.308 115.910 115.700 -0.163 0.000 2.404 117 S HA 0.063 4.532 4.470 -0.001 0.000 0.223 117 S C 1.098 175.656 174.600 -0.070 0.000 1.040 117 S CA 0.260 58.346 58.200 -0.190 0.000 0.957 117 S CB -0.408 62.504 63.200 -0.480 0.000 0.826 117 S HN 0.398 nan 8.310 nan 0.000 0.491 118 T N 4.586 119.141 114.554 0.003 0.000 2.963 118 T HA 0.519 4.868 4.350 -0.001 0.000 0.343 118 T C -2.886 171.790 174.700 -0.039 0.000 1.146 118 T CA -1.419 60.708 62.100 0.043 0.000 1.016 118 T CB 1.591 70.553 68.868 0.156 0.000 1.046 118 T HN 0.158 nan 8.240 nan 0.000 0.496 119 P HA 0.356 nan 4.420 nan 0.000 0.276 119 P C -2.408 174.480 177.300 -0.687 0.000 1.252 119 P CA -1.682 61.225 63.100 -0.322 0.000 0.802 119 P CB 0.015 31.609 31.700 -0.177 0.000 1.035 120 P HA 0.143 nan 4.420 nan 0.000 0.277 120 P C -0.215 176.764 177.300 -0.534 0.000 1.276 120 P CA -0.034 62.350 63.100 -1.193 0.000 0.788 120 P CB 0.085 30.791 31.700 -1.656 0.000 1.114 121 F N -2.382 117.499 119.950 -0.115 0.000 2.953 121 F HA -0.162 4.365 4.527 -0.000 0.000 0.292 121 F C 1.431 177.202 175.800 -0.048 0.000 0.747 121 F CA 1.333 59.267 58.000 -0.110 0.000 1.222 121 F CB -2.924 35.936 39.000 -0.233 0.000 1.457 121 F HN 0.675 nan 8.300 nan 0.000 0.383 122 G N -0.228 108.629 108.800 0.096 0.000 2.166 122 G HA2 -0.338 3.621 3.960 -0.001 0.000 0.260 122 G HA3 -0.338 3.621 3.960 -0.001 0.000 0.260 122 G C 0.356 175.278 174.900 0.037 0.000 0.986 122 G CA 0.256 45.393 45.100 0.063 0.000 0.683 122 G HN 0.596 nan 8.290 nan 0.000 0.527 123 L N -0.012 121.226 121.223 0.025 0.000 2.483 123 L HA 0.376 4.715 4.340 -0.001 0.000 0.276 123 L C 1.002 177.868 176.870 -0.008 0.000 1.213 123 L CA -0.195 54.651 54.840 0.009 0.000 0.843 123 L CB 0.401 42.461 42.059 0.001 0.000 1.107 123 L HN 0.196 nan 8.230 nan 0.000 0.487 124 E N 2.993 123.193 120.200 0.000 0.000 2.338 124 E HA 0.161 4.511 4.350 -0.001 0.000 0.272 124 E C -2.235 174.361 176.600 -0.007 0.000 1.029 124 E CA -1.622 54.778 56.400 -0.001 0.000 0.872 124 E CB 0.722 30.424 29.700 0.005 0.000 1.015 124 E HN 0.289 nan 8.360 nan 0.000 0.417 125 P HA -0.108 nan 4.420 nan 0.000 0.264 125 P C -0.481 176.814 177.300 -0.009 0.000 1.183 125 P CA 0.577 63.668 63.100 -0.016 0.000 0.763 125 P CB 0.398 32.090 31.700 -0.013 0.000 0.807 126 N N -1.356 117.339 118.700 -0.009 0.000 2.929 126 N HA -0.171 4.569 4.740 -0.001 0.000 0.234 126 N C 0.082 175.597 175.510 0.009 0.000 0.908 126 N CA 1.367 54.418 53.050 0.003 0.000 0.993 126 N CB -1.581 36.908 38.487 0.003 0.000 1.075 126 N HN 0.642 nan 8.380 nan 0.000 0.603 127 S N -0.315 115.390 115.700 0.008 0.000 2.563 127 S HA 0.012 4.482 4.470 -0.001 0.000 0.269 127 S C 1.539 176.151 174.600 0.021 0.000 1.364 127 S CA 0.772 58.979 58.200 0.012 0.000 1.010 127 S CB 1.376 64.583 63.200 0.011 0.000 0.877 127 S HN 0.290 nan 8.310 nan 0.000 0.549 128 T N 1.553 116.120 114.554 0.021 0.000 2.759 128 T HA -0.046 4.304 4.350 -0.001 0.000 0.269 128 T C 1.880 176.605 174.700 0.042 0.000 1.042 128 T CA 2.039 64.157 62.100 0.030 0.000 1.140 128 T CB -1.323 67.560 68.868 0.026 0.000 0.864 128 T HN 0.840 nan 8.240 nan 0.000 0.455 129 G N 0.335 109.156 108.800 0.035 0.000 2.404 129 G HA2 0.048 4.008 3.960 -0.001 0.000 0.215 129 G HA3 0.048 4.008 3.960 -0.001 0.000 0.215 129 G C 1.939 176.859 174.900 0.034 0.000 1.174 129 G CA 0.958 46.079 45.100 0.036 0.000 0.780 129 G HN 0.643 nan 8.290 nan 0.000 0.537 130 A N 1.341 124.175 122.820 0.024 0.000 1.884 130 A HA -0.176 4.144 4.320 -0.001 0.000 0.219 130 A C 2.279 179.901 177.584 0.063 0.000 1.197 130 A CA 2.285 54.333 52.037 0.018 0.000 0.637 130 A CB -0.534 18.471 19.000 0.007 0.000 0.827 130 A HN 0.403 nan 8.150 nan 0.000 0.450 131 K N -0.525 119.926 120.400 0.085 0.000 2.211 131 K HA -0.161 4.159 4.320 -0.001 0.000 0.204 131 K C 1.830 178.562 176.600 0.221 0.000 1.047 131 K CA 1.535 57.906 56.287 0.141 0.000 0.935 131 K CB -0.162 32.393 32.500 0.092 0.000 0.728 131 K HN 0.658 nan 8.250 nan 0.000 0.452 132 E N 0.518 120.813 120.200 0.159 0.000 2.274 132 E HA -0.061 4.288 4.350 -0.001 0.000 0.194 132 E C 1.554 178.221 176.600 0.112 0.000 0.996 132 E CA 0.497 57.004 56.400 0.178 0.000 0.840 132 E CB 0.189 29.952 29.700 0.104 0.000 0.772 132 E HN 0.209 nan 8.360 nan 0.000 0.491 133 L N -0.361 120.899 121.223 0.061 0.000 2.640 133 L HA 0.174 4.513 4.340 -0.001 0.000 0.230 133 L C 1.823 178.704 176.870 0.018 0.000 1.123 133 L CA -0.115 54.712 54.840 -0.022 0.000 0.900 133 L CB 0.139 42.144 42.059 -0.090 0.000 1.146 133 L HN 0.160 nan 8.230 nan 0.000 0.484 134 G N 0.688 109.574 108.800 0.143 0.000 2.575 134 G HA2 -0.322 3.637 3.960 -0.001 0.000 0.215 134 G HA3 -0.322 3.637 3.960 -0.001 0.000 0.215 134 G C 1.334 176.382 174.900 0.246 0.000 1.262 134 G CA 0.868 46.130 45.100 0.269 0.000 0.807 134 G HN 0.268 nan 8.290 nan 0.000 0.567 135 L N 1.586 122.899 121.223 0.150 0.000 2.043 135 L HA -0.021 4.318 4.340 -0.001 0.000 0.212 135 L C 3.059 179.878 176.870 -0.085 0.000 1.075 135 L CA 2.430 57.269 54.840 -0.001 0.000 0.752 135 L CB -0.766 41.024 42.059 -0.449 0.000 0.891 135 L HN 0.283 nan 8.230 nan 0.000 0.432 136 A N -1.557 121.150 122.820 -0.188 0.000 1.940 136 A HA -0.293 4.026 4.320 -0.001 0.000 0.219 136 A C 2.258 179.741 177.584 -0.169 0.000 1.176 136 A CA 1.995 53.894 52.037 -0.231 0.000 0.631 136 A CB -1.210 17.649 19.000 -0.235 0.000 0.814 136 A HN 0.630 nan 8.150 nan 0.000 0.446 137 Y N -0.012 120.144 120.300 -0.240 0.000 2.516 137 Y HA -0.080 4.470 4.550 -0.001 0.000 0.291 137 Y C 2.793 178.638 175.900 -0.092 0.000 1.131 137 Y CA 1.092 58.985 58.100 -0.345 0.000 1.281 137 Y CB 0.180 38.164 38.460 -0.793 0.000 1.013 137 Y HN 0.344 nan 8.280 nan 0.000 0.554 138 S N -0.282 115.584 115.700 0.277 0.000 2.357 138 S HA -0.129 4.340 4.470 -0.001 0.000 0.221 138 S C 1.727 176.462 174.600 0.225 0.000 1.031 138 S CA 0.796 59.232 58.200 0.393 0.000 0.982 138 S CB -0.343 63.141 63.200 0.472 0.000 0.853 138 S HN 0.223 nan 8.310 nan 0.000 0.458 139 L N 0.870 122.150 121.223 0.094 0.000 2.187 139 L HA -0.039 4.301 4.340 -0.001 0.000 0.213 139 L C 1.665 178.718 176.870 0.306 0.000 1.100 139 L CA 1.388 56.303 54.840 0.125 0.000 0.765 139 L CB -1.134 40.705 42.059 -0.366 0.000 0.904 139 L HN 0.324 nan 8.230 nan 0.000 0.437 140 F N -0.332 119.570 119.950 -0.079 0.000 2.044 140 F HA -0.186 4.341 4.527 -0.001 0.000 0.287 140 F C 2.704 178.369 175.800 -0.224 0.000 1.155 140 F CA 1.226 59.103 58.000 -0.205 0.000 1.152 140 F CB -0.371 38.343 39.000 -0.475 0.000 1.013 140 F HN 0.112 nan 8.300 nan 0.000 0.478 141 H N -1.312 117.617 119.070 -0.236 0.000 2.523 141 H HA -0.223 4.332 4.556 -0.000 0.000 0.296 141 H C 0.148 174.703 175.328 -1.288 0.000 1.106 141 H CA 1.703 57.327 56.048 -0.707 0.000 1.230 141 H CB -0.737 28.787 29.762 -0.398 0.000 1.359 141 H HN 0.509 nan 8.280 nan 0.000 0.552 142 W N -0.698 120.338 121.300 -0.441 0.000 1.686 142 W HA 0.444 5.103 4.660 -0.001 0.000 0.263 142 W C 1.108 177.431 176.519 -0.328 0.000 0.860 142 W CA 0.054 57.065 57.345 -0.556 0.000 1.635 142 W CB 0.176 29.050 29.460 -0.977 0.000 0.998 142 W HN 0.024 nan 8.180 nan 0.000 0.464 143 G N 0.726 109.426 108.800 -0.167 0.000 2.940 143 G HA2 0.347 4.306 3.960 -0.001 0.000 0.164 143 G HA3 0.347 4.306 3.960 -0.001 0.000 0.164 143 G C -1.767 172.933 174.900 -0.334 0.000 1.326 143 G CA -0.663 44.311 45.100 -0.210 0.000 1.020 143 G HN -0.316 nan 8.290 nan 0.000 0.586 144 P HA -0.028 nan 4.420 nan 0.000 0.215 144 P C 2.201 179.279 177.300 -0.371 0.000 1.157 144 P CA 0.991 63.896 63.100 -0.325 0.000 0.863 144 P CB 0.027 31.498 31.700 -0.381 0.000 0.787 145 L N 0.160 121.129 121.223 -0.424 0.000 1.976 145 L HA -0.158 4.182 4.340 -0.001 0.000 0.223 145 L C -0.279 176.203 176.870 -0.648 0.000 1.081 145 L CA 2.943 57.490 54.840 -0.489 0.000 0.784 145 L CB -3.787 37.966 42.059 -0.511 0.000 0.896 145 L HN 0.151 nan 8.230 nan 0.000 0.438 146 P HA -0.203 nan 4.420 nan 0.000 0.218 146 P C 1.892 178.609 177.300 -0.972 0.000 1.149 146 P CA 1.605 63.790 63.100 -1.524 0.000 0.817 146 P CB -0.187 29.791 31.700 -2.871 0.000 0.785 147 W N 0.403 121.373 121.300 -0.550 0.000 2.467 147 W HA 0.077 4.736 4.660 -0.001 0.000 0.275 147 W C 2.603 179.041 176.519 -0.135 0.000 1.239 147 W CA 0.444 57.674 57.345 -0.192 0.000 1.266 147 W CB -0.450 28.916 29.460 -0.156 0.000 1.112 147 W HN -0.058 nan 8.180 nan 0.000 0.576 148 A N -0.048 122.755 122.820 -0.028 0.000 2.014 148 A HA -0.168 4.152 4.320 -0.001 0.000 0.218 148 A C 1.814 179.511 177.584 0.188 0.000 1.163 148 A CA 1.827 53.853 52.037 -0.018 0.000 0.652 148 A CB -1.285 17.415 19.000 -0.501 0.000 0.808 148 A HN 0.261 nan 8.150 nan 0.000 0.449 149 T N -4.298 110.294 114.554 0.064 0.000 3.163 149 T HA -0.002 4.347 4.350 -0.001 0.000 0.260 149 T C 1.335 176.327 174.700 0.488 0.000 1.156 149 T CA 0.722 62.917 62.100 0.158 0.000 1.072 149 T CB -0.435 68.412 68.868 -0.034 0.000 0.937 149 T HN 0.391 nan 8.240 nan 0.000 0.528 150 Y N 1.360 121.825 120.300 0.276 0.000 2.441 150 Y HA 0.329 4.879 4.550 -0.001 0.000 0.288 150 Y C 2.881 178.935 175.900 0.257 0.000 1.118 150 Y CA -0.918 57.355 58.100 0.289 0.000 1.215 150 Y CB -0.705 37.968 38.460 0.355 0.000 1.118 150 Y HN 0.207 nan 8.280 nan 0.000 0.547 151 S N 0.682 116.660 115.700 0.464 0.000 2.390 151 S HA -0.291 4.178 4.470 -0.001 0.000 0.234 151 S C 1.900 176.620 174.600 0.199 0.000 1.063 151 S CA 2.045 60.451 58.200 0.342 0.000 1.108 151 S CB -0.850 62.629 63.200 0.466 0.000 0.975 151 S HN 0.361 nan 8.310 nan 0.000 0.442 152 F N 1.511 121.527 119.950 0.110 0.000 2.010 152 F HA -0.082 4.444 4.527 -0.001 0.000 0.296 152 F C 2.073 177.788 175.800 -0.142 0.000 1.146 152 F CA 1.465 59.449 58.000 -0.027 0.000 1.181 152 F CB -0.484 38.518 39.000 0.004 0.000 0.965 152 F HN 0.098 nan 8.300 nan 0.000 0.480 153 L N -0.929 120.387 121.223 0.155 0.000 2.447 153 L HA -0.221 4.119 4.340 -0.001 0.000 0.225 153 L C 2.206 179.098 176.870 0.036 0.000 1.148 153 L CA 0.702 55.594 54.840 0.088 0.000 0.808 153 L CB -0.772 41.381 42.059 0.157 0.000 0.928 153 L HN 0.157 nan 8.230 nan 0.000 0.448 154 S N -0.436 115.264 115.700 -0.001 0.000 2.317 154 S HA -0.107 4.363 4.470 -0.001 0.000 0.212 154 S C 2.006 176.524 174.600 -0.137 0.000 1.030 154 S CA 0.842 59.038 58.200 -0.007 0.000 0.970 154 S CB -0.198 63.053 63.200 0.085 0.000 0.928 154 S HN 0.114 nan 8.310 nan 0.000 0.451 155 V N 2.722 122.505 119.914 -0.218 0.000 2.370 155 V HA -0.291 3.829 4.120 -0.001 0.000 0.252 155 V C 2.441 178.146 176.094 -0.649 0.000 1.068 155 V CA 1.773 63.871 62.300 -0.337 0.000 1.061 155 V CB -1.444 30.164 31.823 -0.359 0.000 0.656 155 V HN 0.519 nan 8.190 nan 0.000 0.455 156 A N -0.038 122.114 122.820 -1.113 0.000 1.873 156 A HA -0.231 4.088 4.320 -0.001 0.000 0.211 156 A C 1.920 179.031 177.584 -0.788 0.000 1.218 156 A CA 2.122 53.274 52.037 -1.474 0.000 0.659 156 A CB -1.160 17.132 19.000 -1.180 0.000 0.853 156 A HN 0.417 nan 8.150 nan 0.000 0.466 157 F N 0.113 119.707 119.950 -0.593 0.000 2.354 157 F HA -0.207 4.319 4.527 -0.001 0.000 0.300 157 F C 2.444 177.697 175.800 -0.913 0.000 1.052 157 F CA 1.142 58.790 58.000 -0.587 0.000 1.425 157 F CB -0.090 38.654 39.000 -0.426 0.000 1.095 157 F HN 0.291 nan 8.300 nan 0.000 0.560 158 A N -1.816 120.760 122.820 -0.407 0.000 2.063 158 A HA -0.062 4.257 4.320 -0.001 0.000 0.211 158 A C 1.788 179.222 177.584 -0.250 0.000 1.177 158 A CA 0.369 52.184 52.037 -0.369 0.000 0.759 158 A CB -0.878 18.072 19.000 -0.083 0.000 0.857 158 A HN 0.498 nan 8.150 nan 0.000 0.468 159 Y N -0.450 119.709 120.300 -0.235 0.000 2.220 159 Y HA -0.075 4.475 4.550 -0.001 0.000 0.291 159 Y C 1.701 177.645 175.900 0.074 0.000 1.129 159 Y CA 1.462 59.573 58.100 0.018 0.000 1.161 159 Y CB -0.441 38.124 38.460 0.176 0.000 0.997 159 Y HN 0.248 nan 8.280 nan 0.000 0.522 160 F N -0.546 119.344 119.950 -0.101 0.000 2.481 160 F HA -0.240 4.287 4.527 -0.001 0.000 0.297 160 F C 1.521 177.304 175.800 -0.030 0.000 1.095 160 F CA 0.728 58.614 58.000 -0.189 0.000 1.465 160 F CB -0.258 38.594 39.000 -0.245 0.000 1.098 160 F HN 0.208 nan 8.300 nan 0.000 0.585 161 F N -2.629 117.204 119.950 -0.195 0.000 2.537 161 F HA 0.020 4.546 4.527 -0.001 0.000 0.277 161 F C 1.322 177.022 175.800 -0.166 0.000 1.013 161 F CA -0.106 57.661 58.000 -0.390 0.000 1.332 161 F CB 0.049 38.378 39.000 -1.119 0.000 1.108 161 F HN -0.197 nan 8.300 nan 0.000 0.679 162 F N -1.586 118.487 119.950 0.206 0.000 2.746 162 F HA 0.222 4.748 4.527 -0.001 0.000 0.313 162 F C 1.344 177.140 175.800 -0.007 0.000 1.095 162 F CA -0.210 57.844 58.000 0.089 0.000 1.224 162 F CB -0.493 38.567 39.000 0.101 0.000 1.060 162 F HN -0.187 nan 8.300 nan 0.000 0.584 163 V N -0.341 119.611 119.914 0.064 0.000 3.359 163 V HA 0.326 4.446 4.120 -0.001 0.000 0.245 163 V C 0.820 176.807 176.094 -0.178 0.000 1.247 163 V CA 0.441 62.685 62.300 -0.093 0.000 1.145 163 V CB 0.362 32.107 31.823 -0.129 0.000 0.906 163 V HN 0.050 nan 8.190 nan 0.000 0.464 164 R N 1.593 121.930 120.500 -0.271 0.000 3.472 164 R HA 0.343 4.682 4.340 -0.001 0.000 0.322 164 R C 0.205 176.465 176.300 -0.067 0.000 1.330 164 R CA -0.287 55.673 56.100 -0.233 0.000 1.387 164 R CB -0.386 29.629 30.300 -0.476 0.000 1.446 164 R HN 0.127 nan 8.270 nan 0.000 0.628 165 K N 1.933 122.327 120.400 -0.010 0.000 1.795 165 K HA -0.152 4.167 4.320 -0.001 0.000 0.218 165 K C -0.161 176.458 176.600 0.032 0.000 1.170 165 K CA 0.766 57.078 56.287 0.043 0.000 1.405 165 K CB -0.106 32.413 32.500 0.032 0.000 0.908 165 K HN 0.438 nan 8.250 nan 0.000 0.319 166 M N 2.547 122.181 119.600 0.056 0.000 2.067 166 M HA 0.104 4.584 4.480 -0.001 0.000 0.214 166 