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 1dgs_1_A DATA FIRST_RESID 1 DATA SEQUENCE MTREEARRRI NELRDLIRYH NYRYYVLADP EISDAEYDRL LRELKELEER DATA SEQUENCE FPEFKSPDSP TEQVGARPLE PTFRPVRHPT RMYSLDNAFT YEEVLAFEER DATA SEQUENCE LEREAEAPSL YTVEHKVDGL SVLYYEEGVW STGSGDGEVG EEVTQNLLTI DATA SEQUENCE PTIPRRLKGV PDRLEVRGEV YMPIEAFLRL NEELEERGEK VFKNPRNAAA DATA SEQUENCE GSLRQKDPRV TAKRGLRATF YALGLGLGLE ESGLKSQYEL LLWLKEKGFP DATA SEQUENCE VEHCYEKALG AEGVEEVYRR GLAQRHALPF EADGVVLKLD DLTLWGELGY DATA SEQUENCE TARAPRFALA YKFPAEEKET RLLDVVFQVG RTGRVTPVGV LEPVFIEGSE DATA SEQUENCE VSRVTLHNES YIEELDIRIG DWVLVHKAGG VIPEVLRVLK ERRTGKERPI DATA SEQUENCE RWPEACPECG HRLVKEGKVH RCPNPLCPAK RFEAIRHYAS RKAMDIEGLG DATA SEQUENCE EKLIERLLEK GLVRDVADLY HLRKEDLLGL ERMGEKSAQN LLRQIEESKH DATA SEQUENCE RGLERLLYAL GLPGVGEVLA RNLARRFGTM DRLLEASLEE LIEVEEVGEL DATA SEQUENCE TARAILETLK DPAFRDLVRR LKEAGVSMES K 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 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.393 176.300 0.155 0.000 1.140 1 M CA 0.000 55.382 55.300 0.137 0.000 0.988 1 M CB 0.000 32.656 32.600 0.094 0.000 1.302 2 T N 0.642 115.245 114.554 0.081 0.000 2.903 2 T HA 0.189 4.541 4.350 0.003 0.000 0.314 2 T C 1.136 175.861 174.700 0.043 0.000 1.078 2 T CA 0.490 62.638 62.100 0.081 0.000 1.114 2 T CB 0.885 69.784 68.868 0.051 0.000 0.987 2 T HN 0.875 nan 8.240 nan 0.000 0.548 3 R N 1.407 121.968 120.500 0.102 0.000 2.103 3 R HA -0.169 4.172 4.340 0.003 0.000 0.242 3 R C 2.094 178.445 176.300 0.084 0.000 1.142 3 R CA 2.327 58.489 56.100 0.104 0.000 0.960 3 R CB -0.255 30.140 30.300 0.157 0.000 0.858 3 R HN 0.771 nan 8.270 nan 0.000 0.439 4 E N 0.347 120.579 120.200 0.053 0.000 2.047 4 E HA -0.196 4.156 4.350 0.003 0.000 0.191 4 E C 1.757 178.316 176.600 -0.068 0.000 0.987 4 E CA 1.566 57.975 56.400 0.014 0.000 0.799 4 E CB -0.064 29.648 29.700 0.019 0.000 0.752 4 E HN 0.376 nan 8.360 nan 0.000 0.449 5 E N -0.305 119.856 120.200 -0.066 0.000 2.085 5 E HA -0.261 4.091 4.350 0.003 0.000 0.194 5 E C 1.880 178.386 176.600 -0.157 0.000 0.994 5 E CA 1.181 57.529 56.400 -0.087 0.000 0.801 5 E CB -0.191 29.480 29.700 -0.049 0.000 0.743 5 E HN 0.294 nan 8.360 nan 0.000 0.453 6 A N 1.475 124.139 122.820 -0.260 0.000 1.933 6 A HA -0.200 4.122 4.320 0.003 0.000 0.218 6 A C 2.199 179.581 177.584 -0.337 0.000 1.175 6 A CA 1.539 53.342 52.037 -0.390 0.000 0.628 6 A CB -0.566 17.774 19.000 -1.100 0.000 0.814 6 A HN 0.264 nan 8.150 nan 0.000 0.444 7 R N -0.388 119.835 120.500 -0.462 0.000 2.070 7 R HA -0.126 4.215 4.340 0.003 0.000 0.233 7 R C 2.423 178.459 