M C -0.931 175.418 176.300 0.082 0.000 0.891 166 M CA -0.385 54.932 55.300 0.029 0.000 0.697 166 M CB 0.791 33.374 32.600 -0.028 0.000 1.616 166 M HN -0.017 nan 8.290 nan 0.000 0.354 167 E N 2.217 122.453 120.200 0.060 0.000 2.614 167 E HA 0.045 4.394 4.350 -0.001 0.000 0.245 167 E C -0.138 176.526 176.600 0.106 0.000 1.039 167 E CA 0.149 56.569 56.400 0.035 0.000 0.948 167 E CB 0.400 30.059 29.700 -0.068 0.000 0.937 167 E HN 0.488 nan 8.360 nan 0.000 0.498 168 V N 6.194 126.304 119.914 0.327 0.000 2.377 168 V HA -0.042 4.078 4.120 -0.001 0.000 0.254 168 V C 0.826 177.046 176.094 0.210 0.000 1.060 168 V CA -0.180 62.283 62.300 0.272 0.000 1.068 168 V CB -0.881 31.191 31.823 0.414 0.000 1.113 168 V HN 0.441 nan 8.190 nan 0.000 0.484 169 I N 4.452 125.079 120.570 0.095 0.000 2.948 169 I HA -0.060 4.110 4.170 -0.001 0.000 0.303 169 I C 1.786 177.955 176.117 0.086 0.000 1.224 169 I CA 0.337 61.677 61.300 0.068 0.000 1.442 169 I CB 0.023 38.041 38.000 0.030 0.000 1.328 169 I HN 0.503 nan 8.210 nan 0.000 0.578 170 R N 5.539 126.084 120.500 0.074 0.000 2.159 170 R HA -0.147 4.192 4.340 -0.001 0.000 0.249 170 R C -1.515 174.796 176.300 0.020 0.000 1.136 170 R CA 1.564 57.704 56.100 0.067 0.000 0.951 170 R CB -1.771 28.548 30.300 0.031 0.000 0.876 170 R HN 0.527 nan 8.270 nan 0.000 0.440 171 P HA 0.061 nan 4.420 nan 0.000 0.267 171 P C 0.025 177.268 177.300 -0.096 0.000 1.200 171 P CA 0.528 63.572 63.100 -0.093 0.000 0.772 171 P CB 0.966 32.634 31.700 -0.054 0.000 0.855 172 S N 0.376 115.938 115.700 -0.229 0.000 2.399 172 S HA -0.150 4.320 4.470 -0.001 0.000 0.231 172 S C 2.005 176.571 174.600 -0.058 0.000 1.022 172 S CA 1.360 59.475 58.200 -0.142 0.000 0.983 172 S CB -0.647 62.369 63.200 -0.307 0.000 0.803 172 S HN 0.534 nan 8.310 nan 0.000 0.480 173 S N 1.813 117.469 115.700 -0.073 0.000 2.368 173 S HA -0.131 4.338 4.470 -0.001 0.000 0.225 173 S C 1.964 176.525 174.600 -0.066 0.000 1.030 173 S CA 1.712 59.884 58.200 -0.048 0.000 0.999 173 S CB -0.856 62.322 63.200 -0.037 0.000 0.844 173 S HN 0.796 nan 8.310 nan 0.000 0.459 174 T N 0.591 115.105 114.554 -0.067 0.000 3.423 174 T HA -0.012 4.337 4.350 -0.001 0.000 0.266 174 T C 0.702 175.294 174.700 -0.180 0.000 1.208 174 T CA 1.074 63.120 62.100 -0.090 0.000 1.017 174 T CB -0.726 68.115 68.868 -0.044 0.000 0.916 174 T HN 0.479 nan 8.240 nan 0.000 0.572 175 L N -2.822 118.271 121.223 -0.216 0.000 3.826 175 L HA 0.428 4.767 4.340 -0.001 0.000 0.362 175 L C 0.691 177.418 176.870 -0.237 0.000 1.235 175 L CA -0.539 54.052 54.840 -0.416 0.000 1.207 175 L CB -0.052 41.609 42.059 -0.663 0.000 1.518 175 L HN 0.055 nan 8.230 nan 0.000 0.628 176 V N -3.039 116.817 119.914 -0.097 0.000 3.110 176 V HA 0.451 4.571 4.120 -0.001 0.000 0.368 176 V C -1.545 174.529 176.094 -0.034 0.000 1.332 176 V CA -0.487 61.813 62.300 -0.001 0.000 1.287 176 V CB -0.842 31.038 31.823 0.096 0.000 1.277 176 V HN 0.174 nan 8.190 nan 0.000 0.502 177 P HA 0.105 nan 4.420 nan 0.000 0.220 177 P C 1.856 179.131 177.300 -0.043 0.000 1.154 177 P CA 0.633 63.637 63.100 -0.160 0.000 0.830 177 P CB 0.246 31.784 31.700 -0.270 0.000 0.803 178 L N -0.827 120.384 121.223 -0.019 0.000 2.270 178 L HA -0.159 4.181 4.340 -0.001 0.000 0.217 178 L C 2.392 179.294 176.870 0.052 0.000 1.107 178 L CA 1.269 56.132 54.840 0.039 0.000 0.772 178 L CB -0.780 41.329 42.059 0.084 0.000 0.902 178 L HN -0.065 nan 8.230 nan 0.000 0.439 179 V N -0.941 119.004 119.914 0.052 0.000 3.048 179 V HA 0.248 4.367 4.120 -0.001 0.000 0.241 179 V C 1.456 177.566 176.094 0.027 0.000 1.129 179 V CA 0.584 62.914 62.300 0.050 0.000 1.128 179 V CB 0.113 31.982 31.823 0.076 0.000 0.849 179 V HN 0.347 nan 8.190 nan 0.000 0.475 180 G N 0.863 109.678 108.800 0.025 0.000 2.178 180 G HA2 -0.089 3.870 3.960 -0.001 0.000 0.276 180 G HA3 -0.089 3.870 3.960 -0.001 0.000 0.276 180 G C 0.599 175.500 174.900 0.002 0.000 1.038 180 G CA 0.666 45.768 45.100 0.004 0.000 1.177 180 G HN 0.559 nan 8.290 nan 0.000 0.396 181 E N 2.198 122.360 120.200 -0.063 0.000 2.017 181 E HA -0.072 4.277 4.350 -0.001 0.000 0.193 181 E C 1.331 177.920 176.600 -0.018 0.000 0.997 181 E CA 1.104 57.475 56.400 -0.048 0.000 0.804 181 E CB 0.062 29.699 29.700 -0.106 0.000 0.757 181 E HN 0.492 nan 8.360 nan 0.000 0.448 182 K N 1.165 121.514 120.400 -0.086 0.000 2.180 182 K HA 0.073 4.393 4.320 -0.001 0.000 0.250 182 K C -0.985 175.676 176.600 0.102 0.000 1.135 182 K CA -0.198 56.083 56.287 -0.009 0.000 1.037 182 K CB 0.016 32.476 32.500 -0.066 0.000 1.624 182 K HN 0.319 nan 8.250 nan 0.000 0.382 183 H N 1.328 120.408 119.070 0.016 0.000 3.012 183 H HA -0.227 4.329 4.556 -0.001 0.000 0.227 183 H C 1.057 176.446 175.328 0.101 0.000 0.720 183 H CA 0.277 56.353 56.048 0.048 0.000 1.490 183 H CB 0.453 30.235 29.762 0.034 0.000 1.343 183 H HN 0.735 nan 8.280 nan 0.000 0.455 184 A N 5.012 127.843 122.820 0.018 0.000 2.272 184 A HA -0.143 4.177 4.320 -0.001 0.000 0.213 184 A C 1.910 179.514 177.584 0.034 0.000 1.183 184 A CA 0.942 53.035 52.037 0.093 0.000 0.719 184 A CB -0.103 18.939 19.000 0.071 0.000 0.771 184 A HN 0.667 nan 8.150 nan 0.000 0.484 185 K N -0.515 119.896 120.400 0.018 0.000 2.487 185 K HA 0.069 4.389 4.320 -0.001 0.000 0.192 185 K C 1.424 178.084 176.600 0.100 0.000 1.027 185 K CA 0.478 56.803 56.287 0.062 0.000 1.054 185 K CB 0.226 32.791 32.500 0.107 0.000 0.824 185 K HN 0.462 nan 8.250 nan 0.000 0.510 186 G N 0.969 109.843 108.800 0.124 0.000 2.992 186 G HA2 0.061 4.021 3.960 -0.001 0.000 0.201 186 G HA3 0.061 4.021 3.960 -0.001 0.000 0.201 186 G C 0.741 175.710 174.900 0.115 0.000 2.057 186 G CA -0.274 44.900 45.100 0.122 0.000 0.800 186 G HN 0.078 nan 8.290 nan 0.000 0.700 187 L N -1.589 119.718 121.223 0.139 0.000 2.347 187 L HA 0.443 4.783 4.340 -0.001 0.000 0.196 187 L C 2.382 179.346 176.870 0.157 0.000 1.072 187 L CA 0.630 55.549 54.840 0.131 0.000 0.817 187 L CB -0.674 41.460 42.059 0.125 0.000 1.029 187 L HN 0.284 nan 8.230 nan 0.000 0.478 188 F N 1.040 121.024 119.950 0.058 0.000 2.032 188 F HA -0.232 4.294 4.527 -0.000 0.000 0.297 188 F C 2.226 178.063 175.800 0.061 0.000 1.125 188 F CA 2.374 60.408 58.000 0.057 0.000 1.202 188 F CB -1.071 37.955 39.000 0.044 0.000 0.958 188 F HN 0.162 nan 8.300 nan 0.000 0.491 189 G N -1.714 107.151 108.800 0.109 0.000 2.505 189 G HA2 -0.348 3.612 3.960 -0.001 0.000 0.220 189 G HA3 -0.348 3.612 3.960 -0.001 0.000 0.220 189 G C 1.680 176.556 174.900 -0.040 0.000 1.145 189 G CA 1.503 46.600 45.100 -0.005 0.000 0.761 189 G HN 0.466 nan 8.290 nan 0.000 0.571 190 T N 1.175 115.736 114.554 0.012 0.000 2.812 190 T HA -0.043 4.307 4.350 -0.001 0.000 0.264 190 T C 2.404 177.115 174.700 0.019 0.000 1.042 190 T CA 1.097 63.212 62.100 0.026 0.000 1.140 190 T CB -0.276 68.625 68.868 0.056 0.000 0.870 190 T HN 0.442 nan 8.240 nan 0.000 0.445 191 I N -0.638 119.937 120.570 0.008 0.000 3.176 191 I HA 0.070 4.239 4.170 -0.001 0.000 0.275 191 I C 1.874 178.049 176.117 0.097 0.000 1.298 191 I CA 0.558 61.882 61.300 0.040 0.000 1.445 191 I CB -0.406 37.631 38.000 0.061 0.000 1.075 191 I HN 0.068 nan 8.210 nan 0.000 0.482 192 V N 1.390 121.283 119.914 -0.035 0.000 2.795 192 V HA -0.064 4.056 4.120 -0.001 0.000 0.243 192 V C 1.898 178.049 176.094 0.095 0.000 1.069 192 V CA 1.462 63.741 62.300 -0.036 0.000 1.089 192 V CB -0.176 31.464 31.823 -0.305 0.000 0.756 192 V HN 0.300 nan 8.190 nan 0.000 0.471 193 D N 1.051 121.476 120.400 0.042 0.000 2.224 193 D HA -0.103 4.537 4.640 -0.001 0.000 0.205 193 D C 1.778 178.155 176.300 0.129 0.000 0.965 193 D CA 1.336 55.366 54.000 0.050 0.000 0.852 193 D CB -0.228 40.567 40.800 -0.008 0.000 0.947 193 D HN 0.668 nan 8.370 nan 0.000 0.494 194 N N -0.370 118.394 118.700 0.106 0.000 2.395 194 N HA -0.070 4.669 4.740 -0.001 0.000 0.175 194 N C 1.512 177.077 175.510 0.093 0.000 1.029 194 N CA 0.190 53.284 53.050 0.073 0.000 0.897 194 N CB -0.813 37.685 38.487 0.018 0.000 0.991 194 N HN 0.001 nan 8.380 nan 0.000 0.441 195 F N 0.896 120.870 119.950 0.040 0.000 2.095 195 F HA -0.101 4.426 4.527 -0.000 0.000 0.298 195 F C 2.219 178.062 175.800 0.070 0.000 1.104 195 F CA 0.930 58.954 58.000 0.040 0.000 1.232 195 F CB -0.714 38.300 39.000 0.022 0.000 0.987 195 F HN 0.039 nan 8.300 nan 0.000 0.475 196 Y N -0.107 120.316 120.300 0.206 0.000 2.049 196 Y HA -0.280 4.269 4.550 -0.001 0.000 0.277 196 Y C 2.401 178.320 175.900 0.032 0.000 1.143 196 Y CA 1.759 59.917 58.100 0.097 0.000 1.115 196 Y CB -0.669 37.826 38.460 0.057 0.000 0.975 196 Y HN -0.085 nan 8.280 nan 0.000 0.487 197 L N -0.196 121.180 121.223 0.255 0.000 2.081 197 L HA -0.242 4.098 4.340 -0.001 0.000 0.212 197 L C 2.415 179.200 176.870 -0.141 0.000 1.080 197 L CA 1.595 56.458 54.840 0.038 0.000 0.754 197 L CB -1.376 40.687 42.059 0.006 0.000 0.893 197 L HN 0.327 nan 8.230 nan 0.000 0.433 198 V N -0.209 119.646 119.914 -0.099 0.000 2.270 198 V HA -0.247 3.873 4.120 -0.001 0.000 0.245 198 V C 2.784 178.795 176.094 -0.138 0.000 1.043 198 V CA 1.612 63.803 62.300 -0.182 0.000 1.014 198 V CB -0.986 30.780 31.823 -0.097 0.000 0.645 198 V HN 0.487 nan 8.190 nan 0.000 0.447 199 A N -0.230 122.603 122.820 0.022 0.000 1.902 199 A HA -0.195 4.124 4.320 -0.001 0.000 0.217 199 A C 2.160 179.680 177.584 -0.107 0.000 1.181 199 A CA 2.015 54.091 52.037 0.065 0.000 0.623 199 A CB -0.643 18.370 19.000 0.021 0.000 0.818 199 A HN 0.440 nan 8.150 nan 0.000 0.443 200 L N 0.586 121.644 121.223 -0.275 0.000 2.127 200 L HA -0.160 4.179 4.340 -0.001 0.000 0.211 200 L C 2.279 179.027 176.870 -0.203 0.000 1.089 200 L CA 2.114 56.760 54.840 -0.324 0.000 0.757 200 L CB -0.500 41.286 42.059 -0.456 0.000 0.899 200 L HN 0.627 nan 8.230 nan 0.000 0.434 201 I N -4.788 115.647 120.570 -0.226 0.000 2.235 201 I HA -0.189 3.981 4.170 -0.001 0.000 0.241 201 I C 2.365 178.403 176.117 -0.132 0.000 1.085 201 I CA 1.234 62.401 61.300 -0.222 0.000 1.378 201 I CB -1.026 36.783 38.000 -0.318 0.000 1.076 201 I HN 0.039 nan 8.210 nan 0.000 0.415 202 F N 2.107 121.998 119.950 -0.099 0.000 2.111 202 F HA -0.333 4.193 4.527 -0.001 0.000 0.300 202 F C 2.826 178.565 175.800 -0.101 0.000 1.088 202 F CA 1.554 59.499 58.000 -0.092 0.000 1.243 202 F CB -0.346 38.592 39.000 -0.104 0.000 0.996 202 F HN 0.226 nan 8.300 nan 0.000 0.483 203 A N -0.082 122.770 122.820 0.054 0.000 1.873 203 A HA -0.193 4.127 4.320 -0.001 0.000 0.215 203 A C 2.141 179.815 177.584 0.149 0.000 1.186 203 A CA 1.490 53.523 52.037 -0.007 0.000 0.616 203 A CB -0.722 18.158 19.000 -0.201 0.000 0.823 203 A HN 0.345 nan 8.150 nan 0.000 0.442 204 M N -0.363 119.305 119.600 0.112 0.000 2.202 204 M HA -0.136 4.344 4.480 -0.001 0.000 0.262 204 M C 2.174 178.536 176.300 0.103 0.000 1.063 204 M CA 1.371 56.747 55.300 0.128 0.000 1.097 204 M CB -0.526 32.102 32.600 0.047 0.000 1.382 204 M HN 0.528 nan 8.290 nan 0.000 0.413 205 G N -0.798 108.056 108.800 0.090 0.000 2.422 205 G HA2 -0.142 3.818 3.960 -0.001 0.000 0.218 205 G HA3 -0.142 3.818 3.960 -0.001 0.000 0.218 205 G C 1.488 176.456 174.900 0.112 0.000 1.140 205 G CA 1.184 46.345 45.100 0.102 0.000 0.775 205 G HN 0.351 nan 8.290 nan 0.000 0.545 206 T N 0.641 115.266 114.554 0.118 0.000 2.851 206 T HA -0.018 4.332 4.350 -0.001 0.000 0.262 206 T C 2.847 177.676 174.700 0.214 0.000 1.043 206 T CA 1.237 63.399 62.100 0.103 0.000 1.140 206 T CB -0.155 68.690 68.868 -0.039 0.000 0.872 206 T HN 0.231 nan 8.240 nan 0.000 0.446 207 S N 1.519 117.408 115.700 0.315 0.000 2.353 207 S HA -0.059 4.411 4.470 -0.001 0.000 0.222 207 S C 1.961 176.650 174.600 0.148 0.000 1.035 207 S CA 0.720 59.106 58.200 0.309 0.000 1.025 207 S CB -0.538 62.832 63.200 0.282 0.000 0.902 207 S HN 0.205 nan 8.310 nan 0.000 0.440 208 L N 1.420 122.700 121.223 0.096 0.000 1.963 208 L HA -0.149 4.191 4.340 -0.001 0.000 0.220 208 L C 2.385 179.310 176.870 0.092 0.000 1.076 208 L CA 2.282 57.154 54.840 0.053 0.000 0.772 208 L CB -1.869 40.219 42.059 0.048 0.000 0.892 208 L HN 0.471 nan 8.230 nan 0.000 0.435 209 G N -1.678 107.178 108.800 0.093 0.000 2.916 209 G HA2 -0.024 3.936 3.960 -0.001 0.000 0.205 209 G HA3 -0.024 3.936 3.960 -0.001 0.000 0.205 209 G C 1.455 176.385 174.900 0.050 0.000 1.163 209 G CA 0.215 45.365 45.100 0.083 0.000 0.821 209 G HN 0.408 nan 8.290 nan 0.000 0.515 210 L N -1.238 120.008 121.223 0.039 0.000 2.641 210 L HA 0.247 4.587 4.340 -0.001 0.000 0.207 210 L C 2.928 179.845 176.870 0.077 0.000 1.049 210 L CA 0.713 55.521 54.840 -0.053 0.000 0.866 210 L CB -0.269 41.634 42.059 -0.261 0.000 1.264 210 L HN 0.161 nan 8.230 nan 0.000 0.483 211 A N 0.705 123.582 122.820 0.096 0.000 2.019 211 A HA -0.188 4.132 4.320 -0.001 0.000 0.219 211 A C 2.293 179.999 177.584 0.204 0.000 1.164 211 A CA 2.298 54.411 52.037 0.125 0.000 0.644 211 A CB -0.809 18.216 19.000 0.042 0.000 0.805 211 A HN 0.549 nan 8.150 nan 0.000 0.449 212 T N -2.225 112.463 114.554 0.223 0.000 2.698 212 T HA -0.043 4.307 4.350 -0.001 0.000 0.260 212 T C -0.209 174.641 174.700 0.250 0.000 1.044 212 T CA 1.208 63.482 62.100 0.291 0.000 1.149 212 T CB -1.816 67.226 68.868 0.291 0.000 0.864 212 T HN 0.299 nan 8.240 nan 0.000 0.419 213 P HA -0.022 nan 4.420 nan 0.000 0.218 213 P C 1.485 178.911 177.300 0.211 0.000 1.146 213 P CA 0.619 63.847 63.100 0.213 0.000 0.820 213 P CB -0.260 31.562 31.700 0.203 0.000 0.778 214 L N -1.369 119.994 121.223 0.232 0.000 2.027 214 L HA -0.139 4.200 4.340 -0.001 0.000 0.206 214 L C 2.450 179.491 176.870 0.284 0.000 1.074 214 L CA 1.697 56.687 54.840 0.250 0.000 0.745 214 L CB -1.299 40.938 42.059 0.297 0.000 0.898 214 L HN -0.148 nan 8.230 nan 0.000 0.433 215 V N -1.360 118.730 119.914 0.293 0.000 2.307 215 V HA -0.306 3.813 4.120 -0.001 0.000 0.245 215 V C 2.488 178.805 176.094 0.370 0.000 1.045 215 V CA 2.197 64.693 62.300 0.326 0.000 1.024 215 V CB -0.625 31.392 31.823 0.322 0.000 0.651 215 V HN 0.473 nan 8.190 nan 0.000 0.449 216 T N -0.753 113.973 114.554 0.287 0.000 2.665 216 T HA -0.266 4.084 4.350 -0.001 0.000 0.268 216 T C 1.924 176.761 174.700 0.228 0.000 1.035 216 T CA 2.167 64.413 62.100 0.243 0.000 1.151 216 T CB -0.150 68.849 68.868 0.218 0.000 0.862 216 T HN 0.493 nan 8.240 nan 0.000 0.438 217 E N -0.336 119.988 120.200 0.207 0.000 2.107 217 E HA -0.033 4.316 4.350 -0.001 0.000 0.191 217 E C 2.290 178.983 176.600 0.155 0.000 0.982 217 E CA 0.519 57.009 56.400 0.151 0.000 0.809 217 E CB -0.414 29.324 29.700 0.063 0.000 0.756 217 E HN 0.408 nan 8.360 nan 0.000 0.459 218 C N 0.117 119.532 119.300 0.193 0.000 2.403 218 C HA -0.137 4.323 4.460 -0.001 0.000 0.282 218 C C 2.472 177.523 174.990 0.102 0.000 1.297 218 C CA 0.845 59.980 59.018 0.196 0.000 1.785 218 C CB -0.835 27.160 27.740 0.423 0.000 1.963 218 C HN 0.532 nan 8.230 nan 0.000 0.507 219 M N -0.707 118.958 119.600 0.109 0.000 2.254 219 M HA -0.139 4.341 4.480 -0.001 0.000 0.265 219 M C 2.001 178.282 176.300 -0.032 0.000 1.066 219 M CA 1.363 56.622 55.300 -0.068 0.000 1.123 219 M CB -0.366 32.257 32.600 0.037 0.000 1.388 219 M HN 0.403 nan 8.290 nan 0.000 0.425 220 Q N -1.122 118.741 119.800 0.105 0.000 2.547 220 Q HA -0.147 4.192 4.340 -0.001 0.000 0.217 220 Q C -0.484 175.571 176.000 0.092 0.000 0.978 220 Q CA 0.529 56.393 55.803 0.102 0.000 0.962 220 Q CB -0.069 28.760 28.738 0.153 0.000 0.990 220 Q HN 0.496 nan 8.270 nan 0.000 0.538 221 W N 0.740 121.922 121.300 -0.196 0.000 1.602 221 W HA 0.378 5.038 4.660 -0.001 0.000 0.294 221 W C -0.841 175.403 176.519 -0.458 0.000 0.838 221 W CA -0.498 56.700 57.345 -0.245 0.000 2.320 221 W CB 0.736 30.088 29.460 -0.181 0.000 2.318 221 W HN -0.064 nan 8.180 nan 0.000 0.467 222 L N 1.195 122.195 121.223 -0.372 0.000 2.434 222 L HA 0.242 4.582 4.340 -0.001 0.000 0.255 222 L C -0.337 176.250 176.870 -0.471 0.000 1.248 222 L CA -0.460 53.986 54.840 -0.657 0.000 0.870 222 L CB -0.901 40.718 42.059 -0.733 0.000 1.029 222 L HN 0.105 nan 8.230 nan 0.000 0.514 223 F N 1.439 121.328 119.950 -0.103 0.000 3.100 223 F HA -0.153 4.374 4.527 -0.001 0.000 0.283 223 F C 1.645 177.391 175.800 -0.090 0.000 0.841 223 F CA 1.422 59.370 58.000 -0.086 0.000 1.026 223 F CB -2.096 36.872 39.000 -0.052 0.000 1.209 223 F HN 0.923 nan 8.300 nan 0.000 0.487 224 G N -0.442 108.338 108.800 -0.033 0.000 2.182 224 G HA2 -0.267 3.692 3.960 -0.001 0.000 0.248 224 G HA3 -0.267 3.692 3.960 -0.001 0.000 0.248 224 G C 0.137 175.040 174.900 0.005 0.000 1.042 224 G CA -0.300 44.778 45.100 -0.036 0.000 0.775 224 G HN 0.508 nan 8.290 nan 0.000 0.501 225 I N 1.290 121.864 120.570 0.007 0.000 2.826 225 I HA 0.057 4.227 4.170 -0.001 0.000 0.295 225 I C -0.485 175.662 176.117 0.049 0.000 1.213 225 I CA -1.262 60.052 61.300 0.023 0.000 1.436 225 I CB -0.658 37.347 38.000 0.009 0.000 1.348 225 I HN 0.102 nan 8.210 nan 0.000 0.570 226 P HA 0.006 nan 4.420 nan 0.000 0.280 226 P C 0.171 177.565 177.300 0.157 0.000 1.278 226 P CA 0.403 63.565 63.100 0.104 0.000 0.787 226 P CB 0.444 32.185 31.700 0.068 0.000 1.163 227 H N -3.851 115.249 119.070 0.051 0.000 2.800 227 H HA 0.157 4.713 4.556 -0.000 0.000 0.257 227 H C 0.602 175.969 175.328 0.064 0.000 0.967 227 H CA 0.251 56.341 56.048 0.069 0.000 1.192 227 H CB -0.723 29.092 29.762 0.088 0.000 1.441 227 H HN 0.398 nan 8.280 nan 0.000 0.461 228 T N 1.089 115.235 114.554 -0.680 0.000 2.399 228 T HA -0.244 4.106 4.350 -0.001 0.000 0.208 228 T C 1.501 176.040 174.700 -0.269 0.000 0.988 228 T CA 0.656 62.456 62.100 -0.499 0.000 1.298 228 T CB 0.010 68.764 68.868 -0.191 0.000 0.999 228 T HN 0.463 nan 8.240 nan 0.000 0.400 229 L N 3.845 124.955 121.223 -0.189 0.000 2.010 229 L HA -0.186 4.154 4.340 -0.001 0.000 0.219 229 L C 2.740 179.592 176.870 -0.031 0.000 1.077 229 L CA 3.062 57.861 54.840 -0.068 0.000 0.773 229 L CB -1.380 40.662 42.059 -0.029 0.000 0.892 229 L HN 0.992 nan 8.230 nan 0.000 0.436 230 Q N -1.126 118.654 119.800 -0.033 0.000 2.142 230 Q HA -0.289 4.051 4.340 -0.001 0.000 0.213 230 Q C 2.243 178.242 176.000 -0.002 0.000 1.004 230 Q CA 2.696 58.492 55.803 -0.011 0.000 0.883 230 Q CB -0.463 28.266 28.738 -0.015 0.000 0.939 230 Q HN 0.644 nan 8.270 nan 0.000 0.413 231 L N 0.673 121.887 121.223 -0.014 0.000 2.109 231 L HA -0.158 4.181 4.340 -0.001 0.000 0.207 231 L C 1.573 178.461 176.870 0.030 0.000 1.086 231 L CA 1.840 56.685 54.840 0.008 0.000 0.760 231 L CB -0.855 41.211 42.059 0.011 0.000 0.910 231 L HN 0.279 nan 8.230 nan 0.000 0.437 232 D N 0.651 121.072 120.400 0.034 0.000 2.104 232 D HA -0.184 4.456 4.640 -0.001 0.000 0.194 232 D C 2.188 178.532 176.300 0.073 0.000 0.994 232 D CA 1.644 55.688 54.000 0.073 0.000 0.830 232 D CB 0.024 40.870 40.800 0.076 0.000 0.959 232 D HN 0.435 nan 8.370 nan 0.000 0.452 233 A N 0.390 123.242 122.820 0.054 0.000 1.972 233 A HA -0.128 4.191 4.320 -0.001 0.000 0.219 233 A C 2.377 179.993 177.584 0.053 0.000 1.169 233 A CA 0.905 52.977 52.037 0.059 0.000 0.635 233 A CB -0.592 18.436 19.000 0.046 0.000 0.810 233 A HN 0.199 nan 8.150 nan 0.000 0.446 234 I N -0.018 120.572 120.570 0.033 0.000 2.277 234 I HA -0.172 3.998 4.170 -0.001 0.000 0.243 234 I C 2.404 178.517 176.117 -0.008 0.000 1.094 234 I CA 1.387 62.699 61.300 0.020 0.000 1.393 234 I CB -0.269 37.739 38.000 0.014 0.000 1.078 234 I HN 0.559 nan 8.210 nan 0.000 0.417 235 I N 0.273 120.821 120.570 -0.037 0.000 2.493 235 I HA -0.197 3.973 4.170 -0.001 0.000 0.254 235 I C 2.404 178.329 176.117 -0.321 0.000 1.160 235 I CA 1.512 62.703 61.300 -0.182 0.000 1.445 235 I CB -0.627 37.274 38.000 -0.165 0.000 1.086 235 I HN 0.196 nan 8.210 nan 0.000 0.433 236 I N 0.006 120.580 120.570 0.007 0.000 2.252 236 I HA -0.168 4.001 4.170 -0.001 0.000 0.245 236 I C 2.620 178.897 176.117 0.267 0.000 1.102 236 I CA 1.925 63.423 61.300 0.330 0.000 1.385 236 I CB -1.272 36.912 38.000 0.308 0.000 1.064 236 I HN 0.321 nan 8.210 nan 0.000 0.414 237 T N -0.455 114.180 114.554 0.134 0.000 2.904 237 T HA -0.165 4.185 4.350 -0.001 0.000 0.267 237 T C 2.073 176.835 174.700 0.103 0.000 1.059 237 T CA 1.495 63.668 62.100 0.122 0.000 1.137 237 T CB -0.662 68.259 68.868 0.087 0.000 0.879 237 T HN 0.597 nan 8.240 nan 0.000 0.467 238 C N 0.139 119.458 119.300 0.031 0.000 2.411 238 C HA 0.004 4.464 4.460 -0.001 0.000 0.279 238 C C 2.183 177.206 174.990 0.054 0.000 1.288 238 C CA 0.490 59.510 59.018 0.004 0.000 1.764 238 C CB -1.814 25.882 27.740 -0.073 0.000 1.974 238 C HN 0.836 nan 8.230 nan 0.000 0.498 239 W N 1.545 122.876 121.300 0.052 0.000 2.309 239 W HA -0.118 4.542 4.660 0.001 0.000 0.326 239 W C 2.474 179.005 176.519 0.020 0.000 1.222 239 W CA 1.508 58.848 57.345 -0.009 0.000 1.237 239 W CB -0.643 28.788 29.460 -0.048 0.000 1.180 239 W HN 0.301 nan 8.180 nan 0.000 0.456 240 I N 0.118 120.877 120.570 0.315 0.000 2.315 240 I HA -0.288 3.881 4.170 -0.001 0.000 0.251 240 I C 2.105 178.313 176.117 0.152 0.000 1.125 240 I CA 2.080 63.497 61.300 0.195 0.000 1.392 240 I CB -1.440 36.655 38.000 0.158 0.000 1.065 240 I HN 0.211 nan 8.210 nan 0.000 0.424 241 I N 0.514 121.169 120.570 0.143 0.000 2.163 241 I HA -0.214 3.956 4.170 -0.001 0.000 0.240 241 I C 2.602 178.792 176.117 0.123 0.000 1.081 241 I CA 1.561 62.930 61.300 0.114 0.000 1.353 241 I CB -0.626 37.430 38.000 0.094 0.000 1.054 241 I HN 0.216 nan 8.210 nan 0.000 0.407 242 L N 1.364 122.676 121.223 0.149 0.000 2.353 242 L HA -0.122 4.218 4.340 -0.001 0.000 0.220 242 L C 1.929 178.891 176.870 0.152 0.000 1.133 242 L CA 1.371 56.307 54.840 0.160 0.000 0.798 242 L CB -0.525 41.659 42.059 0.208 0.000 0.922 242 L HN 0.364 nan 8.230 nan 0.000 0.445 243 N N -0.991 117.799 118.700 0.150 0.000 2.414 243 N HA 0.092 4.832 4.740 -0.001 0.000 0.177 243 N C 1.733 177.307 175.510 0.107 0.000 1.062 243 N CA 0.939 54.062 53.050 0.123 0.000 0.890 243 N CB 0.109 38.666 38.487 0.116 0.000 1.070 243 N HN 0.361 nan 8.380 nan 0.000 0.454 244 A N 2.132 125.015 122.820 0.106 0.000 1.855 244 A HA -0.043 4.276 4.320 -0.001 0.000 0.215 244 A C 2.039 179.674 177.584 0.085 0.000 1.191 244 A CA 0.920 53.013 52.037 0.092 0.000 0.613 244 A CB -0.830 18.221 19.000 0.085 0.000 0.829 244 A HN 0.368 nan 8.150 nan 0.000 0.442 245 I N -2.881 117.740 120.570 0.085 0.000 3.241 245 I HA -0.083 4.087 4.170 -0.001 0.000 0.280 245 I C 1.944 178.108 176.117 0.078 0.000 1.320 245 I CA 0.921 62.267 61.300 0.077 0.000 1.413 245 I CB -0.600 37.445 38.000 0.075 0.000 1.060 245 I HN 0.288 nan 8.210 nan 0.000 0.500 246 C N 0.089 119.440 119.300 0.085 0.000 2.518 246 C HA 0.120 4.580 4.460 -0.001 0.000 0.283 246 C C 2.652 177.688 174.990 0.076 0.000 1.351 246 C CA 0.526 59.592 59.018 0.081 0.000 1.745 246 C CB -0.427 27.365 27.740 0.087 0.000 2.107 246 C HN 0.496 nan 8.230 nan 0.000 0.502 247 V N 1.911 121.874 119.914 0.082 0.000 2.379 247 V HA -0.069 4.051 4.120 -0.001 0.000 0.245 247 V C 2.871 179.009 176.094 0.073 0.000 1.044 247 V CA 1.858 64.209 62.300 0.085 0.000 1.036 247 V CB -1.494 30.388 31.823 0.098 0.000 0.664 247 V HN 0.598 nan 8.190 nan 0.000 0.453 248 A N 0.076 122.937 122.820 0.068 0.000 1.935 248 A HA -0.322 3.997 4.320 -0.001 0.000 0.224 248 A C 1.545 179.161 177.584 0.053 0.000 1.324 248 A CA 2.312 54.384 52.037 0.058 0.000 0.686 248 A CB -1.165 17.868 19.000 0.056 0.000 0.837 248 A HN 0.867 nan 8.150 nan 0.000 0.481 249 C N -3.935 115.397 119.300 0.053 0.000 2.595 249 C HA 0.811 5.270 4.460 -0.001 0.000 0.338 249 C C 0.577 175.597 174.990 0.050 0.000 1.219 249 C CA -0.498 58.549 59.018 0.048 0.000 1.811 249 C CB 0.912 28.678 27.740 0.043 0.000 2.313 249 C HN 0.945 nan 8.230 nan 0.000 0.499 250 G N 1.264 110.092 108.800 0.046 0.000 2.377 250 G HA2 0.646 4.605 3.960 -0.001 0.000 0.316 250 G HA3 0.646 4.605 3.960 -0.001 0.000 0.316 250 G C -1.241 173.683 174.900 0.040 0.000 1.115 250 G CA -0.360 44.767 45.100 0.046 0.000 0.952 250 G HN 1.004 nan 8.290 nan 0.000 0.441 251 L N 1.647 122.894 121.223 0.040 0.000 2.982 251 L HA 0.149 4.488 4.340 -0.001 0.000 0.262 251 L C 0.334 177.226 176.870 0.036 0.000 0.932 251 L CA -0.598 54.264 54.840 0.036 0.000 1.058 251 L CB 1.936 44.015 42.059 0.035 0.000 1.665 251 L HN 0.757 nan 8.230 nan 0.000 0.499 252 Q N 2.446 122.265 119.800 0.032 0.000 2.294 252 Q HA 0.063 4.403 4.340 -0.001 0.000 0.256 252 Q C 0.693 176.714 176.000 0.036 0.000 0.907 252 Q CA -0.080 55.742 55.803 0.031 0.000 0.954 252 Q CB 0.141 28.894 28.738 0.025 0.000 1.102 252 Q HN 0.539 nan 8.270 nan 0.000 0.429 253 K N 0.250 120.672 120.400 0.037 0.000 2.525 253 K HA 0.008 4.328 4.320 -0.001 0.000 0.192 253 K C 0.966 177.593 176.600 0.043 0.000 1.029 253 K CA 0.991 57.301 56.287 0.038 0.000 1.029 253 K CB 0.128 32.650 32.500 0.035 0.000 0.814 253 K HN 0.489 nan 8.250 nan 0.000 0.503 254 G N -0.865 107.963 108.800 0.047 0.000 2.735 254 G HA2 -0.016 3.943 3.960 -0.001 0.000 0.204 254 G HA3 -0.016 3.943 3.960 -0.001 0.000 0.204 254 G C 1.006 175.938 174.900 0.055 0.000 1.218 254 G CA -0.118 45.015 45.100 0.055 0.000 0.612 254 G HN 0.102 nan 8.290 nan 0.000 0.913 255 V N 1.412 121.354 119.914 0.047 0.000 2.951 255 V HA 0.082 4.202 4.120 -0.001 0.000 0.255 255 V C 2.652 178.764 176.094 0.030 0.000 1.088 255 V CA 0.987 63.309 62.300 0.037 0.000 1.109 255 V CB -0.099 31.741 31.823 0.028 0.000 0.724 255 V HN 0.157 nan 8.190 nan 0.000 0.471 256 R N 1.516 122.037 120.500 0.035 0.000 2.055 256 R HA -0.090 4.249 4.340 -0.001 0.000 0.228 256 R C 2.279 178.611 176.300 0.052 0.000 1.143 256 R CA 2.199 58.323 56.100 0.040 0.000 0.945 256 R CB -0.540 29.786 30.300 0.042 0.000 0.841 256 R HN 0.645 nan 8.270 nan 0.000 0.429 257 I N -0.793 119.811 120.570 0.058 0.000 2.756 257 I HA 0.038 4.208 4.170 -0.001 0.000 0.262 257 I C 2.130 178.290 176.117 0.072 0.000 1.225 257 I CA 1.288 62.630 61.300 0.071 0.000 1.472 257 I CB -0.650 37.389 38.000 0.065 0.000 1.094 257 I HN 0.004 nan 8.210 nan 0.000 0.454 258 A N 1.316 124.172 122.820 0.059 0.000 1.845 258 A HA -0.223 4.097 4.320 -0.001 0.000 0.215 258 A C 2.570 180.176 177.584 0.037 0.000 1.195 258 A CA 2.482 54.551 52.037 0.054 0.000 0.616 258 A CB -1.444 17.586 19.000 0.049 0.000 0.832 258 A HN 0.579 nan 8.150 nan 0.000 0.443 259 S N -0.348 115.365 115.700 0.022 0.000 2.374 259 S HA -0.262 4.208 4.470 -0.001 0.000 0.227 259 S C 1.778 176.386 174.600 0.013 0.000 1.037 259 S CA 1.966 60.167 58.200 0.001 0.000 1.024 259 S CB -0.670 62.534 63.200 0.006 0.000 0.861 259 S HN 0.561 nan 8.310 nan 0.000 0.456 260 D N -0.034 120.401 120.400 0.058 0.000 2.263 260 D HA -0.047 4.593 4.640 -0.001 0.000 0.208 260 D C 1.798 178.205 176.300 0.178 0.000 0.971 260 D CA 0.976 55.036 54.000 0.099 0.000 0.867 260 D CB 0.153 41.038 40.800 0.141 0.000 0.929 260 D HN 0.411 nan 8.370 nan 0.000 0.492 261 V N 0.736 120.730 119.914 0.133 0.000 2.341 261 V HA -0.078 4.041 4.120 -0.001 0.000 0.240 261 V C 2.611 178.734 176.094 0.049 0.000 1.035 261 V CA 0.557 62.940 62.300 0.140 0.000 1.033 261 V CB -0.407 31.468 31.823 0.088 0.000 0.678 261 V HN 0.085 nan 8.190 nan 0.000 0.464 262 R N 1.162 121.653 120.500 -0.015 0.000 2.153 262 R HA -0.223 4.116 4.340 -0.001 0.000 0.252 262 R C 2.415 178.585 176.300 -0.215 0.000 1.158 262 R CA 2.346 58.389 56.100 -0.095 0.000 0.975 262 R CB -0.507 29.736 30.300 -0.094 0.000 0.871 262 R HN 0.681 nan 8.270 nan 0.000 0.450 263 S N -1.419 114.132 115.700 -0.249 0.000 2.439 263 S HA -0.052 4.418 4.470 -0.001 0.000 0.224 263 S C 1.925 