176.300 -0.439 0.000 1.137 7 R CA 1.558 57.133 56.100 -0.874 0.000 0.945 7 R CB -0.297 29.486 30.300 -0.862 0.000 0.845 7 R HN 0.516 nan 8.270 nan 0.000 0.430 8 R N -0.167 120.174 120.500 -0.266 0.000 2.096 8 R HA -0.188 4.154 4.340 0.003 0.000 0.240 8 R C 2.489 178.711 176.300 -0.130 0.000 1.139 8 R CA 1.858 57.860 56.100 -0.162 0.000 0.952 8 R CB -0.414 29.824 30.300 -0.103 0.000 0.854 8 R HN 0.109 nan 8.270 nan 0.000 0.436 9 R N 1.281 121.709 120.500 -0.120 0.000 2.081 9 R HA -0.037 4.305 4.340 0.003 0.000 0.235 9 R C 2.058 178.312 176.300 -0.076 0.000 1.131 9 R CA 1.368 57.424 56.100 -0.074 0.000 0.960 9 R CB -0.618 29.649 30.300 -0.054 0.000 0.856 9 R HN 0.224 nan 8.270 nan 0.000 0.436 10 I N 0.826 121.326 120.570 -0.117 0.000 2.335 10 I HA -0.321 3.851 4.170 0.003 0.000 0.251 10 I C 1.216 177.272 176.117 -0.101 0.000 1.129 10 I CA 1.208 62.450 61.300 -0.096 0.000 1.402 10 I CB -0.276 37.651 38.000 -0.121 0.000 1.069 10 I HN 0.296 nan 8.210 nan 0.000 0.424 11 N N 0.591 119.212 118.700 -0.132 0.000 2.173 11 N HA -0.131 4.611 4.740 0.003 0.000 0.184 11 N C 1.664 177.130 175.510 -0.073 0.000 1.025 11 N CA 1.143 54.124 53.050 -0.115 0.000 0.852 11 N CB -0.259 38.151 38.487 -0.129 0.000 0.998 11 N HN 0.392 nan 8.380 nan 0.000 0.427 12 E N 0.866 121.034 120.200 -0.053 0.000 2.077 12 E HA -0.100 4.252 4.350 0.003 0.000 0.193 12 E C 2.058 178.666 176.600 0.013 0.000 0.989 12 E CA 0.663 57.056 56.400 -0.013 0.000 0.800 12 E CB -0.153 29.544 29.700 -0.004 0.000 0.746 12 E HN 0.252 nan 8.360 nan 0.000 0.452 13 L N 0.512 121.737 121.223 0.003 0.000 2.017 13 L HA -0.187 4.155 4.340 0.003 0.000 0.208 13 L C 2.620 179.505 176.870 0.024 0.000 1.073 13 L CA 1.246 56.100 54.840 0.022 0.000 0.745 13 L CB -0.295 41.767 42.059 0.006 0.000 0.894 13 L HN 0.042 nan 8.230 nan 0.000 0.432 14 R N -0.386 120.107 120.500 -0.012 0.000 2.159 14 R HA -0.205 4.137 4.340 0.003 0.000 0.237 14 R C 1.824 178.108 176.300 -0.027 0.000 1.131 14 R CA 1.654 57.737 56.100 -0.028 0.000 0.982 14 R CB -0.274 29.985 30.300 -0.067 0.000 0.868 14 R HN 0.379 nan 8.270 nan 0.000 0.453 15 D N 0.029 120.416 120.400 -0.022 0.000 2.107 15 D HA -0.099 4.543 4.640 0.003 0.000 0.204 15 D C 1.594 177.945 176.300 0.085 0.000 0.978 15 D CA 0.860 54.851 54.000 -0.016 0.000 0.852 15 D CB 0.058 40.848 40.800 -0.017 0.000 1.008 15 D HN -0.091 nan 8.370 nan 0.000 0.458 16 L N 0.719 122.026 121.223 0.140 0.000 2.081 16 L HA -0.123 4.219 4.340 0.003 0.000 0.212 16 L C 2.399 179.465 176.870 0.325 0.000 1.080 16 L CA 1.256 56.244 54.840 0.246 0.000 0.754 16 L CB -0.750 41.484 42.059 0.293 