176.202 174.600 -0.539 0.000 1.029 263 S CA 0.109 57.979 58.200 -0.550 0.000 0.946 263 S CB -0.428 62.530 63.200 -0.404 0.000 0.797 263 S HN 0.314 nan 8.310 nan 0.000 0.504 264 Y N 1.410 121.601 120.300 -0.183 0.000 2.145 264 Y HA 0.091 4.640 4.550 -0.001 0.000 0.286 264 Y C 2.295 178.141 175.900 -0.090 0.000 1.145 264 Y CA 0.841 58.907 58.100 -0.056 0.000 1.148 264 Y CB -0.705 37.756 38.460 0.002 0.000 0.981 264 Y HN 0.276 nan 8.280 nan 0.000 0.507 265 L N -0.318 120.933 121.223 0.047 0.000 2.005 265 L HA -0.203 4.137 4.340 -0.001 0.000 0.207 265 L C 2.752 179.551 176.870 -0.118 0.000 1.072 265 L CA 2.184 57.003 54.840 -0.035 0.000 0.744 265 L CB -1.277 40.745 42.059 -0.063 0.000 0.895 265 L HN 0.331 nan 8.230 nan 0.000 0.433 266 S N -0.897 114.652 115.700 -0.252 0.000 2.374 266 S HA -0.278 4.191 4.470 -0.001 0.000 0.227 266 S C 2.107 176.670 174.600 -0.062 0.000 1.037 266 S CA 1.823 59.853 58.200 -0.283 0.000 1.024 266 S CB -1.313 61.643 63.200 -0.407 0.000 0.861 266 S HN 0.483 nan 8.310 nan 0.000 0.456 267 F N 0.675 120.652 119.950 0.045 0.000 2.325 267 F HA 0.164 4.690 4.527 -0.000 0.000 0.299 267 F C 2.521 178.390 175.800 0.114 0.000 1.090 267 F CA 0.146 58.206 58.000 0.100 0.000 1.392 267 F CB -0.146 38.945 39.000 0.152 0.000 1.053 267 F HN 0.233 nan 8.300 nan 0.000 0.521 268 L N -0.084 121.291 121.223 0.254 0.000 2.156 268 L HA -0.141 4.199 4.340 -0.001 0.000 0.208 268 L C 2.125 179.103 176.870 0.180 0.000 1.095 268 L CA 1.480 56.440 54.840 0.201 0.000 0.770 268 L CB -0.373 41.766 42.059 0.134 0.000 0.914 268 L HN 0.254 nan 8.230 nan 0.000 0.439 269 M N -0.736 118.914 119.600 0.084 0.000 2.236 269 M HA -0.120 4.360 4.480 -0.001 0.000 0.266 269 M C 1.980 178.386 176.300 0.177 0.000 1.070 269 M CA 1.597 56.927 55.300 0.049 0.000 1.137 269 M CB -0.076 32.353 32.600 -0.286 0.000 1.378 269 M HN 0.115 nan 8.290 nan 0.000 0.426 270 L N -1.542 119.776 121.223 0.158 0.000 2.179 270 L HA 0.070 4.410 4.340 -0.001 0.000 0.208 270 L C 2.377 179.410 176.870 0.271 0.000 1.096 270 L CA 0.881 55.841 54.840 0.201 0.000 0.779 270 L CB -1.162 41.008 42.059 0.186 0.000 0.922 270 L HN 0.441 nan 8.230 nan 0.000 0.443 271 G N -0.310 108.661 108.800 0.285 0.000 2.440 271 G HA2 -0.297 3.663 3.960 -0.001 0.000 0.218 271 G HA3 -0.297 3.663 3.960 -0.001 0.000 0.218 271 G C 1.383 176.516 174.900 0.388 0.000 1.154 271 G CA 0.416 45.704 45.100 0.314 0.000 0.767 271 G HN 0.497 nan 8.290 nan 0.000 0.552 272 W N 1.184 122.589 121.300 0.175 0.000 2.329 272 W HA -0.206 4.453 4.660 -0.001 0.000 0.324 272 W C 2.281 178.898 176.519 0.164 0.000 1.222 272 W CA 1.946 59.381 57.345 0.149 0.000 1.270 272 W CB -0.530 29.000 29.460 0.116 0.000 1.167 272 W HN 0.121 nan 8.180 nan 0.000 0.467 273 V N 1.554 121.538 119.914 0.118 0.000 2.282 273 V HA -0.374 3.745 4.120 -0.001 0.000 0.249 273 V C 2.133 178.244 176.094 0.029 0.000 1.057 273 V CA 2.394 64.697 62.300 0.003 0.000 1.032 273 V CB -1.646 30.291 31.823 0.190 0.000 0.645 273 V HN 0.309 nan 8.190 nan 0.000 0.447 274 F N 0.746 120.713 119.950 0.028 0.000 2.027 274 F HA -0.282 4.244 4.527 -0.001 0.000 0.297 274 F C 2.140 177.930 175.800 -0.017 0.000 1.129 274 F CA 2.258 60.279 58.000 0.035 0.000 1.195 274 F CB -0.573 38.464 39.000 0.063 0.000 0.960 274 F HN 0.125 nan 8.300 nan 0.000 0.485 275 I N 0.102 120.582 120.570 -0.150 0.000 2.127 275 I HA -0.244 3.926 4.170 -0.001 0.000 0.241 275 I C 2.302 178.195 176.117 -0.373 0.000 1.075 275 I CA 1.534 62.644 61.300 -0.316 0.000 1.334 275 I CB -0.861 37.122 38.000 -0.028 0.000 1.040 275 I HN 0.119 nan 8.210 nan 0.000 0.405 276 V N -0.097 119.546 119.914 -0.451 0.000 2.332 276 V HA -0.314 3.805 4.120 -0.001 0.000 0.248 276 V C 2.576 178.483 176.094 -0.311 0.000 1.055 276 V CA 2.235 64.243 62.300 -0.487 0.000 1.038 276 V CB -0.821 30.497 31.823 -0.841 0.000 0.651 276 V HN 0.456 nan 8.190 nan 0.000 0.450 277 S N -0.883 114.662 115.700 -0.258 0.000 2.474 277 S HA 0.176 4.645 4.470 -0.001 0.000 0.235 277 S C 0.973 175.497 174.600 -0.125 0.000 0.997 277 S CA 0.872 58.986 58.200 -0.142 0.000 0.949 277 S CB -0.166 63.015 63.200 -0.031 0.000 0.766 277 S HN 1.083 nan 8.310 nan 0.000 0.517 278 G N 0.180 108.858 108.800 -0.204 0.000 3.238 278 G HA2 0.120 4.080 3.960 -0.001 0.000 0.684 278 G HA3 0.120 4.080 3.960 -0.001 0.000 0.684 278 G C 0.424 175.206 174.900 -0.197 0.000 1.156 278 G CA -0.211 44.797 45.100 -0.153 0.000 1.048 278 G HN 0.365 nan 8.290 nan 0.000 0.462 279 A N 2.050 124.636 122.820 -0.389 0.000 1.883 279 A HA 0.063 4.382 4.320 -0.001 0.000 0.217 279 A C 2.807 180.362 177.584 -0.048 0.000 1.186 279 A CA 2.986 54.743 52.037 -0.466 0.000 0.624 279 A CB -0.637 18.153 19.000 -0.350 0.000 0.822 279 A HN 1.996 nan 8.150 nan 0.000 0.444 280 S N -1.706 113.999 115.700 0.008 0.000 2.382 280 S HA -0.153 4.317 4.470 -0.001 0.000 0.228 280 S C 1.747 176.423 174.600 0.126 0.000 1.027 280 S CA 1.600 59.846 58.200 0.076 0.000 0.991 280 S CB -0.534 62.706 63.200 0.067 0.000 0.823 280 S HN 0.603 nan 8.310 nan 0.000 0.469 281 F N 1.918 121.873 119.950 0.008 0.000 2.084 281 F HA 0.053 4.579 4.527 -0.001 0.000 0.296 281 F C 1.808 177.682 175.800 0.124 0.000 1.111 281 F CA 1.440 59.462 58.000 0.037 0.000 1.224 281 F CB -0.654 38.340 39.000 -0.009 0.000 0.991 281 F HN 0.212 nan 8.300 nan 0.000 0.471 282 I N -0.088 120.484 120.570 0.003 0.000 2.163 282 I HA -0.351 3.819 4.170 -0.001 0.000 0.243 282 I C 2.311 178.489 176.117 0.101 0.000 1.085 282 I CA 1.161 62.487 61.300 0.045 0.000 1.347 282 I CB -0.478 37.689 38.000 0.279 0.000 1.044 282 I HN 0.162 nan 8.210 nan 0.000 0.408 283 M N 0.119 119.810 119.600 0.152 0.000 2.267 283 M HA -0.195 4.285 4.480 -0.001 0.000 0.263 283 M C 1.813 178.184 176.300 0.118 0.000 1.063 283 M CA 1.558 56.953 55.300 0.159 0.000 1.090 283 M CB -1.499 31.194 32.600 0.156 0.000 1.392 283 M HN 0.332 nan 8.290 nan 0.000 0.422 284 N N -1.146 117.572 118.700 0.029 0.000 2.278 284 N HA -0.101 4.639 4.740 -0.001 0.000 0.181 284 N C 1.769 177.270 175.510 -0.015 0.000 1.023 284 N CA 0.808 53.861 53.050 0.005 0.000 0.862 284 N CB -0.415 38.070 38.487 -0.004 0.000 1.003 284 N HN 0.279 nan 8.380 nan 0.000 0.431 285 Y N 1.426 121.524 120.300 -0.338 0.000 2.256 285 Y HA -0.164 4.386 4.550 -0.001 0.000 0.288 285 Y C 2.167 177.979 175.900 -0.147 0.000 1.155 285 Y CA 0.835 58.736 58.100 -0.332 0.000 1.203 285 Y CB -0.706 37.369 38.460 -0.642 0.000 0.980 285 Y HN -0.038 nan 8.280 nan 0.000 0.530 286 F N 0.236 120.061 119.950 -0.209 0.000 2.051 286 F HA -0.221 4.305 4.527 -0.001 0.000 0.296 286 F C 2.408 178.067 175.800 -0.234 0.000 1.122 286 F CA 2.546 60.391 58.000 -0.258 0.000 1.201 286 F CB -1.002 37.911 39.000 -0.146 0.000 0.978 286 F HN -0.088 nan 8.300 nan 0.000 0.472 287 T N -0.093 114.412 114.554 -0.082 0.000 2.624 287 T HA -0.312 4.038 4.350 -0.001 0.000 0.268 287 T C 1.506 176.074 174.700 -0.220 0.000 1.041 287 T CA 2.158 64.175 62.100 -0.139 0.000 1.159 287 T CB -0.652 68.227 68.868 0.018 0.000 0.863 287 T HN 0.350 nan 8.240 nan 0.000 0.434 288 D N 0.138 120.444 120.400 -0.158 0.000 2.144 288 D HA -0.044 4.595 4.640 -0.001 0.000 0.199 288 D C 2.288 178.448 176.300 -0.233 0.000 0.984 288 D CA 0.960 54.878 54.000 -0.135 0.000 0.834 288 D CB -0.103 40.675 40.800 -0.036 0.000 0.955 288 D HN 0.227 nan 8.370 nan 0.000 0.465 289 S N -1.043 114.422 115.700 -0.391 0.000 2.423 289 S HA -0.082 4.388 4.470 -0.001 0.000 0.231 289 S C 2.067 176.379 174.600 -0.479 0.000 1.014 289 S CA 0.294 58.218 58.200 -0.460 0.000 0.965 289 S CB 0.030 62.848 63.200 -0.637 0.000 0.785 289 S HN 0.125 nan 8.310 nan 0.000 0.495 290 V N 1.731 121.286 119.914 -0.598 0.000 2.237 290 V HA -0.137 3.983 4.120 -0.001 0.000 0.245 290 V C 2.712 178.650 176.094 -0.259 0.000 1.046 290 V CA 2.033 64.028 62.300 -0.509 0.000 1.007 290 V CB -1.545 29.948 31.823 -0.551 0.000 0.638 290 V HN 0.553 nan 8.190 nan 0.000 0.445 291 G N -0.874 107.801 108.800 -0.207 0.000 2.475 291 G HA2 -0.362 3.598 3.960 -0.001 0.000 0.220 291 G HA3 -0.362 3.598 3.960 -0.001 0.000 0.220 291 G C 1.587 176.424 174.900 -0.104 0.000 1.125 291 G CA 1.486 46.509 45.100 -0.127 0.000 0.755 291 G HN 0.407 nan 8.290 nan 0.000 0.565 292 M N -0.239 119.297 119.600 -0.107 0.000 2.099 292 M HA 0.142 4.622 4.480 -0.001 0.000 0.262 292 M C 2.240 178.532 176.300 -0.012 0.000 1.067 292 M CA 1.007 56.295 55.300 -0.019 0.000 1.124 292 M CB -0.398 32.173 32.600 -0.048 0.000 1.353 292 M HN 0.210 nan 8.290 nan 0.000 0.410 293 L N -0.103 121.047 121.223 -0.121 0.000 1.989 293 L HA -0.198 4.141 4.340 -0.001 0.000 0.211 293 L C 2.037 178.865 176.870 -0.069 0.000 1.071 293 L CA 1.989 56.758 54.840 -0.119 0.000 0.749 293 L CB -0.856 41.126 42.059 -0.129 0.000 0.890 293 L HN 0.393 nan 8.230 nan 0.000 0.431 294 L N -1.401 119.782 121.223 -0.068 0.000 2.017 294 L HA -0.250 4.090 4.340 -0.001 0.000 0.208 294 L C 2.631 179.447 176.870 -0.089 0.000 1.073 294 L CA 1.773 56.581 54.840 -0.054 0.000 0.745 294 L CB -0.545 41.485 42.059 -0.049 0.000 0.894 294 L HN 0.438 nan 8.230 nan 0.000 0.432 295 M N -0.786 118.738 119.600 -0.127 0.000 2.082 295 M HA -0.300 4.180 4.480 -0.001 0.000 0.258 295 M C 1.828 177.922 176.300 -0.345 0.000 1.069 295 M CA 2.112 57.266 55.300 -0.243 0.000 1.102 295 M CB -0.428 32.001 32.600 -0.285 0.000 1.336 295 M HN 0.125 nan 8.290 nan 0.000 0.404 296 Y N -1.346 118.817 120.300 -0.228 0.000 2.462 296 Y HA 0.096 4.646 4.550 -0.000 0.000 0.261 296 Y C 1.651 177.366 175.900 -0.309 0.000 1.146 296 Y CA -0.072 57.845 58.100 -0.305 0.000 1.283 296 Y CB 0.012 38.256 38.460 -0.359 0.000 1.090 296 Y HN 0.251 nan 8.280 nan 0.000 0.526 297 L N 2.217 123.374 121.223 -0.110 0.000 1.997 297 L HA -0.186 4.154 4.340 -0.001 0.000 0.216 297 L C -0.605 176.246 176.870 -0.031 0.000 1.074 297 L CA 2.164 56.951 54.840 -0.087 0.000 0.763 297 L CB -1.387 40.683 42.059 0.019 0.000 0.890 297 L HN 0.000 nan 8.230 nan 0.000 0.434 298 P HA -0.170 nan 4.420 nan 0.000 0.223 298 P C 1.380 178.784 177.300 0.173 0.000 1.151 298 P CA 1.278 64.458 63.100 0.133 0.000 0.787 298 P CB -0.016 31.724 31.700 0.068 0.000 0.788 299 R N 0.436 120.953 120.500 0.028 0.000 2.080 299 R HA 0.120 4.460 4.340 -0.001 0.000 0.222 299 R C 2.497 178.848 176.300 0.085 0.000 1.107 299 R CA 1.189 57.318 56.100 0.048 0.000 0.980 299 R CB -1.071 29.172 30.300 -0.095 0.000 0.879 299 R HN 0.053 nan 8.270 nan 0.000 0.439 300 M N -0.083 119.423 119.600 -0.156 0.000 2.296 300 M HA -0.074 4.406 4.480 -0.001 0.000 0.265 300 M C 1.944 178.127 176.300 -0.195 0.000 1.064 300 M CA 1.366 56.401 55.300 -0.441 0.000 1.109 300 M CB -0.338 31.233 32.600 -1.715 0.000 1.396 300 M HN 0.122 nan 8.290 nan 0.000 0.430 301 L N -0.551 120.664 121.223 -0.013 0.000 2.027 301 L HA -0.091 4.248 4.340 -0.001 0.000 0.206 301 L C 1.322 178.096 176.870 -0.160 0.000 1.074 301 L CA 1.301 56.190 54.840 0.082 0.000 0.745 301 L CB -0.204 41.726 42.059 -0.216 0.000 0.898 301 L HN 0.203 nan 8.230 nan 0.000 0.433 302 F N -2.268 117.751 119.950 0.115 0.000 2.668 302 F HA 0.137 4.664 4.527 -0.000 0.000 0.297 302 F C 0.437 176.363 175.800 0.210 0.000 1.124 302 F CA -0.680 57.366 58.000 0.077 0.000 1.353 302 F CB -0.463 38.530 39.000 -0.011 0.000 0.992 302 F HN -0.077 nan 8.300 nan 0.000 0.524 303 Y N 1.083 121.491 120.300 0.181 0.000 2.436 303 Y HA 0.332 4.882 4.550 -0.001 0.000 0.336 303 Y C 0.526 176.518 175.900 0.154 0.000 1.049 303 Y CA 0.226 58.443 58.100 0.194 0.000 1.294 303 Y CB 0.530 39.108 38.460 0.197 0.000 1.179 303 Y HN -0.027 nan 8.280 nan 0.000 0.520 304 T N 4.211 118.732 114.554 -0.056 0.000 2.838 304 T HA 0.056 4.406 4.350 -0.001 0.000 0.292 304 T C -1.303 173.296 174.700 -0.169 0.000 1.113 304 T CA -0.827 61.241 62.100 -0.054 0.000 1.008 304 T CB 1.065 70.017 68.868 0.140 0.000 1.259 304 T HN 0.649 nan 8.240 nan 0.000 0.520 305 D N 3.353 123.708 120.400 -0.074 0.000 3.630 305 D HA -0.030 4.610 4.640 -0.001 0.000 0.263 305 D C -1.815 174.481 176.300 -0.006 0.000 1.483 305 D CA -0.539 53.435 54.000 -0.043 0.000 1.036 305 D CB 0.211 41.010 40.800 -0.002 0.000 1.204 305 D HN 0.121 nan 8.370 nan 0.000 0.644 306 P HA -0.000 nan 4.420 nan 0.000 0.272 306 P C 1.438 178.769 177.300 0.052 0.000 1.254 306 P CA -0.431 62.714 63.100 0.074 0.000 0.795 306 P CB 0.404 32.184 31.700 0.132 0.000 1.022 307 I N -1.523 119.082 120.570 0.059 0.000 2.361 307 I HA -0.153 4.016 4.170 -0.001 0.000 0.251 307 I C 2.037 178.178 176.117 0.039 0.000 1.133 307 I CA 1.833 63.157 61.300 0.040 0.000 1.413 307 I CB -1.784 36.237 38.000 0.036 0.000 1.073 307 I HN 0.269 nan 8.210 nan 0.000 0.424 308 A N 1.089 123.941 122.820 0.054 0.000 1.940 308 A HA -0.181 4.138 4.320 -0.001 0.000 0.219 308 A C 1.432 179.039 177.584 0.039 0.000 1.176 308 A CA 1.758 53.825 52.037 0.051 0.000 0.631 308 A CB -0.602 18.442 19.000 0.072 0.000 0.814 308 A HN 0.610 nan 8.150 nan 0.000 0.446 309 K N -2.202 118.218 120.400 0.033 0.000 3.239 309 K HA -0.171 4.148 4.320 -0.001 0.000 0.270 309 K C 0.816 177.431 176.600 0.024 0.000 1.049 309 K CA 0.195 56.494 56.287 0.020 0.000 0.769 309 K CB -2.198 30.313 32.500 0.019 0.000 1.305 309 K HN 0.607 nan 8.250 nan 0.000 0.469 310 G N 0.191 109.009 108.800 0.031 0.000 2.408 310 G HA2 0.150 4.110 3.960 -0.001 0.000 0.215 310 G HA3 0.150 4.110 3.960 -0.001 0.000 0.215 310 G C 1.190 176.120 174.900 0.051 0.000 1.156 310 G CA 1.030 46.157 45.100 0.045 0.000 0.793 310 G HN 0.998 nan 8.290 nan 0.000 0.535 311 G N -1.106 107.714 108.800 0.033 0.000 2.179 311 G HA2 -0.281 3.678 3.960 -0.001 0.000 0.220 311 G HA3 -0.281 3.678 3.960 -0.001 0.000 0.220 311 G C 0.787 175.716 174.900 0.049 0.000 0.990 311 G CA 0.576 45.693 45.100 0.029 0.000 0.646 311 G HN 0.359 nan 8.290 nan 0.000 0.517 312 F N 2.774 122.672 119.950 -0.086 0.000 1.990 312 F HA 0.073 4.600 4.527 -0.001 0.000 0.294 312 F C 0.702 176.473 175.800 -0.049 0.000 1.177 312 F CA 2.406 60.391 58.000 -0.026 0.000 1.167 312 F CB -0.933 38.071 39.000 0.007 0.000 0.971 312 F HN 0.149 nan 8.300 nan 0.000 0.483 313 P HA -0.243 nan 4.420 nan 0.000 0.216 313 P C 1.378 178.525 177.300 -0.255 0.000 1.153 313 P CA 1.989 64.931 63.100 -0.263 0.000 0.858 313 P CB -0.229 31.282 31.700 -0.314 0.000 0.789 314 Q N -0.190 119.486 119.800 -0.208 0.000 2.156 314 Q HA -0.159 4.181 4.340 -0.001 0.000 0.211 314 Q C 2.466 178.350 176.000 -0.194 0.000 0.995 314 Q CA 2.630 58.323 55.803 -0.183 0.000 0.877 314 Q CB -1.429 27.247 28.738 -0.102 0.000 0.920 314 Q HN 0.388 nan 8.270 nan 0.000 0.416 315 G N -2.366 106.309 108.800 -0.209 0.000 2.459 315 G HA2 -0.099 3.860 3.960 -0.001 0.000 0.213 315 G HA3 -0.099 3.860 3.960 -0.001 0.000 0.213 315 G C 0.734 175.325 174.900 -0.515 0.000 1.155 315 G CA 0.261 45.179 45.100 -0.302 0.000 0.811 315 G HN 0.346 nan 8.290 nan 0.000 0.534 316 W N 0.094 121.126 121.300 -0.447 0.000 3.305 316 W HA 0.189 4.849 4.660 -0.001 0.000 0.252 316 W C 2.921 179.017 176.519 -0.705 0.000 0.929 316 W CA 0.793 57.760 57.345 -0.629 0.000 2.186 316 W CB -0.350 28.675 29.460 -0.725 0.000 1.174 316 W HN -0.079 nan 8.180 nan 0.000 0.589 317 T N 1.296 115.677 114.554 -0.290 0.000 2.597 317 T HA -0.263 4.086 4.350 -0.001 0.000 0.267 317 T C 1.671 176.013 174.700 -0.595 0.000 1.053 317 T CA 2.436 64.261 62.100 -0.459 0.000 1.165 317 T CB -0.912 67.742 68.868 -0.358 0.000 0.863 317 T HN -0.131 nan 8.240 nan 0.000 0.427 318 V N 1.594 121.277 119.914 -0.384 0.000 2.332 318 V HA -0.156 3.963 4.120 -0.001 0.000 0.248 318 V C 2.046 177.905 176.094 -0.392 0.000 1.055 318 V CA 2.074 64.175 62.300 -0.332 0.000 1.038 318 V CB -0.957 30.689 31.823 -0.296 0.000 0.651 318 V HN 0.526 nan 8.190 nan 0.000 0.450 319 F N 0.396 120.076 119.950 -0.450 0.000 2.102 319 F HA -0.188 4.338 4.527 -0.001 0.000 0.298 319 F C 2.334 178.058 175.800 -0.127 0.000 1.105 319 F CA 1.555 59.328 58.000 -0.378 0.000 1.239 319 F CB -0.800 37.967 39.000 -0.389 0.000 0.991 319 F HN 0.129 nan 8.300 nan 0.000 0.474 320 Y N -0.521 119.327 120.300 -0.753 0.000 2.207 320 Y HA -0.214 4.335 4.550 -0.001 0.000 0.287 320 Y C 2.198 178.065 175.900 -0.056 0.000 1.156 320 Y CA 1.202 58.933 58.100 -0.616 0.000 1.182 320 Y CB -1.357 36.665 38.460 -0.730 0.000 0.979 320 Y HN 0.193 nan 8.280 nan 0.000 0.521 321 W N -0.694 120.496 121.300 -0.185 0.000 2.409 321 W HA 0.012 4.672 4.660 -0.001 0.000 0.299 321 W C 2.692 179.165 176.519 -0.077 0.000 1.203 321 W CA 1.242 58.498 57.345 -0.148 0.000 1.298 321 W CB -1.361 28.005 29.460 -0.158 0.000 1.127 321 W HN -0.002 nan 8.180 nan 0.000 0.528 322 A N -0.192 122.554 122.820 -0.123 0.000 1.892 322 A HA -0.261 4.059 4.320 -0.001 0.000 0.218 322 A C 1.952 179.593 177.584 0.094 0.000 1.188 322 A CA 1.828 53.764 52.037 -0.169 0.000 0.631 322 A CB -1.523 17.190 19.000 -0.478 0.000 0.822 322 A HN 0.357 nan 8.150 nan 0.000 0.447 323 W N -0.811 120.440 121.300 -0.081 0.000 2.335 323 W HA -0.160 4.500 4.660 -0.001 0.000 0.311 323 W C 1.976 178.511 176.519 0.027 0.000 1.213 323 W CA 1.105 58.416 57.345 -0.056 0.000 1.274 323 W CB -1.100 28.310 29.460 -0.083 0.000 1.148 323 W HN 0.515 nan 8.180 nan 0.000 0.498 324 W N -0.258 121.121 121.300 0.131 0.000 2.363 324 W HA -0.171 4.489 4.660 -0.000 0.000 0.296 324 W C 2.492 179.114 176.519 0.172 0.000 1.212 324 W CA 2.017 59.390 57.345 0.048 0.000 1.260 324 W CB -1.071 28.249 29.460 -0.233 0.000 1.131 324 W HN -0.395 nan 8.180 nan 0.000 0.530 325 V N 0.456 120.537 119.914 0.278 0.000 2.287 325 V HA -0.328 3.791 4.120 -0.001 0.000 0.248 325 V C 2.012 178.169 176.094 0.105 0.000 1.053 325 V CA 1.878 64.248 62.300 0.117 0.000 1.027 325 V CB -0.828 30.993 31.823 -0.003 0.000 0.646 325 V HN 0.122 nan 8.190 nan 0.000 0.447 326 I N -1.183 119.419 120.570 0.052 0.000 2.142 326 I HA -0.257 3.912 4.170 -0.001 0.000 0.240 326 I C 1.699 177.735 176.117 -0.135 0.000 1.078 326 I CA 1.748 62.978 61.300 -0.116 0.000 1.343 326 I CB -0.294 37.546 38.000 -0.266 0.000 1.046 326 I HN 0.301 nan 8.210 nan 0.000 0.405 327 Y N 0.985 121.323 120.300 0.062 0.000 2.547 327 Y HA 0.275 4.824 4.550 -0.001 0.000 0.325 327 Y C 1.615 177.455 175.900 -0.101 0.000 1.165 327 Y CA -0.117 57.978 58.100 -0.009 0.000 1.300 327 Y CB -1.043 37.399 38.460 -0.030 0.000 1.126 327 Y HN 0.080 nan 8.280 nan 0.000 0.513 328 A N 1.082 123.902 122.820 0.000 0.000 1.889 328 A HA -0.131 4.188 4.320 -0.001 0.000 0.209 328 A C 2.225 179.590 177.584 -0.366 0.000 1.315 328 A CA 1.355 53.190 52.037 -0.336 0.000 0.611 328 A CB -1.067 17.932 19.000 -0.002 0.000 0.950 328 A HN 0.479 nan 8.150 nan 0.000 0.477 329 I N -0.290 120.202 120.570 -0.131 0.000 2.147 329 I HA -0.430 3.740 4.170 -0.001 0.000 0.245 329 I C 2.377 178.276 176.117 -0.364 0.000 1.059 329 I CA 3.195 64.352 61.300 -0.238 0.000 1.320 329 I CB -0.967 37.014 38.000 -0.032 0.000 1.021 329 I HN 0.682 nan 8.210 nan 0.000 0.415 330 Q N 0.153 119.880 119.800 -0.121 0.000 2.029 330 Q HA -0.288 4.052 4.340 -0.001 0.000 0.209 330 Q C 2.282 178.237 176.000 -0.075 0.000 0.999 330 Q CA 2.778 58.554 55.803 -0.044 0.000 0.857 330 Q CB -0.418 28.380 28.738 0.100 0.000 0.926 330 Q HN 0.623 nan 8.270 nan 0.000 0.415 331 M N 0.026 119.559 119.600 -0.111 0.000 2.374 331 M HA -0.056 4.423 4.480 -0.001 0.000 0.264 331 M C 1.936 178.229 176.300 -0.012 0.000 1.067 331 M CA 1.192 56.458 55.300 -0.056 0.000 1.103 331 M CB -0.330 32.268 32.600 -0.003 0.000 1.402 331 M HN 0.303 nan 8.290 nan 0.000 0.444 332 S N 0.922 116.511 115.700 -0.185 0.000 2.406 332 S HA -0.019 4.451 4.470 -0.001 0.000 0.224 332 S C 1.823 176.348 174.600 -0.126 0.000 1.030 332 S CA 0.880 58.997 58.200 -0.139 0.000 0.958 332 S CB -0.252 62.832 63.200 -0.193 0.000 0.811 332 S HN 0.666 nan 8.310 nan 0.000 0.489 333 I N -0.239 120.150 120.570 -0.301 0.000 2.151 333 I HA -0.223 3.947 4.170 -0.001 0.000 0.243 333 I C 2.125 178.338 176.117 0.159 0.000 1.080 333 I CA 1.772 63.010 61.300 -0.103 0.000 1.339 333 I CB -0.602 37.338 38.000 -0.100 0.000 1.039 333 I HN 0.245 nan 8.210 nan 0.000 0.409 334 F N 2.037 121.996 119.950 0.016 0.000 2.025 334 F HA -0.226 4.301 4.527 -0.001 0.000 0.297 334 F C 2.207 178.056 175.800 0.082 0.000 1.132 334 F CA 2.267 60.300 58.000 0.055 0.000 1.191 334 F CB -0.456 38.549 39.000 0.009 0.000 0.963 334 F HN -0.019 nan 8.300 nan 0.000 0.481 335 L N -0.044 121.329 121.223 0.251 0.000 2.079 335 L HA -0.231 4.109 4.340 -0.001 0.000 0.210 335 L C 2.754 179.707 176.870 0.139 0.000 1.081 335 L CA 1.128 56.064 54.840 0.159 0.000 0.752 335 L CB -1.192 40.996 42.059 0.215 0.000 0.896 335 L HN 0.332 nan 8.230 nan 0.000 0.433 336 A N 0.052 122.956 122.820 0.140 0.000 1.845 336 A HA -0.183 4.136 4.320 -0.001 0.000 0.215 336 A C 2.347 180.136 177.584 0.341 0.000 1.195 336 A CA 1.306 53.449 52.037 0.177 0.000 0.616 336 A CB -0.495 18.529 19.000 0.041 0.000 0.832 336 A HN 0.283 nan 8.150 nan 0.000 0.443 337 R N -0.322 120.378 120.500 0.332 0.000 2.249 337 R HA -0.148 4.191 4.340 -0.001 0.000 0.230 337 R C 1.367 177.800 176.300 0.221 0.000 1.121 337 R CA 1.603 57.928 56.100 0.375 0.000 0.997 337 R CB -0.584 29.858 30.300 0.236 0.000 0.867 337 R HN 0.821 nan 8.270 nan 0.000 0.465 338 I N -3.825 116.763 120.570 0.030 0.000 3.928 338 I HA 0.191 4.360 4.170 -0.001 0.000 0.335 338 I C 0.335 176.470 176.117 0.029 0.000 1.325 338 I CA 0.310 61.529 61.300 -0.135 0.000 1.107 338 I CB 1.056 38.748 38.000 -0.513 0.000 1.014 338 I HN -0.281 nan 8.210 nan 0.000 0.400 339 S N 1.139 116.941 115.700 0.170 0.000 2.422 339 S HA 0.336 4.806 4.470 -0.001 0.000 0.226 339 S C 1.235 175.883 174.600 0.081 0.000 1.242 339 S CA -0.590 57.630 58.200 0.032 0.000 1.231 339 S CB 0.065 63.374 63.200 0.181 0.000 1.067 339 S HN 0.429 nan 8.310 nan 0.000 0.462 340 R N 1.602 122.078 120.500 -0.040 0.000 2.088 340 R HA -0.106 4.233 4.340 -0.001 0.000 0.232 340 R C 2.069 178.265 176.300 -0.173 0.000 1.136 340 R CA 2.140 58.045 56.100 -0.326 0.000 0.926 340 R CB -0.674 29.317 30.300 -0.514 0.000 0.837 340 R HN 0.502 nan 8.270 nan 0.000 0.429 341 G N 0.253 108.933 108.800 -0.200 0.000 2.623 341 G HA2 -0.068 3.891 3.960 -0.001 0.000 0.214 341 G HA3 -0.068 3.891 3.960 -0.001 0.000 0.214 341 G C 0.199 175.002 174.900 -0.162 0.000 1.138 341 G CA -0.269 44.727 45.100 -0.173 0.000 0.794 341 G HN 0.170 nan 8.290 nan 0.000 0.535 342 R N 0.973 121.336 120.500 -0.227 0.000 2.734 342 R HA 0.364 4.704 4.340 -0.001 0.000 0.266 342 R C 0.706 176.941 176.300 -0.108 0.000 1.044 342 R CA 0.139 56.082 56.100 -0.262 0.000 1.128 342 R CB 0.024 30.049 30.300 -0.458 0.000 1.010 342 R HN 0.060 nan 8.270 nan 0.000 0.461 343 T N 0.267 114.757 114.554 -0.107 0.000 2.813 343 T HA 0.046 4.396 4.350 -0.001 0.000 0.297 343 T C 1.528 176.199 174.700 -0.048 0.000 1.036 343 T CA -0.793 61.268 62.100 -0.065 0.000 1.044 343 T CB 0.780 69.582 68.868 -0.109 0.000 0.993 343 T HN 0.220 nan 8.240 nan 0.000 0.535 344 V N 1.087 120.979 119.914 -0.036 0.000 2.295 344 V HA -0.161 3.959 4.120 -0.001 0.000 0.246 344 V C 2.773 178.760 176.094 -0.178 0.000 1.049 344 V CA 1.903 64.161 62.300 -0.071 0.000 1.024 344 V CB -0.725 31.057 31.823 -0.067 0.000 0.648 344 V HN 0.752 nan 8.190 nan 0.000 0.447 345 R N -0.050 120.276 120.500 -0.289 0.000 2.091 345 R HA -0.200 4.139 4.340 -0.001 0.000 0.238 345 R C 2.290 178.325 176.300 -0.442 0.000 1.136 345 R CA 1.949 57.744 56.100 -0.507 0.000 0.959 345 R CB -0.290 29.630 30.300 -0.633 0.000 0.856 345 R HN 0.612 nan 8.270 nan 0.000 0.437 346 E N 0.013 120.073 120.200 -0.234 0.000 2.033 346 E HA -0.262 4.088 4.350 -0.001 0.000 0.199 346 E C 1.949 178.731 176.600 0.303 0.000 1.011 346 E CA 1.651 58.051 56.400 -0.001 0.000 0.815 346 E CB -0.233 29.462 29.700 -0.008 0.000 0.755 346 E HN 0.219 nan 8.360 nan 0.000 0.451 347 L N 0.907 122.296 121.223 0.277 0.000 1.990 347 L HA -0.239 4.101 4.340 -0.001 0.000 0.213 347 L C 2.459 179.501 176.870 0.286 0.000 1.072 347 L CA 1.787 56.877 54.840 0.417 0.000 0.755 347 L CB -0.716 41.495 42.059 0.252 0.000 0.889 347 L HN 0.252 nan 8.230 nan 0.000 0.432 348 C N -0.882 118.505 119.300 0.146 0.000 2.391 348 C HA -0.218 4.242 4.460 -0.001 0.000 0.276 348 C C 2.509 177.841 174.990 0.571 0.000 1.217 348 C CA 0.953 60.078 59.018 0.179 0.000 1.766 348 C CB -1.253 26.277 27.740 -0.349 0.000 2.046 348 C HN 0.598 nan 8.230 nan 0.000 0.475 349 F N 0.872 120.885 119.950 0.104 0.000 2.074 349 F HA 0.143 4.670 4.527 -0.001 0.000 0.290 349 F C 2.549 178.369 175.800 0.033 0.000 1.118 349 F CA 1.239 59.320 58.000 0.136 0.000 1.199 349 F CB -1.823 37.217 39.000 0.067 0.000 1.012 349 F HN 0.227 nan 8.300 nan 0.000 0.472 350 G N 1.328 110.253 108.800 0.210 0.000 2.624 350 G HA2 -0.369 3.590 3.960 -0.001 0.000 0.221 350 G HA3 -0.369 3.590 3.960 -0.001 0.000 0.221 350 G C 1.675 176.365 174.900 -0.349 0.000 1.169 350 G CA 1.925 46.881 45.100 -0.240 0.000 0.771 350 G HN 0.427 nan 8.290 nan 0.000 0.598 351 M N -0.314 119.169 119.600 -0.194 0.000 2.099 351 M HA 0.033 4.513 4.480 -0.001 0.000 0.262 351 M C 2.434 178.579 176.300 -0.259 0.000 1.067 351 M CA 1.804 56.968 55.300 -0.225 0.000 1.124 351 M CB -0.788 31.792 32.600 -0.034 0.000 1.353 351 M HN 0.032 nan 8.290 nan 0.000 0.410 352 V N 1.943 121.798 119.914 -0.098 0.000 2.261 352 V HA -0.258 3.862 4.120 -0.001 0.000 0.246 352 V C 2.757 178.699 176.094 -0.253 0.000 1.047 352 V CA 1.953 64.157 62.300 -0.161 0.000 1.015 352 V CB -0.787 30.964 31.823 -0.119 0.000 0.642 352 V HN 0.525 nan 8.190 nan 0.000 0.446 353 L N 0.058 121.166 121.223 -0.192 0.000 1.933 353 L HA -0.137 4.203 4.340 -0.001 0.000 0.220 353 L C 2.749 179.491 176.870 -0.214 0.000 1.078 353 L CA 2.139 56.868 54.840 -0.185 0.000 0.773 353 L CB -1.718 40.273 42.059 -0.113 0.000 0.890 353 L HN 0.453 nan 8.230 nan 0.000 0.434 354 G N 0.463 109.117 108.800 -0.245 0.000 2.599 354 G HA2 -0.289 3.670 3.960 -0.001 0.000 0.219 354 G HA3 -0.289 3.670 3.960 -0.001 0.000 0.219 354 G C 1.585 176.294 174.900 -0.319 0.000 1.193 354 G CA 1.446 46.403 45.100 -0.239 0.000 0.778 354 G HN 0.267 nan 8.290 nan 0.000 0.589 355 L N -0.515 120.367 121.223 -0.568 0.000 2.027 355 L HA -0.021 4.318 4.340 -0.001 0.000 0.206 355 L C 3.079 179.567 176.870 -0.637 0.000 1.074 355 L CA 1.477 55.754 54.840 -0.939 0.000 0.745 355 L CB -0.872 40.003 42.059 -1.973 0.000 0.898 355 L HN 0.235 nan 8.230 nan 0.000 0.433 356 T N -0.410 113.866 114.554 -0.463 0.000 2.803 356 T HA -0.158 4.192 4.350 -0.001 0.000 0.269 356 T C 1.847 176.426 174.700 -0.202 0.000 1.052 356 T CA 1.301 63.269 62.100 -0.219 0.000 1.136 356 T CB -0.020 68.564 68.868 -0.474 0.000 0.864 356 T HN 0.439 nan 8.240 nan 0.000 0.467 357 A N 0.751 123.484 122.820 -0.145 0.000 1.898 357 A HA -0.032 4.287 4.320 -0.001 0.000 0.216 357 A C 2.602 180.176 177.584 -0.016 0.000 1.181 357 A CA 2.165 54.223 52.037 0.035 0.000 0.620 357 A CB -0.873 18.226 19.000 0.166 0.000 0.819 357 A HN 0.635 nan 8.150 nan 0.000 0.442 358 S N -1.885 113.587 115.700 -0.380 0.000 2.395 358 S HA -0.110 4.359 4.470 -0.001 0.000 0.225 358 S C 2.011 176.514 174.600 -0.161 0.000 1.027 358 S CA 1.927 59.634 58.200 -0.821 0.000 0.965 358 S CB -0.812 61.657 63.200 -1.219 0.000 0.812 358 S HN 0.442 nan 8.310 nan 0.000 0.482 359 T N 0.130 114.743 114.554 0.099 0.000 2.812 359 T HA -0.004 4.346 4.350 -0.001 0.000 0.264 359 T C 1.323 176.337 174.700 0.523 0.000 1.042 359 T CA 1.290 63.620 62.100 