0.000 0.893 16 L HN 0.281 nan 8.230 nan 0.000 0.433 17 I N -1.523 119.210 120.570 0.272 0.000 2.439 17 I HA -0.210 3.962 4.170 0.003 0.000 0.251 17 I C 2.537 178.842 176.117 0.314 0.000 1.139 17 I CA 0.736 62.254 61.300 0.362 0.000 1.438 17 I CB -0.236 37.870 38.000 0.177 0.000 1.085 17 I HN 0.218 nan 8.210 nan 0.000 0.427 18 R N -0.475 120.131 120.500 0.176 0.000 2.093 18 R HA -0.135 4.207 4.340 0.003 0.000 0.224 18 R C 2.347 178.774 176.300 0.211 0.000 1.101 18 R CA 0.987 57.164 56.100 0.127 0.000 0.979 18 R CB -0.399 29.894 30.300 -0.011 0.000 0.877 18 R HN 0.282 nan 8.270 nan 0.000 0.441 19 Y N 1.575 121.883 120.300 0.013 0.000 2.114 19 Y HA -0.230 4.322 4.550 0.003 0.000 0.284 19 Y C 1.782 177.675 175.900 -0.012 0.000 1.143 19 Y CA 1.637 59.719 58.100 -0.030 0.000 1.135 19 Y CB -0.790 37.531 38.460 -0.232 0.000 0.980 19 Y HN 0.142 nan 8.280 nan 0.000 0.499 20 H N -0.989 118.136 119.070 0.092 0.000 2.495 20 H HA -0.076 4.482 4.556 0.003 0.000 0.287 20 H C 2.171 177.459 175.328 -0.067 0.000 1.033 20 H CA 0.943 56.918 56.048 -0.121 0.000 1.307 20 H CB -0.068 29.605 29.762 -0.148 0.000 1.401 20 H HN 0.322 nan 8.280 nan 0.000 0.555 21 N N 0.088 118.887 118.700 0.166 0.000 2.331 21 N HA -0.173 4.569 4.740 0.003 0.000 0.180 21 N C 1.549 177.269 175.510 0.350 0.000 1.019 21 N CA 0.783 53.973 53.050 0.233 0.000 0.881 21 N CB 0.061 38.679 38.487 0.218 0.000 0.972 21 N HN 0.412 nan 8.380 nan 0.000 0.435 22 Y N 1.401 121.800 120.300 0.166 0.000 2.231 22 Y HA 0.165 4.717 4.550 0.003 0.000 0.294 22 Y C 2.274 178.247 175.900 0.122 0.000 1.120 22 Y CA 1.040 59.237 58.100 0.162 0.000 1.141 22 Y CB -0.405 38.159 38.460 0.174 0.000 1.022 22 Y HN -0.160 nan 8.280 nan 0.000 0.523 23 R N -0.568 119.847 120.500 -0.142 0.000 2.159 23 R HA -0.209 4.133 4.340 0.003 0.000 0.237 23 R C 1.592 177.772 176.300 -0.199 0.000 1.131 23 R CA 1.691 57.615 56.100 -0.294 0.000 0.982 23 R CB -0.749 29.396 30.300 -0.259 0.000 0.868 23 R HN 0.498 nan 8.270 nan 0.000 0.453 24 Y N -0.687 119.477 120.300 -0.226 0.000 2.304 24 Y HA -0.135 4.417 4.550 0.003 0.000 0.265 24 Y C 1.729 177.443 175.900 -0.309 0.000 1.074 24 Y CA 0.939 58.837 58.100 -0.335 0.000 1.102 24 Y CB -0.546 37.608 38.460 -0.510 0.000 1.037 24 Y HN -0.130 nan 8.280 nan 0.000 0.484 25 Y N -0.302 120.158 120.300 0.266 0.000 2.569 25 Y HA -0.136 4.417 4.550 0.004 0.000 0.293 25 Y C 1.775 177.708 175.900 0.054 0.000 1.144 25 Y CA 1.009 59.209 58.100 0.166 0.000 1.321 25 Y CB -0.621 37.945 38.460 0.177 0.000 0.982 25 Y HN 0.026 nan 8.280 nan 0.000 0.558 26 V N -1.612 118.374 119.914 0.121 0.000 2.870 26 V HA -0.065 4.057 4.120 0.003 0.000 0.232 26 V C 1.978 178.025 176.094 -0.079 0.000 1.161 26 V CA 0.335 62.680 62.300 0.075 0.000 1.204 26 V CB -0.629 31.335 31.823 0.235 0.000 1.003 26 V HN 0.162 nan 8.190 nan 0.000 0.499 27 L N 0.438 121.488 121.223 -0.290 0.000 2.044 27 L HA 0.136 4.478 4.340 0.003 0.000 0.205 27 L C 1.722 178.465 176.870 -0.212 0.000 1.075 27 L CA 1.442 56.111 54.840 -0.286 0.000 0.747 27 L CB -0.412 41.376 42.059 -0.452 0.000 0.903 27 L HN 0.558 nan 8.230 nan 0.000 0.435 28 A N -0.820 121.840 122.820 -0.266 0.000 3.300 28 A HA -0.166 4.156 4.320 0.003 0.000 0.234 28 A C 0.068 177.476 177.584 -0.293 0.000 1.310 28 A CA 0.713 52.560 52.037 -0.315 0.000 1.123 28 A CB -2.013 16.843 19.000 -0.239 0.000 1.143 28 A HN 0.439 nan 8.150 nan 0.000 0.853 29 D N 0.947 121.196 120.400 -0.253 0.000 2.634 29 D HA 0.330 4.972 4.640 0.003 0.000 0.318 29 D C -2.550 173.643 176.300 -0.178 0.000 1.226 29 D CA -0.766 53.120 54.000 -0.191 0.000 0.899 29 D CB 1.012 41.732 40.800 -0.133 0.000 1.025 29 D HN 0.498 nan 8.370 nan 0.000 0.501 30 P HA 0.160 nan 4.420 nan 0.000 0.275 30 P C 0.357 177.597 177.300 -0.100 0.000 1.228 30 P CA -0.071 62.950 63.100 -0.131 0.000 0.786 30 P CB 2.154 33.790 31.700 -0.106 0.000 0.927 31 E N 1.284 121.433 120.200 -0.086 0.000 2.175 31 E HA 0.064 4.416 4.350 0.003 0.000 0.195 31 E C 1.090 177.629 176.600 -0.101 0.000 0.934 31 E CA 0.146 56.502 56.400 -0.073 0.000 0.870 31 E CB -0.057 29.624 29.700 -0.031 0.000 0.838 31 E HN 0.540 nan 8.360 nan 0.000 0.474 32 I N -0.378 120.079 120.570 -0.189 0.000 3.156 32 I HA 0.241 4.413 4.170 0.003 0.000 0.306 32 I C 0.415 176.472 176.117 -0.099 0.000 1.048 32 I CA -0.853 60.341 61.300 -0.176 0.000 1.207 32 I CB 0.842 38.656 38.000 -0.311 0.000 1.456 32 I HN -0.207 nan 8.210 nan 0.000 0.616 33 S N 0.602 116.271 115.700 -0.052 0.000 2.641 33 S HA 0.028 4.500 4.470 0.003 0.000 0.261 33 S C 0.475 175.089 174.600 0.023 0.000 1.257 33 S CA -0.190 58.006 58.200 -0.008 0.000 0.983 33 S CB 1.013 64.214 63.200 0.001 0.000 0.990 33 S HN 0.839 nan 8.310 nan 0.000 0.572 34 D N -0.082 120.342 120.400 0.041 0.000 2.305 34 D HA 0.191 4.833 4.640 0.003 0.000 0.206 34 D C 1.482 177.833 176.300 0.086 0.000 0.974 34 D CA 0.719 54.744 54.000 0.042 0.000 0.871 34 D CB -0.031 40.790 40.800 0.035 0.000 0.947 34 D HN 0.468 nan 8.370 nan 0.000 0.516 35 A N -0.239 122.614 122.820 0.055 0.000 2.063 35 A HA 0.074 4.396 4.320 0.003 0.000 0.211 35 A C 1.939 179.540 177.584 0.028 0.000 1.177 35 A CA 0.237 52.296 52.037 0.036 0.000 0.759 35 A CB -0.153 18.858 19.000 0.018 0.000 0.857 35 