0.384 0.000 1.140 359 T CB -0.426 68.782 68.868 0.567 0.000 0.870 359 T HN 0.575 nan 8.240 nan 0.000 0.445 360 W N 1.450 122.886 121.300 0.227 0.000 2.352 360 W HA 0.083 4.742 4.660 -0.001 0.000 0.322 360 W C 2.209 178.860 176.519 0.220 0.000 1.208 360 W CA -0.013 57.480 57.345 0.247 0.000 1.286 360 W CB -1.396 28.212 29.460 0.247 0.000 1.167 360 W HN 0.258 nan 8.180 nan 0.000 0.469 361 I N -0.114 120.656 120.570 0.334 0.000 2.121 361 I HA -0.423 3.746 4.170 -0.001 0.000 0.243 361 I C 2.494 178.742 176.117 0.218 0.000 1.047 361 I CA 1.764 63.165 61.300 0.168 0.000 1.308 361 I CB -1.066 36.987 38.000 0.088 0.000 1.015 361 I HN -0.034 nan 8.210 nan 0.000 0.410 362 L N 0.211 121.585 121.223 0.251 0.000 1.944 362 L HA -0.290 4.049 4.340 -0.001 0.000 0.218 362 L C 2.457 179.473 176.870 0.244 0.000 1.075 362 L CA 2.051 57.016 54.840 0.208 0.000 0.767 362 L CB -0.550 41.617 42.059 0.181 0.000 0.890 362 L HN 0.325 nan 8.230 nan 0.000 0.434 363 W N -0.327 121.050 121.300 0.127 0.000 2.374 363 W HA -0.219 4.441 4.660 -0.000 0.000 0.288 363 W C 2.753 179.381 176.519 0.182 0.000 1.218 363 W CA 1.678 59.108 57.345 0.142 0.000 1.245 363 W CB -0.697 28.848 29.460 0.141 0.000 1.126 363 W HN 0.483 nan 8.180 nan 0.000 0.545 364 T N -1.546 113.245 114.554 0.395 0.000 2.857 364 T HA -0.134 4.216 4.350 -0.001 0.000 0.266 364 T C 1.783 176.664 174.700 0.300 0.000 1.048 364 T CA 1.690 63.973 62.100 0.305 0.000 1.139 364 T CB -0.611 68.416 68.868 0.265 0.000 0.874 364 T HN -0.138 nan 8.240 nan 0.000 0.455 365 V N 1.579 121.654 119.914 0.269 0.000 2.229 365 V HA 0.012 4.132 4.120 -0.001 0.000 0.243 365 V C 2.878 179.123 176.094 0.252 0.000 1.042 365 V CA 1.729 64.193 62.300 0.273 0.000 1.000 365 V CB -0.801 31.173 31.823 0.251 0.000 0.637 365 V HN 0.442 nan 8.190 nan 0.000 0.446 366 L N 0.355 121.703 121.223 0.209 0.000 2.127 366 L HA -0.127 4.212 4.340 -0.001 0.000 0.211 366 L C 2.420 179.413 176.870 0.205 0.000 1.089 366 L CA 1.756 56.722 54.840 0.210 0.000 0.757 366 L CB -0.871 41.274 42.059 0.143 0.000 0.899 366 L HN 0.538 nan 8.230 nan 0.000 0.434 367 G N -1.918 107.017 108.800 0.226 0.000 2.539 367 G HA2 -0.106 3.854 3.960 -0.001 0.000 0.215 367 G HA3 -0.106 3.854 3.960 -0.001 0.000 0.215 367 G C 1.663 176.761 174.900 0.329 0.000 1.141 367 G CA 0.498 45.759 45.100 0.269 0.000 0.806 367 G HN 0.292 nan 8.290 nan 0.000 0.533 368 S N 1.184 117.107 115.700 0.371 0.000 2.338 368 S HA -0.157 4.312 4.470 -0.001 0.000 0.218 368 S C 2.208 176.981 174.600 0.289 0.000 1.032 368 S CA 1.315 59.780 58.200 0.443 0.000 0.999 368 S CB -0.429 63.074 63.200 0.505 0.000 0.905 368 S HN 0.543 nan 8.310 nan 0.000 0.439 369 N N 1.283 120.118 118.700 0.226 0.000 2.096 369 N HA -0.176 4.564 4.740 -0.001 0.000 0.195 369 N C 1.473 177.030 175.510 0.079 0.000 1.017 369 N CA 2.412 55.538 53.050 0.127 0.000 0.870 369 N CB -0.658 37.910 38.487 0.136 0.000 1.024 369 N HN 0.327 nan 8.380 nan 0.000 0.434 370 T N 0.510 115.127 114.554 0.104 0.000 2.674 370 T HA -0.120 4.230 4.350 -0.001 0.000 0.265 370 T C 1.870 176.605 174.700 0.057 0.000 1.039 370 T CA 1.247 63.377 62.100 0.050 0.000 1.150 370 T CB -0.559 68.344 68.868 0.058 0.000 0.864 370 T HN 0.334 nan 8.240 nan 0.000 0.427 371 L N 0.863 122.158 121.223 0.120 0.000 2.013 371 L HA -0.096 4.244 4.340 -0.001 0.000 0.212 371 L C 2.134 178.997 176.870 -0.011 0.000 1.073 371 L CA 1.543 56.437 54.840 0.090 0.000 0.753 371 L CB -0.700 41.443 42.059 0.140 0.000 0.890 371 L HN 0.085 nan 8.230 nan 0.000 0.432 372 L N -0.783 120.406 121.223 -0.057 0.000 1.971 372 L HA -0.265 4.074 4.340 -0.001 0.000 0.215 372 L C 2.511 179.309 176.870 -0.121 0.000 1.072 372 L CA 1.820 56.554 54.840 -0.176 0.000 0.758 372 L CB -1.394 40.533 42.059 -0.220 0.000 0.889 372 L HN 0.283 nan 8.230 nan 0.000 0.433 373 L N -0.667 120.507 121.223 -0.082 0.000 1.978 373 L HA -0.268 4.071 4.340 -0.001 0.000 0.218 373 L C 2.517 179.345 176.870 -0.070 0.000 1.075 373 L CA 2.215 57.007 54.840 -0.079 0.000 0.767 373 L CB -1.008 41.002 42.059 -0.083 0.000 0.890 373 L HN 0.414 nan 8.230 nan 0.000 0.434 374 I N -1.316 119.225 120.570 -0.047 0.000 2.208 374 I HA -0.297 3.873 4.170 -0.001 0.000 0.245 374 I C 2.120 178.219 176.117 -0.029 0.000 1.097 374 I CA 2.007 63.293 61.300 -0.023 0.000 1.363 374 I CB -0.232 37.793 38.000 0.041 0.000 1.051 374 I HN 0.364 nan 8.210 nan 0.000 0.413 375 D N 1.513 121.886 120.400 -0.045 0.000 2.087 375 D HA -0.165 4.475 4.640 -0.001 0.000 0.210 375 D C 0.714 176.975 176.300 -0.066 0.000 0.973 375 D CA 1.459 55.425 54.000 -0.057 0.000 0.882 375 D CB -0.328 40.418 40.800 -0.090 0.000 1.019 375 D HN 0.487 nan 8.370 nan 0.000 0.450 376 K N 0.846 121.190 120.400 -0.094 0.000 2.472 376 K HA -0.021 4.299 4.320 -0.001 0.000 0.280 376 K C -0.672 175.889 176.600 -0.067 0.000 1.028 376 K CA -0.014 56.223 56.287 -0.084 0.000 1.045 376 K CB -0.318 32.119 32.500 -0.105 0.000 0.902 376 K HN 0.190 nan 8.250 nan 0.000 0.478 377 N N 3.995 122.664 118.700 -0.052 0.000 2.598 377 N HA -0.013 4.727 4.740 -0.001 0.000 0.300 377 N C 0.186 175.669 175.510 -0.046 0.000 1.224 377 N CA 0.053 53.077 53.050 -0.044 0.000 1.125 377 N CB 0.235 38.702 38.487 -0.034 0.000 1.468 377 N HN 0.783 nan 8.380 nan 0.000 0.504 378 I N -0.448 120.090 120.570 -0.054 0.000 4.244 378 I HA 0.348 4.518 4.170 -0.001 0.000 0.318 378 I C -0.170 175.915 176.117 -0.053 0.000 1.282 378 I CA 0.166 61.435 61.300 -0.051 0.000 1.276 378 I CB 0.621 38.586 38.000 -0.058 0.000 1.183 378 I HN 0.309 nan 8.210 nan 0.000 0.431 379 I N 1.811 122.340 120.570 -0.068 0.000 2.834 379 I HA 0.124 4.294 4.170 -0.001 0.000 0.276 379 I C -0.707 175.353 176.117 -0.095 0.000 1.522 379 I CA -0.355 60.895 61.300 -0.083 0.000 0.858 379 I CB 0.614 38.551 38.000 -0.105 0.000 1.585 379 I HN 0.012 nan 8.210 nan 0.000 0.574 380 N N 3.251 121.908 118.700 -0.071 0.000 2.747 380 N HA 0.098 4.838 4.740 -0.001 0.000 0.252 380 N C 1.105 176.564 175.510 -0.087 0.000 1.352 380 N CA 0.546 53.557 53.050 -0.065 0.000 0.960 380 N CB -0.065 38.397 38.487 -0.041 0.000 1.303 380 N HN 0.595 nan 8.380 nan 0.000 0.518 381 I N 0.165 120.657 120.570 -0.131 0.000 2.729 381 I HA 0.042 4.212 4.170 -0.001 0.000 0.256 381 I C -0.755 175.210 176.117 -0.252 0.000 1.115 381 I CA -0.211 60.987 61.300 -0.171 0.000 1.446 381 I CB -0.588 37.306 38.000 -0.176 0.000 1.176 381 I HN 0.047 nan 8.210 nan 0.000 0.446 382 P HA -0.216 nan 4.420 nan 0.000 0.216 382 P C 0.820 177.841 177.300 -0.465 0.000 1.167 382 P CA 1.963 64.709 63.100 -0.590 0.000 0.914 382 P CB -0.443 30.676 31.700 -0.968 0.000 0.793 383 N N -0.002 118.548 118.700 -0.250 0.000 2.036 383 N HA -0.212 4.527 4.740 -0.001 0.000 0.199 383 N C 1.823 177.282 175.510 -0.086 0.000 1.036 383 N CA 1.621 54.639 53.050 -0.053 0.000 0.870 383 N CB -1.651 36.853 38.487 0.029 0.000 1.055 383 N HN 0.178 nan 8.380 nan 0.000 0.436 384 L N -0.003 121.156 121.223 -0.106 0.000 2.072 384 L HA 0.115 4.455 4.340 -0.001 0.000 0.205 384 L C 2.270 179.053 176.870 -0.145 0.000 1.079 384 L CA 0.870 55.657 54.840 -0.089 0.000 0.752 384 L CB -0.245 41.774 42.059 -0.066 0.000 0.906 384 L HN 0.162 nan 8.230 nan 0.000 0.436 385 I N -0.122 120.300 120.570 -0.247 0.000 2.756 385 I HA -0.225 3.944 4.170 -0.001 0.000 0.262 385 I C 1.783 177.661 176.117 -0.399 0.000 1.225 385 I CA 0.695 61.747 61.300 -0.414 0.000 1.472 385 I CB -0.036 37.682 38.000 -0.469 0.000 1.094 385 I HN 0.283 nan 8.210 nan 0.000 0.454 386 E N 0.712 120.762 120.200 -0.249 0.000 2.472 386 E HA -0.179 4.171 4.350 -0.001 0.000 0.200 386 E C 1.537 178.095 176.600 -0.070 0.000 1.046 386 E CA 0.523 56.834 56.400 -0.148 0.000 0.871 386 E CB -0.166 29.490 29.700 -0.074 0.000 0.806 386 E HN 0.631 nan 8.360 nan 0.000 0.533 387 Q N -0.276 119.486 119.800 -0.063 0.000 2.403 387 Q HA -0.016 4.324 4.340 -0.001 0.000 0.203 387 Q C 0.107 176.213 176.000 0.177 0.000 0.932 387 Q CA 0.152 55.984 55.803 0.049 0.000 0.945 387 Q CB -0.349 28.430 28.738 0.069 0.000 1.045 387 Q HN 0.440 nan 8.270 nan 0.000 0.511 388 Y N -2.699 117.576 120.300 -0.042 0.000 2.347 388 Y HA 0.570 5.120 4.550 -0.000 0.000 0.339 388 Y C -0.010 175.842 175.900 -0.080 0.000 1.152 388 Y CA -0.878 57.194 58.100 -0.046 0.000 1.321 388 Y CB 0.545 38.975 38.460 -0.051 0.000 1.137 388 Y HN 0.109 nan 8.280 nan 0.000 0.486 389 G N 1.000 109.770 108.800 -0.049 0.000 3.190 389 G HA2 -0.072 3.887 3.960 -0.001 0.000 0.686 389 G HA3 -0.072 3.887 3.960 -0.001 0.000 0.686 389 G C -0.099 174.707 174.900 -0.156 0.000 1.033 389 G CA -0.412 44.639 45.100 -0.082 0.000 0.797 389 G HN 0.933 nan 8.290 nan 0.000 0.567 390 V N 3.093 122.961 119.914 -0.076 0.000 2.255 390 V HA -0.001 4.118 4.120 -0.001 0.000 0.243 390 V C 3.407 179.355 176.094 -0.243 0.000 1.038 390 V CA 2.980 65.202 62.300 -0.130 0.000 1.008 390 V CB -1.352 30.482 31.823 0.019 0.000 0.645 390 V HN 1.963 nan 8.190 nan 0.000 0.449 391 A N 0.047 122.789 122.820 -0.130 0.000 1.985 391 A HA -0.351 3.968 4.320 -0.001 0.000 0.223 391 A C 2.335 179.776 177.584 -0.238 0.000 1.189 391 A CA 2.401 54.357 52.037 -0.134 0.000 0.658 391 A CB -0.640 18.389 19.000 0.049 0.000 0.820 391 A HN 0.385 nan 8.150 nan 0.000 0.464 392 R N -0.680 119.680 120.500 -0.233 0.000 2.127 392 R HA -0.160 4.180 4.340 -0.001 0.000 0.228 392 R C 2.560 178.622 176.300 -0.397 0.000 1.125 392 R CA 1.884 57.811 56.100 -0.289 0.000 0.904 392 R CB -1.475 28.613 30.300 -0.354 0.000 0.831 392 R HN 0.538 nan 8.270 nan 0.000 0.431 393 A N 1.143 123.699 122.820 -0.439 0.000 1.954 393 A HA -0.240 4.080 4.320 -0.001 0.000 0.222 393 A C 2.448 179.673 177.584 -0.599 0.000 1.199 393 A CA 2.270 54.011 52.037 -0.492 0.000 0.657 393 A CB -0.856 17.834 19.000 -0.517 0.000 0.823 393 A HN 0.436 nan 8.150 nan 0.000 0.463 394 I N 0.134 120.298 120.570 -0.678 0.000 2.226 394 I HA -0.223 3.946 4.170 -0.001 0.000 0.245 394 I C 2.430 177.662 176.117 -1.475 0.000 1.100 394 I CA 1.442 62.164 61.300 -0.964 0.000 1.374 394 I CB -0.399 37.084 38.000 -0.861 0.000 1.057 394 I HN 0.593 nan 8.210 nan 0.000 0.413 395 I N 0.260 120.155 120.570 -1.126 0.000 2.439 395 I HA -0.145 4.025 4.170 -0.001 0.000 0.251 395 I C 2.134 177.746 176.117 -0.842 0.000 1.139 395 I CA 1.684 62.268 61.300 -1.194 0.000 1.438 395 I CB -0.778 36.869 38.000 -0.588 0.000 1.085 395 I HN 0.227 nan 8.210 nan 0.000 0.427 396 E N 1.421 121.256 120.200 -0.609 0.000 2.085 396 E HA -0.178 4.171 4.350 -0.001 0.000 0.194 396 E C 2.150 178.509 176.600 -0.402 0.000 0.994 396 E CA 1.962 58.116 56.400 -0.410 0.000 0.801 396 E CB -0.688 28.827 29.700 -0.308 0.000 0.743 396 E HN 0.517 nan 8.360 nan 0.000 0.453 397 T N 0.441 114.680 114.554 -0.525 0.000 2.699 397 T HA -0.190 4.160 4.350 -0.001 0.000 0.268 397 T C 1.644 176.191 174.700 -0.255 0.000 1.036 397 T CA 1.651 63.499 62.100 -0.420 0.000 1.147 397 T CB -0.407 68.135 68.868 -0.545 0.000 0.862 397 T HN 0.408 nan 8.240 nan 0.000 0.446 398 W N 1.238 122.239 121.300 -0.499 0.000 2.408 398 W HA 0.106 4.766 4.660 -0.001 0.000 0.311 398 W C 2.929 179.177 176.519 -0.451 0.000 1.190 398 W CA 0.004 56.944 57.345 -0.674 0.000 1.321 398 W CB -0.613 28.141 29.460 -1.177 0.000 1.143 398 W HN 0.142 nan 8.180 nan 0.000 0.501 399 A N 1.591 124.220 122.820 -0.317 0.000 1.884 399 A HA -0.248 4.071 4.320 -0.001 0.000 0.219 399 A C 2.008 179.538 177.584 -0.090 0.000 1.197 399 A CA 2.729 54.542 52.037 -0.373 0.000 0.637 399 A CB -1.501 17.198 19.000 -0.503 0.000 0.827 399 A HN 0.294 nan 8.150 nan 0.000 0.450 400 A N -1.338 121.435 122.820 -0.078 0.000 2.309 400 A HA 0.256 4.576 4.320 -0.001 0.000 0.210 400 A C 0.789 178.383 177.584 0.016 0.000 1.216 400 A CA 0.631 52.656 52.037 -0.020 0.000 0.731 400 A CB -0.763 18.203 19.000 -0.057 0.000 0.762 400 A HN 0.458 nan 8.150 nan 0.000 0.497 401 L N -0.716 120.539 121.223 0.053 0.000 2.352 401 L HA 0.387 4.727 4.340 -0.001 0.000 0.269 401 L C -2.262 174.716 176.870 0.179 0.000 1.034 401 L CA -2.577 52.325 54.840 0.102 0.000 0.806 401 L CB 1.074 43.233 42.059 0.167 0.000 1.244 401 L HN -0.080 nan 8.230 nan 0.000 0.447 402 P HA 0.040 nan 4.420 nan 0.000 0.265 402 P C -0.378 177.194 177.300 0.453 0.000 1.187 402 P CA -0.020 63.245 63.100 0.276 0.000 0.766 402 P CB 0.214 32.048 31.700 0.223 0.000 0.820 403 L N 0.802 122.213 121.223 0.314 0.000 3.762 403 L HA -0.239 4.101 4.340 -0.001 0.000 0.460 403 L C 1.166 178.175 176.870 0.233 0.000 1.255 403 L CA 0.395 55.372 54.840 0.230 0.000 0.783 403 L CB -2.472 39.676 42.059 0.147 0.000 1.600 403 L HN 0.411 nan 8.230 nan 0.000 0.862 404 S N -1.402 114.442 115.700 0.241 0.000 2.776 404 S HA -0.069 4.400 4.470 -0.001 0.000 0.242 404 S C 1.401 176.182 174.600 0.302 0.000 0.977 404 S CA 1.426 59.776 58.200 0.250 0.000 0.985 404 S CB -0.273 63.089 63.200 0.271 0.000 0.782 404 S HN 0.687 nan 8.310 nan 0.000 0.542 405 T N 0.039 114.750 114.554 0.261 0.000 3.182 405 T HA 0.349 4.699 4.350 -0.001 0.000 0.244 405 T C 2.141 177.021 174.700 0.300 0.000 0.981 405 T CA 0.360 62.643 62.100 0.306 0.000 1.182 405 T CB -0.871 68.146 68.868 0.249 0.000 1.043 405 T HN 0.334 nan 8.240 nan 0.000 0.424 406 A N 2.366 125.283 122.820 0.162 0.000 1.940 406 A HA -0.147 4.172 4.320 -0.001 0.000 0.219 406 A C 2.526 180.166 177.584 0.094 0.000 1.176 406 A CA 2.599 54.677 52.037 0.069 0.000 0.631 406 A CB -1.497 17.447 19.000 -0.094 0.000 0.814 406 A HN 0.663 nan 8.150 nan 0.000 0.446 407 T N -2.691 111.928 114.554 0.108 0.000 2.564 407 T HA -0.182 4.167 4.350 -0.001 0.000 0.259 407 T C 1.825 176.719 174.700 0.324 0.000 1.087 407 T CA 1.685 63.916 62.100 0.219 0.000 1.184 407 T CB -0.496 68.587 68.868 0.358 0.000 0.864 407 T HN 0.185 nan 