A HN 0.105 nan 8.150 nan 0.000 0.468 36 E N -1.245 118.976 120.200 0.035 0.000 2.435 36 E HA -0.097 4.254 4.350 0.003 0.000 0.195 36 E C 1.251 177.876 176.600 0.041 0.000 1.029 36 E CA 0.507 56.918 56.400 0.019 0.000 0.865 36 E CB -0.051 29.650 29.700 0.002 0.000 0.833 36 E HN 0.728 nan 8.360 nan 0.000 0.510 37 Y N 1.025 121.285 120.300 -0.067 0.000 2.365 37 Y HA -0.024 4.528 4.550 0.003 0.000 0.293 37 Y C 1.151 177.033 175.900 -0.030 0.000 1.119 37 Y CA 1.274 59.336 58.100 -0.062 0.000 1.203 37 Y CB 0.158 38.571 38.460 -0.078 0.000 1.026 37 Y HN -0.074 nan 8.280 nan 0.000 0.549 38 D N -0.491 119.800 120.400 -0.181 0.000 2.347 38 D HA -0.007 4.635 4.640 0.003 0.000 0.213 38 D C 1.869 178.077 176.300 -0.152 0.000 0.985 38 D CA 0.388 54.241 54.000 -0.245 0.000 0.879 38 D CB 0.036 40.763 40.800 -0.121 0.000 0.919 38 D HN 0.147 nan 8.370 nan 0.000 0.526 39 R N -0.107 120.337 120.500 -0.092 0.000 2.235 39 R HA 0.039 4.381 4.340 0.003 0.000 0.213 39 R C 1.130 177.395 176.300 -0.058 0.000 1.059 39 R CA 0.401 56.468 56.100 -0.055 0.000 0.997 39 R CB 0.056 30.340 30.300 -0.026 0.000 0.884 39 R HN 0.229 nan 8.270 nan 0.000 0.462 40 L N -0.457 120.714 121.223 -0.088 0.000 2.316 40 L HA 0.091 4.433 4.340 0.003 0.000 0.207 40 L C 2.175 178.983 176.870 -0.103 0.000 1.070 40 L CA 0.839 55.640 54.840 -0.065 0.000 0.820 40 L CB -0.560 41.485 42.059 -0.023 0.000 0.992 40 L HN 0.042 nan 8.230 nan 0.000 0.466 41 L N -0.680 120.418 121.223 -0.207 0.000 2.201 41 L HA -0.191 4.151 4.340 0.003 0.000 0.212 41 L C 2.712 179.510 176.870 -0.120 0.000 1.105 41 L CA 1.046 55.761 54.840 -0.208 0.000 0.775 41 L CB -0.016 41.828 42.059 -0.359 0.000 0.913 41 L HN 0.268 nan 8.230 nan 0.000 0.440 42 R N -0.255 120.185 120.500 -0.100 0.000 2.080 42 R HA -0.166 4.176 4.340 0.003 0.000 0.222 42 R C 2.207 178.490 176.300 -0.029 0.000 1.107 42 R CA 1.140 57.205 56.100 -0.059 0.000 0.980 42 R CB -0.016 30.252 30.300 -0.053 0.000 0.879 42 R HN 0.305 nan 8.270 nan 0.000 0.439 43 E N 0.520 120.705 120.200 -0.024 0.000 2.204 43 E HA -0.197 4.155 4.350 0.003 0.000 0.195 43 E C 1.896 178.506 176.600 0.017 0.000 0.990 43 E CA 0.694 57.095 56.400 0.003 0.000 0.821 43 E CB -0.001 29.701 29.700 0.005 0.000 0.750 43 E HN 0.375 nan 8.360 nan 0.000 0.477 44 L N 0.709 121.931 121.223 -0.001 0.000 2.046 44 L HA -0.185 4.157 4.340 0.003 0.000 0.208 44 L C 2.499 179.386 176.870 0.029 0.000 1.077 44 L CA 1.544 56.389 54.840 0.009 0.000 0.747 44 L CB -0.158 41.892 42.059 -0.016 0.000 0.896 44 L HN 0.068 nan 8.230 nan 0.000 0.432 45 K N -0.235 120.172 120.400 0.011 0.000 2.288 45 K HA -0.178 4.144 4.320 0.003 0.000 0.201 45 K C 2.025 178.646 176.600 0.035 0.000 1.048 45 K CA 0.880 57.177 56.287 0.017 0.000 0.956 45 K CB 0.028 32.524 32.500 -0.007 0.000 0.746 45 K HN 0.230 nan 8.250 nan 0.000 0.461 46 E N 0.141 120.365 120.200 0.040 0.000 2.028 46 E HA -0.124 4.227 4.350 0.003 0.000 0.190 46 E C 1.676 178.339 176.600 0.105 0.000 0.984 46 E CA 1.059 57.490 56.400 0.051 0.000 0.800 46 E CB 0.020 29.747 29.700 0.044 0.000 0.758 46 E HN 0.233 nan 8.360 nan 0.000 0.448 47 L N 1.212 122.528 121.223 0.154 0.000 2.201 47 L HA -0.081 4.261 4.340 0.003 0.000 0.212 47 L C 2.185 179.263 176.870 0.346 0.000 1.105 47 L CA 1.130 56.152 54.840 0.303 0.000 0.775 47 L CB -0.233 41.961 42.059 0.225 0.000 0.913 47 L HN 0.083 nan 8.230 nan 0.000 0.440 48 E N -0.883 119.436 120.200 0.198 0.000 2.516 48 E HA -0.172 4.180 4.350 0.003 0.000 0.199 48 E C 1.401 178.070 176.600 0.114 0.000 1.069 48 E CA 0.299 56.801 56.400 0.171 0.000 0.876 48 E CB 0.327 30.088 29.700 0.103 0.000 0.843 48 E HN 0.364 nan 8.360 nan 0.000 0.530 49 E N -0.433 119.816 120.200 0.083 0.000 2.399 49 E HA 0.030 4.382 4.350 0.003 0.000 0.205 49 E C 1.106 177.662 176.600 -0.073 0.000 0.906 49 E CA 0.215 56.619 56.400 0.006 0.000 0.998 49 E CB 0.405 30.102 29.700 -0.004 0.000 1.002 49 E HN 0.110 nan 8.360 nan 0.000 0.501 50 R N -0.393 120.033 120.500 -0.123 0.000 2.334 50 R HA 0.225 4.567 4.340 0.003 0.000 0.220 50 R C -0.519 175.210 176.300 -0.951 0.000 0.917 50 R CA 0.223 56.057 56.100 -0.443 0.000 1.073 50 R CB -0.004 30.026 30.300 -0.449 0.000 1.056 50 R HN -0.029 nan 8.270 nan 0.000 0.506 51 F N -0.258 119.665 119.950 -0.044 0.000 2.883 51 F HA 0.324 4.853 4.527 0.002 0.000 0.383 51 F C -2.195 173.517 175.800 -0.147 0.000 1.342 51 F CA -2.040 55.876 58.000 -0.141 0.000 1.150 51 F CB 1.989 40.935 39.000 -0.089 0.000 2.189 51 F HN -0.151 nan 8.300 nan 0.000 0.593 52 P HA -0.173 nan 4.420 nan 0.000 0.225 52 P C 1.416 178.696 177.300 -0.034 0.000 1.148 52 P CA 1.325 64.415 63.100 -0.018 0.000 0.779 52 P CB 0.142 31.815 31.700 -0.044 0.000 0.780 53 E N -0.144 119.974 120.200 -0.137 0.000 2.077 53 E HA -0.188 4.164 4.350 0.003 0.000 0.193 53 E C 1.193 177.775 176.600 -0.029 0.000 0.989 53 E CA 1.024 57.326 56.400 -0.164 0.000 0.800 53 E CB -1.401 28.096 29.700 -0.337 0.000 0.746 53 E HN 0.279 nan 8.360 nan 0.000 0.452 54 F N 1.796 121.793 119.950 0.079 0.000 2.802 54 F HA 0.100 4.628 4.527 0.002 0.000 0.302 54 F C 0.651 176.474 175.800 0.038 0.000 1.211 54 F CA -0.246 57.785 58.000 0.053 0.000 1.431 54 F CB -0.003 39.024 39.000 0.044 0.000 1.114 54 F HN -0.259 