8.240 nan 0.000 0.403 408 M N -0.414 119.326 119.600 0.235 0.000 2.255 408 M HA -0.076 4.404 4.480 -0.001 0.000 0.259 408 M C 1.939 178.360 176.300 0.202 0.000 1.071 408 M CA 1.292 56.679 55.300 0.144 0.000 1.074 408 M CB -1.266 31.312 32.600 -0.037 0.000 1.384 408 M HN 0.496 nan 8.290 nan 0.000 0.415 409 W N 0.018 121.408 121.300 0.151 0.000 2.452 409 W HA -0.026 4.633 4.660 -0.001 0.000 0.313 409 W C 2.581 179.196 176.519 0.159 0.000 1.176 409 W CA 1.510 58.942 57.345 0.144 0.000 1.350 409 W CB -0.959 28.537 29.460 0.060 0.000 1.148 409 W HN 0.303 nan 8.180 nan 0.000 0.498 410 G N -0.275 108.735 108.800 0.349 0.000 2.503 410 G HA2 -0.334 3.626 3.960 -0.001 0.000 0.221 410 G HA3 -0.334 3.626 3.960 -0.001 0.000 0.221 410 G C 1.312 176.223 174.900 0.018 0.000 1.131 410 G CA 1.079 46.257 45.100 0.129 0.000 0.756 410 G HN 0.207 nan 8.290 nan 0.000 0.572 411 F N -0.654 119.283 119.950 -0.022 0.000 2.206 411 F HA 0.160 4.687 4.527 -0.001 0.000 0.298 411 F C 2.167 177.967 175.800 0.001 0.000 1.090 411 F CA 0.874 58.776 58.000 -0.163 0.000 1.323 411 F CB -0.228 38.528 39.000 -0.407 0.000 1.028 411 F HN 0.179 nan 8.300 nan 0.000 0.492 412 F N 0.343 120.366 119.950 0.123 0.000 2.128 412 F HA -0.171 4.355 4.527 -0.001 0.000 0.295 412 F C 2.057 177.934 175.800 0.128 0.000 1.100 412 F CA 1.328 59.371 58.000 0.071 0.000 1.260 412 F CB -0.323 38.590 39.000 -0.145 0.000 1.009 412 F HN -0.212 nan 8.300 nan 0.000 0.476 413 I N 0.865 121.513 120.570 0.130 0.000 2.133 413 I HA -0.255 3.915 4.170 -0.001 0.000 0.238 413 I C 2.668 178.811 176.117 0.043 0.000 1.074 413 I CA 1.097 62.443 61.300 0.076 0.000 1.342 413 I CB -1.671 36.479 38.000 0.250 0.000 1.053 413 I HN 0.284 nan 8.210 nan 0.000 0.404 414 L N 0.425 121.644 121.223 -0.007 0.000 2.079 414 L HA -0.267 4.073 4.340 -0.001 0.000 0.210 414 L C 2.565 179.390 176.870 -0.076 0.000 1.081 414 L CA 1.958 56.747 54.840 -0.085 0.000 0.752 414 L CB -0.678 41.247 42.059 -0.223 0.000 0.896 414 L HN 0.337 nan 8.230 nan 0.000 0.433 415 C N -0.586 118.687 119.300 -0.046 0.000 2.468 415 C HA -0.114 4.345 4.460 -0.001 0.000 0.277 415 C C 2.509 177.543 174.990 0.074 0.000 1.400 415 C CA 0.252 59.279 59.018 0.015 0.000 1.770 415 C CB -1.067 26.734 27.740 0.102 0.000 1.905 415 C HN 0.670 nan 8.230 nan 0.000 0.519 416 F N 2.147 122.030 119.950 -0.111 0.000 2.138 416 F HA 0.142 4.669 4.527 -0.001 0.000 0.283 416 F C 1.898 177.797 175.800 0.164 0.000 1.100 416 F CA 1.773 59.805 58.000 0.053 0.000 1.189 416 F CB -0.539 38.262 39.000 -0.332 0.000 1.060 416 F HN 0.193 nan 8.300 nan 0.000 0.492 417 I N -0.255 120.494 120.570 0.299 0.000 3.241 417 I HA 0.051 4.220 4.170 -0.001 0.000 0.280 417 I C 1.747 177.843 176.117 -0.034 0.000 1.320 417 I CA 1.097 62.487 61.300 0.149 0.000 1.413 417 I CB -0.927 37.198 38.000 0.208 0.000 1.060 417 I HN 0.186 nan 8.210 nan 0.000 0.500 418 A N 1.564 124.335 122.820 -0.082 0.000 1.855 418 A HA -0.126 4.194 4.320 -0.001 0.000 0.213 418 A C 2.457 179.895 177.584 -0.243 0.000 1.195 418 A CA 1.818 53.769 52.037 -0.144 0.000 0.610 418 A CB -1.107 17.818 19.000 -0.125 0.000 0.837 418 A HN 0.511 nan 8.150 nan 0.000 0.444 419 T N -1.810 112.529 114.554 -0.359 0.000 2.995 419 T HA -0.052 4.298 4.350 -0.001 0.000 0.269 419 T C 1.681 175.827 174.700 -0.923 0.000 1.091 419 T CA 1.530 63.261 62.100 -0.613 0.000 1.128 419 T CB -0.354 68.125 68.868 -0.649 0.000 0.891 419 T HN 0.084 nan 8.240 nan 0.000 0.492 420 V N 1.494 120.890 119.914 -0.863 0.000 2.515 420 V HA -0.089 4.030 4.120 -0.001 0.000 0.250 420 V C 2.601 178.521 176.094 -0.290 0.000 1.058 420 V CA 2.493 64.444 62.300 -0.581 0.000 1.064 420 V CB -0.776 30.953 31.823 -0.157 0.000 0.675 420 V HN 0.666 nan 8.190 nan 0.000 0.461 421 T N 0.199 114.617 114.554 -0.227 0.000 2.942 421 T HA -0.091 4.259 4.350 -0.001 0.000 0.265 421 T C 1.725 176.329 174.700 -0.159 0.000 1.062 421 T CA 1.486 63.500 62.100 -0.143 0.000 1.139 421 T CB -0.157 68.647 68.868 -0.106 0.000 0.883 421 T HN 0.432 nan 8.240 nan 0.000 0.468 422 L N 1.618 122.707 121.223 -0.222 0.000 1.994 422 L HA -0.054 4.285 4.340 -0.001 0.000 0.208 422 L C 2.397 179.167 176.870 -0.167 0.000 1.071 422 L CA 1.516 56.240 54.840 -0.192 0.000 0.745 422 L CB -0.744 41.183 42.059 -0.220 0.000 0.892 422 L HN 0.023 nan 8.230 nan 0.000 0.431 423 V N 0.747 120.511 119.914 -0.250 0.000 2.317 423 V HA -0.371 3.749 4.120 -0.001 0.000 0.251 423 V C 2.422 178.481 176.094 -0.058 0.000 1.065 423 V CA 2.306 64.500 62.300 -0.176 0.000 1.049 423 V CB -1.203 30.467 31.823 -0.255 0.000 0.651 423 V HN 0.739 nan 8.190 nan 0.000 0.450 424 N N 0.399 119.068 118.700 -0.051 0.000 2.148 424 N HA -0.056 4.683 4.740 -0.001 0.000 0.186 424 N C 1.750 177.293 175.510 0.055 0.000 1.031 424 N CA 1.458 54.520 53.050 0.020 0.000 0.848 424 N CB -0.395 38.099 38.487 0.011 0.000 1.005 424 N HN 0.327 nan 8.380 nan 0.000 0.427 425 A N 0.026 122.851 122.820 0.009 0.000 2.019 425 A HA -0.121 4.199 4.320 -0.001 0.000 0.219 425 A C 2.204 179.842 177.584 0.090 0.000 1.164 425 A CA 1.567 53.621 52.037 0.028 0.000 0.644 425 A CB -1.080 17.904 19.000 -0.027 0.000 0.805 425 A HN 0.744 nan 8.150 nan 0.000 0.449 426 C N -3.187 116.143 119.300 0.051 0.000 2.884 426 C HA 0.601 5.061 4.460 -0.001 0.000 0.287 426 C C 2.031 177.043 174.990 0.037 0.000 1.310 426 C CA 0.293 59.339 59.018 0.046 0.000 1.725 426 C CB -0.914 26.839 27.740 0.023 0.000 2.060 426 C HN 0.359 nan 8.230 nan 0.000 0.618 427 S N -0.916 114.837 115.700 0.088 0.000 2.497 427 S HA 0.102 4.571 4.470 -0.001 0.000 0.221 427 S C 1.344 176.048 174.600 0.174 0.000 1.037 427 S CA 0.130 58.404 58.200 0.124 0.000 0.920 427 S CB -0.328 62.966 63.200 0.157 0.000 0.800 427 S HN 0.725 nan 8.310 nan 0.000 0.505 428 Y N 2.684 123.022 120.300 0.063 0.000 2.089 428 Y HA -0.161 4.388 4.550 -0.001 0.000 0.282 428 Y C 2.470 178.400 175.900 0.050 0.000 1.139 428 Y CA 2.454 60.598 58.100 0.073 0.000 1.123 428 Y CB -0.871 37.626 38.460 0.063 0.000 0.980 428 Y HN 0.225 nan 8.280 nan 0.000 0.493 429 T N 0.988 115.670 114.554 0.214 0.000 2.778 429 T HA -0.252 4.098 4.350 -0.001 0.000 0.269 429 T C 1.927 176.590 174.700 -0.061 0.000 1.050 429 T CA 1.742 63.898 62.100 0.094 0.000 1.137 429 T CB -0.573 68.362 68.868 0.111 0.000 0.860 429 T HN 0.358 nan 8.240 nan 0.000 0.468 430 L N -0.208 120.934 121.223 -0.135 0.000 2.313 430 L HA 0.153 4.492 4.340 -0.001 0.000 0.214 430 L C 2.599 179.141 176.870 -0.547 0.000 1.119 430 L CA 0.554 55.135 54.840 -0.432 0.000 0.809 430 L CB -0.309 41.431 42.059 -0.533 0.000 0.933 430 L HN 0.286 nan 8.230 nan 0.000 0.449 431 A N -0.765 121.996 122.820 -0.099 0.000 1.887 431 A HA -0.088 4.232 4.320 -0.001 0.000 0.212 431 A C 2.142 179.750 177.584 0.040 0.000 1.198 431 A CA 0.567 52.727 52.037 0.205 0.000 0.628 431 A CB -0.223 18.892 19.000 0.193 0.000 0.847 431 A HN 0.231 nan 8.150 nan 0.000 0.449 432 M N 1.176 120.685 119.600 -0.152 0.000 2.260 432 M HA -0.156 4.324 4.480 -0.001 0.000 0.261 432 M C 2.266 178.541 176.300 -0.042 0.000 1.066 432 M CA 1.919 57.137 55.300 -0.136 0.000 1.082 432 M CB -1.225 31.260 32.600 -0.192 0.000 1.388 432 M HN 0.652 nan 8.290 nan 0.000 0.419 433 S N -0.834 114.833 115.700 -0.055 0.000 2.522 433 S HA -0.024 4.446 4.470 -0.001 0.000 0.227 433 S C 0.806 175.418 174.600 0.021 0.000 0.986 433 S CA 0.623 58.800 58.200 -0.039 0.000 0.929 433 S CB -0.342 62.803 63.200 -0.091 0.000 0.769 433 S HN 0.441 nan 8.310 nan 0.000 0.529 434 T N 1.008 115.626 114.554 0.106 0.000 3.585 434 T HA 0.544 4.894 4.350 -0.001 0.000 0.252 434 T C -0.733 174.077 174.700 0.183 0.000 1.382 434 T CA -0.571 61.669 62.100 0.234 0.000 1.584 434 T CB -0.136 69.080 68.868 0.579 0.000 0.892 434 T HN 0.473 nan 8.240 nan 0.000 0.671 435 C N 1.404 120.757 119.300 0.087 0.000 3.311 435 C HA 0.699 5.159 4.460 -0.001 0.000 0.325 435 C C -0.906 174.098 174.990 0.024 0.000 1.352 435 C CA -1.055 57.990 59.018 0.047 0.000 1.308 435 C CB 1.178 28.938 27.740 0.032 0.000 1.619 435 C HN 0.646 nan 8.230 nan 0.000 0.469 436 R N 1.994 122.501 120.500 0.012 0.000 2.583 436 R HA 0.115 4.454 4.340 -0.001 0.000 0.274 436 R C 1.316 177.623 176.300 0.011 0.000 0.998 436 R CA 0.520 56.626 56.100 0.010 0.000 1.081 436 R CB 0.092 30.396 30.300 0.006 0.000 0.940 436 R HN 0.797 nan 8.270 nan 0.000 0.413 437 E N 1.451 121.659 120.200 0.013 0.000 2.072 437 E HA -0.157 4.193 4.350 -0.001 0.000 0.190 437 E C 1.611 178.218 176.600 0.012 0.000 0.982 437 E CA 1.296 57.704 56.400 0.013 0.000 0.803 437 E CB -0.050 29.658 29.700 0.013 0.000 0.755 437 E HN 0.361 nan 8.360 nan 0.000 0.453 438 V N 1.305 121.226 119.914 0.011 0.000 2.232 438 V HA -0.317 3.803 4.120 -0.001 0.000 0.251 438 V C 1.967 178.070 176.094 0.014 0.000 1.048 438 V CA 1.898 64.205 62.300 0.011 0.000 1.029 438 V CB -0.546 31.283 31.823 0.011 0.000 0.658 438 V HN 0.223 nan 8.190 nan 0.000 0.464 439 R N -0.604 119.907 120.500 0.019 0.000 2.647 439 R HA 0.257 4.596 4.340 -0.001 0.000 0.124 439 R C 0.438 176.761 176.300 0.039 0.000 1.294 439 R CA 0.294 56.410 56.100 0.027 0.000 1.060 439 R CB -0.135 30.183 30.300 0.029 0.000 1.282 439 R HN 0.709 nan 8.270 nan 0.000 0.430 440 D N -1.421 119.013 120.400 0.057 0.000 2.489 440 D HA 0.075 4.715 4.640 -0.001 0.000 0.232 440 D C 0.321 176.661 176.300 0.067 0.000 1.230 440 D CA -0.301 53.751 54.000 0.086 0.000 1.101 440 D CB -0.687 40.207 40.800 0.158 0.000 1.198 440 D HN 0.431 nan 8.370 nan 0.000 0.611 441 G N 0.839 109.712 108.800 0.122 0.000 2.819 441 G HA2 0.028 3.988 3.960 -0.001 0.000 0.272 441 G HA3 0.028 3.988 3.960 -0.001 0.000 0.272 441 G C 0.562 175.511 174.900 0.082 0.000 0.701 441 G CA -0.032 45.132 45.100 0.107 0.000 2.095 441 G HN 0.250 nan 8.290 nan 0.000 0.577 442 E N 0.893 121.124 120.200 0.051 0.000 3.798 442 E HA 0.029 4.378 4.350 -0.001 0.000 0.565 442 E C 1.469 178.090 176.600 0.035 0.000 0.242 442 E CA -0.091 56.334 56.400 0.041 0.000 3.433 442 E CB 0.069 29.787 29.700 0.029 0.000 2.362 442 E HN 0.354 nan 8.360 nan 0.000 0.333 443 E N 0.276 120.490 120.200 0.023 0.000 2.005 443 E HA -0.064 4.286 4.350 -0.001 0.000 0.191 443 E C -0.702 175.907 176.600 0.014 0.000 0.987 443 E CA 1.002 57.413 56.400 0.018 0.000 0.814 443 E CB -1.274 28.433 29.700 0.012 0.000 0.772 443 E HN 0.146 nan 8.360 nan 0.000 0.453 444 P HA -0.099 nan 4.420 nan 0.000 0.216 444 P C -2.027 175.276 177.300 0.005 0.000 1.153 444 P CA 1.342 64.438 63.100 -0.006 0.000 0.858 444 P CB -1.097 30.593 31.700 -0.017 0.000 0.789 445 P HA 0.040 nan 4.420 nan 0.000 0.263 445 P C 0.043 177.374 177.300 0.051 0.000 1.345 445 P CA 0.994 64.115 63.100 0.033 0.000 1.119 445 P CB 0.031 31.743 31.700 0.020 0.000 1.363 446 L N 2.828 124.077 121.223 0.044 0.000 3.647 446 L HA 0.186 4.526 4.340 -0.001 0.000 0.218 446 L C 1.634 178.529 176.870 0.042 0.000 1.339 446 L CA -0.411 54.458 54.840 0.048 0.000 1.749 446 L CB -0.563 41.515 42.059 0.033 0.000 1.942 446 L HN -0.055 nan 8.230 nan 0.000 0.740 447 L N 0.925 122.159 121.223 0.018 0.000 2.556 447 L HA -0.158 4.182 4.340 -0.001 0.000 0.230 447 L C 1.819 178.675 176.870 -0.023 0.000 1.163 447 L CA 1.246 56.089 54.840 0.005 0.000 0.819 447 L CB -0.313 41.742 42.059 -0.007 0.000 0.939 447 L HN 0.310 nan 8.230 nan 0.000 0.452 448 V N -1.085 118.816 119.914 -0.023 0.000 2.255 448 V HA -0.263 3.856 4.120 -0.001 0.000 0.243 448 V C 2.551 178.658 176.094 0.020 0.000 1.038 448 V CA 1.890 64.148 62.300 -0.071 0.000 1.008 448 V CB -0.864 30.961 31.823 0.004 0.000 0.645 448 V HN 0.475 nan 8.190 nan 0.000 0.449 449 R N 1.550 122.141 120.500 0.152 0.000 2.083 449 R HA -0.178 4.161 4.340 -0.001 0.000 0.237 449 R C 2.291 178.699 176.300 0.180 0.000 1.137 449 R CA 2.430 58.670 56.100 0.234 0.000 0.951 449 R CB -0.791 29.627 30.300 0.196 0.000 0.851 449 R HN 0.700 nan 8.270 nan 0.000 0.434 450 I N -1.409 119.227 120.570 0.109 0.000 2.614 450 I HA 0.099 4.269 4.170 -0.001 0.000 0.258 450 I C 1.837 177.995 176.117 0.067 0.000 1.189 450 I CA 1.754 63.107 61.300 0.089 0.000 1.462 450 I CB -0.366 37.675 38.000 0.068 0.000 1.092 450 I HN 0.214 nan 8.210 nan 0.000 0.442 451 G N 0.213 109.023 108.800 0.016 0.000 2.408 451 G HA2 -0.143 3.817 3.960 -0.001 0.000 0.213 451 G HA3 -0.143 3.817 3.960 -0.001 0.000 0.213 451 G C 1.203 176.094 174.900 -0.016 0.000 1.177 451 G CA 0.159 45.228 45.100 -0.052 0.000 0.802 451 G HN 0.460 nan 8.290 nan 0.000 0.533 452 W N 2.012 123.311 121.300 -0.003 0.000 2.425 452 W HA -0.001 4.658 4.660 -0.000 0.000 0.277 452 W C 2.703 179.213 176.519 -0.015 0.000 1.231 452 W CA 1.076 58.397 57.345 -0.039 0.000 1.248 452 W CB -0.772 28.655 29.460 -0.055 0.000 1.117 452 W HN 0.209 nan 8.180 nan 0.000 0.568 453 S N 1.194 117.028 115.700 0.224 0.000 2.369 453 S HA -0.245 4.225 4.470 -0.001 0.000 0.225 453 S C 1.764 176.437 174.600 0.122 0.000 1.043 453 S CA 1.954 60.240 58.200 0.144 0.000 1.074 453 S CB -0.829 62.446 63.200 0.125 0.000 0.962 453 S HN 0.199 nan 8.310 nan 0.000 0.433 454 I N 0.876 121.511 120.570 0.109 0.000 2.264 454 I HA -0.187 3.983 4.170 -0.001 0.000 0.248 454 I C 2.325 178.496 176.117 0.090 0.000 1.111 454 I CA 0.841 62.197 61.300 0.092 0.000 1.382 454 I CB -0.375 37.666 38.000 0.068 0.000 1.060 454 I HN 0.192 nan 8.210 nan 0.000 0.418 455 L N 0.230 121.514 121.223 0.102 0.000 2.044 455 L HA -0.091 4.248 4.340 -0.001 0.000 0.205 455 L C 2.423 179.336 176.870 0.072 0.000 1.075 455 L CA 1.581 56.478 54.840 0.094 0.000 0.747 455 L CB -0.358 41.791 42.059 0.149 0.000 0.903 455 L HN -0.051 nan 8.230 nan 0.000 0.435 456 V N 0.087 120.049 119.914 0.081 0.000 2.255 456 V HA -0.259 3.861 4.120 -0.001 0.000 0.247 456 V C 2.595 178.727 176.094 0.063 0.000 1.051 456 V CA 1.986 64.313 62.300 0.046 0.000 1.018 456 V CB -1.651 30.194 31.823 0.036 0.000 0.641 456 V HN 0.622 nan 8.190 nan 0.000 0.445 457 G N 0.583 109.432 108.800 0.082 0.000 2.442 457 G HA2 -0.257 3.703 3.960 -0.001 0.000 0.219 457 G HA3 -0.257 3.703 3.960 -0.001 0.000 0.219 457 G C 1.493 176.455 174.900 0.103 0.000 1.141 457 G CA 1.292 46.455 45.100 0.104 0.000 0.763 457 G HN 0.689 nan 8.290 nan 0.000 0.554 458 I N -1.351 119.275 120.570 0.092 0.000 2.439 458 I HA 0.038 4.208 4.170 -0.001 0.000 0.251 458 I C 2.460 178.631 176.117 0.089 0.000 1.139 458 I CA 0.793 62.147 61.300 0.090 0.000 1.438 458 I CB -0.374 37.677 38.000 0.086 0.000 1.085 458 I HN 0.110 nan 8.210 nan 0.000 0.427 459 I N 2.401 123.022 120.570 0.085 0.000 2.315 459 I HA -0.080 4.090 4.170 -0.001 0.000 0.248 459 I C 2.851 179.033 176.117 0.108 0.000 1.117 459 I CA 1.286 62.652 61.300 0.109 0.000 1.404 459 I CB -1.165 36.912 38.000 0.128 0.000 1.071 459 I HN 0.314 nan 8.210 nan 0.000 0.419 460 G N 2.845 111.704 108.800 0.099 0.000 2.529 460 G HA2 -0.279 3.680 3.960 -0.001 0.000 0.219 460 G HA3 -0.279 3.680 3.960 -0.001 0.000 0.219 460 G C 1.665 176.621 174.900 0.093 0.000 1.177 460 G CA 1.604 46.763 45.100 0.098 0.000 0.773 460 G HN 0.594 nan 8.290 nan 0.000 0.573 461 I N -1.086 119.540 120.570 0.095 0.000 2.353 461 I HA -0.001 4.168 4.170 -0.001 0.000 0.248 461 I C 2.516 178.675 176.117 0.070 0.000 1.119 461 I CA 0.334 61.684 61.300 0.083 0.000 1.417 461 I CB -0.759 37.290 38.000 0.081 0.000 1.078 461 I HN 0.007 nan 8.210 nan 0.000 0.421 462 V N 2.076 122.036 119.914 0.075 0.000 2.317 462 V HA -0.304 3.816 4.120 -0.001 0.000 0.251 462 V C 2.642 178.765 176.094 0.048 0.000 1.065 462 V CA 2.362 64.703 62.300 0.067 0.000 1.049 462 V CB -0.578 31.294 31.823 0.082 0.000 0.651 462 V HN 0.459 nan 8.190 nan 0.000 0.450 463 L N -1.277 119.975 121.223 0.048 0.000 2.005 463 L HA -0.150 4.189 4.340 -0.001 0.000 0.207 463 L C 2.373 179.257 176.870 0.024 0.000 1.072 463 L CA 1.412 56.266 54.840 0.023 0.000 0.744 463 L CB -0.628 41.443 42.059 0.020 0.000 0.895 463 L HN 0.256 nan 8.230 nan 0.000 0.433 464 L N 0.067 121.316 121.223 0.043 0.000 2.127 464 L HA -0.214 4.125 4.340 -0.001 0.000 0.211 464 L C 2.858 179.753 176.870 0.042 0.000 1.089 464 L CA 1.130 56.000 54.840 0.050 0.000 0.757 464 L CB -0.743 41.357 42.059 0.068 0.000 0.899 464 L HN 0.256 nan 8.230 nan 0.000 0.434 465 A N -0.086 122.757 122.820 0.038 0.000 1.933 465 A HA -0.155 4.165 4.320 -0.001 0.000 0.218 465 A C 2.208 179.805 177.584 0.023 0.000 1.175 465 A CA 1.569 53.626 52.037 0.032 0.000 0.628 465 A CB -0.582 18.440 19.000 0.037 0.000 0.814 465 A HN 0.392 nan 8.150 nan 0.000 0.444 466 L N -1.646 119.586 121.223 0.015 0.000 2.270 466 L HA 0.157 4.497 4.340 -0.001 0.000 0.210 466 L C 2.063 178.932 176.870 -0.003 0.000 1.104 466 L CA 0.775 55.614 54.840 -0.001 0.000 0.804 466 L CB -0.344 41.704 42.059 -0.017 0.000 0.937 466 L HN 0.555 nan 8.230 nan 0.000 0.450 467 G N -0.394 108.411 108.800 0.009 0.000 2.196 467 G HA2 -0.280 3.679 3.960 -0.001 0.000 0.268 467 G HA3 -0.280 3.679 3.960 -0.001 0.000 0.268 467 G C 0.714 175.622 174.900 0.014 0.000 0.975 467 G CA 0.203 45.317 45.100 0.024 0.000 0.648 467 G HN 0.559 nan 8.290 nan 0.000 0.538 468 G N -1.027 107.761 108.800 -0.021 0.000 2.553 468 G HA2 0.541 4.500 3.960 -0.001 0.000 0.278 468 G HA3 0.541 4.500 3.960 -0.001 0.000 0.278 468 G C 1.133 176.007 174.900 -0.043 0.000 1.349 468 G CA -0.106 44.968 45.100 -0.043 0.000 1.037 468 G HN 0.470 nan 8.290 nan 0.000 0.508 469 L N -1.032 120.143 121.223 -0.080 0.000 2.307 469 L HA 0.156 4.496 4.340 -0.001 0.000 0.211 469 L C 2.863 179.586 176.870 -0.246 0.000 1.099 469 L CA 0.437 55.212 54.840 -0.109 0.000 0.816 469 L CB -0.134 41.871 42.059 -0.090 0.000 0.952 469 L HN 0.505 nan 8.230 nan 0.000 0.455 470 K N 0.380 120.603 120.400 -0.295 0.000 2.020 470 K HA -0.196 4.124 4.320 -0.001 0.000 0.212 470 K C -0.422 176.024 176.600 -0.257 0.000 1.050 470 K CA 1.820 57.888 56.287 -0.366 0.000 0.929 470 K CB -1.036 31.231 32.500 -0.387 0.000 0.714 470 K HN 0.183 nan 8.250 nan 0.000 0.443 471 P HA -0.223 nan 4.420 nan 0.000 0.216 471 P C 1.476 178.681 177.300 -0.159 0.000 1.154 471 P CA 1.403 64.418 63.100 -0.143 0.000 0.865 471 P CB -0.236 31.408 31.700 -0.093 0.000 0.789 472 I N -2.766 117.710 120.570 -0.157 0.000 2.584 472 I HA -0.130 4.040 4.170 -0.001 0.000 0.255 472 I C 2.049 178.017 176.117 -0.248 0.000 1.145 472 I CA 1.406 62.614 61.300 -0.153 0.000 1.462 472 I CB -0.769 37.191 38.000 -0.067 0.000 1.102 472 I HN -0.037 nan 8.210 nan 0.000 0.433 473 Q N 1.221 120.793 119.800 -0.380 0.000 2.016 473 Q HA -0.199 4.140 4.340 -0.001 0.000 0.200 473 Q C 2.424 178.285 176.000 -0.231 0.000 0.978 473 Q CA 2.966 58.400 55.803 -0.614 0.000 0.833 473 Q CB -0.128 28.130 28.738 -0.801 0.000 0.895 473 Q HN 0.714 nan 8.270 nan 0.000 0.427 474 T N -1.097 113.385 114.554 -0.119 0.000 2.833 474 T HA -0.093 4.257 4.350 -0.001 0.000 0.269 474 T C 1.798 176.401 174.700 -0.162 0.000 1.054 474 T CA 1.214 63.288 62.100 -0.043 0.000 1.135 474 T CB -0.234 68.625 68.868 -0.016 0.000 0.869 474 T HN 0.309 nan 8.240 nan 0.000 0.466 475 A N 1.981 124.664 122.820 -0.229 0.000 1.883 475 A HA 0.042 4.361 4.320 -0.001 0.000 0.217 475 A C 2.443 179.870 177.584 -0.261 0.000 1.186 475 A CA 1.732 53.578 52.037 -0.318 0.000 0.624 475 A CB -0.689 18.141 19.000 -0.283 0.000 0.822 475 A HN 0.556 nan 8.150 nan 0.000 0.444 476 I N -0.067 120.352 120.570 -0.252 0.000 2.286 476 I HA -0.175 3.994 4.170 -0.001 0.000 0.245 476 I C 2.444 178.456 176.117 -0.174 0.000 1.104 476 I CA 1.025 62.156 61.300 -0.281 0.000 1.397 476 I CB -1.347 36.380 38.000 -0.455 0.000 1.072 476 I HN 0.317 nan 8.210 nan 0.000 0.417 477 I N 1.461 121.944 120.570 -0.146 0.000 2.099 477 I HA -0.304 3.865 4.170 -0.001 0.000 0.239 477 I C 2.831 178.895 176.117 -0.088 0.000 1.066 477 I CA 1.764 62.953 61.300 -0.186 0.000 1.324 477 I CB -0.728 37.133 38.000 -0.232 0.000 1.037 477 I HN 0.122 nan 8.210 nan 0.000 0.401 478 A N 1.093 123.862 122.820 -0.085 0.000 1.940 478 A HA -0.151 4.168 4.320 -0.001 0.000 0.219 478 A C 2.403 179.995 177.584 0.014 0.000 1.176 478 A CA 2.069 54.085 52.037 -0.035 0.000 0.631 478 A CB -1.571 17.372 19.000 -0.094 0.000 0.814 478 A HN 0.521 nan 8.150 nan 0.000 0.446 479 G N -0.489 108.297 108.800 -0.023 0.000 2.587 479 G HA2 -0.031 3.929 3.960 -0.001 0.000 0.217 479 G HA3 -0.031 3.929 3.960 -0.001 0.000 0.217 479 G C 1.591 176.523 174.900 0.053 0.000 1.240 479 G CA 1.276 46.390 45.100 0.024 0.000 0.794 479 G HN 0.796 nan 8.290 nan 0.000 0.580 480 G N -0.502 108.328 108.800 0.051 0.000 2.470 480 G HA2 -0.237 3.722 3.960 -0.001 0.000 0.220 480 G HA3 -0.237 3.722 3.960 -0.001 0.000 0.220 480 G C 1.883 176.923 174.900 0.233 0.000 1.121 480 G CA 1.359 46.546 45.100 0.145 0.000 0.766 480 G HN 0.565 nan 8.290 nan 0.000 0.553 481 C N 1.194 120.642 119.300 0.247 0.000 2.359 481 C HA -0.088 4.372 4.460 -0.001 0.000 0.277 481 C C 0.986 175.992 174.990 0.027 0.000 1.192 481 C CA 1.940 61.022 59.018 0.106 0.000 1.759 481 C CB -0.959 26.825 27.740 0.073 0.000 2.038 481 C HN 0.372 nan 8.230 nan 0.000 0.448 482 P HA -0.149 nan 4.420 nan 0.000 0.212 482 P C 1.527 178.916 177.300 0.147 0.000 1.174 482 P CA 1.874 64.982 63.100 0.013 0.000 0.934 482 P CB -0.339 31.281 31.700 -0.133 0.000 0.791 483 L N -2.718 118.567 121.223 0.105 0.000 2.450 483 L HA -0.130 4.210 4.340 -0.001 0.000 0.224 483 L C 2.313 179.251 176.870 0.113 0.000 1.149 483 L CA 0.604 55.516 54.840 0.119 0.000 0.816 483 L CB -0.934 41.165 42.059 0.067 0.000 0.932 483 L HN -0.064 nan 8.230 nan 0.000 0.449 484 F N 0.920 120.769 119.950 -0.168 0.000 2.069 484 F HA -0.277 4.249 4.527 -0.001 0.000 0.298 484 F C 2.040 177.706 175.800 -0.224 0.000 1.113 484 F CA 1.512 59.291 58.000 -0.368 0.000 1.214 484 F CB -0.546 37.995 39.000 -0.765 0.000 0.978 484 F HN -0.084 nan 8.300 nan 0.000 0.474 485 F N 0.571 120.683 119.950 0.270 0.000 2.026 485 F HA -0.219 4.307 4.527 -0.001 0.000 0.296 485 F C 2.476 178.301 175.800 0.043 0.000 1.133 485 F CA 1.827 59.893 58.000 0.111 0.000 1.188 485 F CB -1.426 37.633 39.000 0.097 0.000 0.968 485 F HN -0.189 nan 8.300 nan 0.000 0.476 486 V N 0.604 120.667 119.914 0.248 0.000 2.313 486 V HA -0.390 3.730 4.120 -0.001 0.000 0.253 486 V C 2.037 178.241 176.094 0.183 0.000 1.070 486 V CA 2.297 64.707 62.300 0.184 0.000 1.057 486 V CB -0.862 31.083 31.823 0.203 0.000 0.653 486 V HN 0.355 nan 8.190 nan 0.000 0.450 487 N N 0.306 119.106 118.700 0.167 0.000 2.080 487 N HA -0.117 4.623 4.740 -0.001 0.000 0.189 487 N C 1.825 177.400 175.510 0.109 0.000 1.036 487 N CA 1.940 55.098 53.050 0.179 0.000 0.846 487 N CB -0.597 38.041 38.487 0.252 0.000 1.015 487 N HN 0.729 nan 8.380 nan 0.000 0.423 488 I N -1.332 119.238 120.570 -0.001 0.000 2.264 488 I HA -0.261 3.909 4.170 -0.001 0.000 0.248 488 I C 1.966 178.103 176.117 0.033 0.000 1.111 488 I CA 1.314 62.561 61.300 -0.088 0.000 1.382 488 I CB -0.253 37.612 38.000 -0.225 0.000 1.060 488 I HN 0.014 nan 8.210 nan 0.000 0.418 489 M N 0.984 120.647 119.600 0.105 0.000 2.126 489 M HA -0.181 4.298 4.480 -0.001 0.000 0.259 489 M C 2.378 178.774 176.300 0.160 0.000 1.073 489 M CA 2.292 57.681 55.300 0.147 0.000 1.103 489 M CB -0.572 32.142 32.600 0.190 0.000 1.284 489 M HN 0.168 nan 8.290 nan 0.000 0.420 490 V N -0.053 119.967 119.914 0.178 0.000 2.428 490 V HA -0.341 3.779 4.120 -0.001 0.000 0.255 490 V C 2.461 178.691 176.094 0.225 0.000 1.080 490 V CA 2.402 64.826 62.300 0.205 0.000 1.083 490 V CB -1.207 30.762 31.823 0.243 0.000 0.665 490 V HN 0.680 nan 8.190 nan 0.000 0.461 491 T N -1.456 113.218 114.554 0.200 0.000 2.937 491 T HA 0.017 4.366 4.350 -0.001 0.000 0.260 491 T C 1.788 176.664 174.700 0.293 0.000 1.051 491 T CA 0.922 63.178 62.100 0.260 0.000 1.141 491 T CB -0.089 68.919 68.868 0.234 0.000 0.879 491 T HN 0.364 nan 8.240 nan 0.000 0.459 492 L N 1.054 122.376 121.223 0.165 0.000 1.976 492 L HA -0.065 4.274 4.340 -0.001 0.000 0.209 492 L C 2.984 179.941 176.870 0.146 0.000 1.071 492 L CA 1.653 56.564 54.840 0.119 0.000 0.746 492 L CB -0.969 41.129 42.059 0.066 0.000 0.890 492 L HN 0.331 nan 8.230 nan 0.000 0.432 493 S N -0.120 115.684 115.700 0.173 0.000 2.399 493 S HA -0.328 4.142 4.470 -0.001 0.000 0.235 493 S C 1.983 176.749 174.600 0.278 0.000 1.063 493 S CA 2.281 60.603 58.200 0.204 0.000 1.070 493 S CB -0.521 62.815 63.200 0.227 0.000 0.904 493 S HN 0.441 nan 8.310 nan 0.000 0.456 494 F N 1.312 121.355 119.950 0.155 0.000 2.146 494 F HA 0.068 4.594 4.527 -0.001 0.000 0.298 494 F C 1.784 177.523 175.800 -0.101 0.000 1.096 494 F CA 1.442 59.424 58.000 -0.030 0.000 1.275 494 F CB -0.445 38.345 39.000 -0.350 0.000 1.008 494 F HN 0.256 nan 8.300 nan 0.000 0.480 495 I N 1.641 122.087 120.570 -0.207 0.000 2.113 495 I HA -0.333 3.837 4.170 -0.001 0.000 0.238 495 I C 2.614 178.567 176.117 -0.273 0.000 1.070 495 I CA 2.065 63.179 61.300 -0.310 0.000 1.332 495 I CB -0.762 37.258 38.000 0.033 0.000 1.044 495 I HN 0.172 nan 8.210 nan 0.000 0.402 496 K N 0.586 120.925 120.400 -0.102 0.000 2.209 496 K HA -0.229 4.091 4.320 -0.001 0.000 0.204 496 K C 1.607 178.179 176.600 -0.047 0.000 1.048 496 K CA 1.761 58.021 56.287 -0.045 0.000 0.940 496 K CB -0.320 32.182 32.500 0.003 0.000 0.729 496 K HN 0.279 nan 8.250 nan 0.000 0.451 497 D N 1.765 122.129 120.400 -0.061 0.000 2.098 497 D HA -0.141 4.499 4.640 -0.001 0.000 0.207 497 D C 2.019 178.260 176.300 -0.099 0.000 0.979 497 D CA 2.292 56.299 54.000 0.011 0.000 0.878 497 D CB -0.555 40.358 40.800 0.188 0.000 1.028 497 D HN 0.182 nan 8.370 nan 0.000 0.452 498 A N 1.355 123.904 122.820 -0.451 0.000 1.969 498 A HA -0.345 3.975 4.320 -0.001 0.000 0.223 498 A C 2.111 179.400 177.584 -0.491 0.000 1.218 498 A CA 2.890 54.416 52.037 -0.853 0.000 0.667 498 A CB -1.031 16.670 19.000 -2.165 0.000 0.826 498 A HN 0.451 nan 8.150 nan 0.000 0.472 499 K N -0.329 119.916 120.400 -0.258 0.000 1.990 499 K HA -0.329 3.991 4.320 -0.001 0.000 0.225 499 K C 2.189 178.822 176.600 0.055 0.000 1.053 499 K CA 2.589 58.882 56.287 0.010 0.000 0.982 499 K CB -0.374 32.144 32.500 0.029 0.000 0.734 499 K HN 0.754 nan 8.250 nan 0.000 0.448 500 Q N -0.282 119.549 119.800 0.051 0.000 2.331 500 Q HA 0.021 4.361 4.340 -0.001 0.000 0.203 500 Q C 1.199 177.266 176.000 0.111 0.000 0.944 500 Q CA 1.119 56.970 55.803 0.079 0.000 0.892 500 Q CB -0.190 28.585 28.738 0.062 0.000 0.983 500 Q HN 0.177 nan 8.270 nan 0.000 0.482 501 N N -0.464 118.323 118.700 0.144 0.000 2.313 501 N HA 0.084 4.824 4.740 -0.001 0.000 0.207 501 N C -1.293 174.439 175.510 0.370 0.000 1.141 501 N CA 0.060 53.243 53.050 0.221 0.000 0.830 501 N CB 0.204 38.847 38.487 0.260 0.000 1.008 501 N HN 0.210 nan 8.380 nan 0.000 0.481 502 W N 0.060 121.327 121.300 -0.055 0.000 3.686 502 W HA 0.449 5.109 4.660 -0.001 0.000 0.353 502 W C 0.307 176.815 176.519 -0.020 0.000 1.210 502 W CA -0.394 56.910 57.345 -0.067 0.000 0.925 502 W CB 0.367 29.700 29.460 -0.211 0.000 1.801 502 W HN -0.228 nan 8.180 nan 0.000 0.624 503 K N 0.469 121.027 120.400 0.263 0.000 3.269 503 K HA -0.111 4.209 4.320 -0.001 0.000 0.269 503 K C -0.801 175.833 176.600 0.057 0.000 1.234 503 K CA 0.298 56.679 56.287 0.157 0.000 0.802 503 K CB -2.534 30.053 32.500 0.145 0.000 1.416 503 K HN 0.458 nan 8.250 nan 0.000 0.525 504 D N 0.000 120.395 120.400 -0.009 0.000 6.856 504 D HA 0.000 4.640 4.640 -0.001 0.000 0.175 504 D CA 0.000 53.970 54.000 -0.051 0.000 0.868 504 D CB 0.000 40.736 40.800 -0.107 0.000 0.688 504 D HN 0.000 nan 8.370 nan 0.000 0.683