nan 8.300 nan 0.000 0.567 55 K N 1.459 121.964 120.400 0.175 0.000 2.378 55 K HA 0.194 4.516 4.320 0.003 0.000 0.288 55 K C -0.207 176.443 176.600 0.083 0.000 1.057 55 K CA -0.016 56.333 56.287 0.105 0.000 0.971 55 K CB 0.679 33.215 32.500 0.059 0.000 0.975 55 K HN -0.047 nan 8.250 nan 0.000 0.475 56 S N 4.470 120.209 115.700 0.064 0.000 2.519 56 S HA 0.224 4.696 4.470 0.003 0.000 0.309 56 S C -1.836 172.771 174.600 0.012 0.000 1.100 56 S CA -1.284 56.939 58.200 0.039 0.000 1.059 56 S CB 1.700 64.922 63.200 0.037 0.000 1.008 56 S HN 0.489 nan 8.310 nan 0.000 0.478 57 P HA -0.035 nan 4.420 nan 0.000 0.236 57 P C -0.082 177.201 177.300 -0.028 0.000 1.172 57 P CA 0.730 63.822 63.100 -0.013 0.000 0.759 57 P CB 0.160 31.852 31.700 -0.013 0.000 0.843 58 D N -0.947 119.437 120.400 -0.026 0.000 2.327 58 D HA -0.006 4.636 4.640 0.003 0.000 0.205 58 D C 0.942 177.208 176.300 -0.056 0.000 0.989 58 D CA 0.431 54.403 54.000 -0.046 0.000 0.873 58 D CB -0.199 40.573 40.800 -0.047 0.000 0.955 58 D HN 0.097 nan 8.370 nan 0.000 0.515 59 S N 1.066 116.744 115.700 -0.037 0.000 2.563 59 S HA 0.019 4.491 4.470 0.003 0.000 0.284 59 S C -1.520 173.057 174.600 -0.039 0.000 1.331 59 S CA -1.074 57.105 58.200 -0.035 0.000 1.047 59 S CB 1.351 64.544 63.200 -0.012 0.000 0.859 59 S HN -0.170 nan 8.310 nan 0.000 0.514 60 P HA -0.102 nan 4.420 nan 0.000 0.218 60 P C 1.672 178.949 177.300 -0.038 0.000 1.148 60 P CA 1.596 64.678 63.100 -0.031 0.000 0.822 60 P CB -0.258 31.434 31.700 -0.014 0.000 0.784 61 T N -1.964 112.569 114.554 -0.036 0.000 2.803 61 T HA -0.197 4.154 4.350 0.003 0.000 0.269 61 T C 1.434 176.113 174.700 -0.035 0.000 1.052 61 T CA 1.145 63.223 62.100 -0.036 0.000 1.136 61 T CB -0.985 67.868 68.868 -0.025 0.000 0.864 61 T HN 0.212 nan 8.240 nan 0.000 0.467 62 E N 1.718 121.897 120.200 -0.034 0.000 2.515 62 E HA -0.086 4.266 4.350 0.003 0.000 0.201 62 E C 1.513 178.086 176.600 -0.045 0.000 1.071 62 E CA 0.808 57.187 56.400 -0.036 0.000 0.880 62 E CB -0.225 29.454 29.700 -0.035 0.000 0.828 62 E HN 0.970 nan 8.360 nan 0.000 0.540 63 Q N -1.291 118.479 119.800 -0.050 0.000 1.820 63 Q HA 0.067 4.409 4.340 0.003 0.000 0.179 63 Q C 0.774 176.740 176.000 -0.058 0.000 0.798 63 Q CA -0.021 55.748 55.803 -0.056 0.000 0.887 63 Q CB -0.922 27.774 28.738 -0.071 0.000 1.240 63 Q HN 0.037 nan 8.270 nan 0.000 0.394 64 V N -0.165 119.717 119.914 -0.052 0.000 4.276 64 V HA 0.320 4.441 4.120 0.003 0.000 0.303 64 V C 1.100 177.163 176.094 -0.052 0.000 1.003 64 V CA 1.099 63.369 62.300 -0.051 0.000 1.140 64 V CB -1.086 30.707 31.823 -0.051 0.000 1.163 64 V HN 0.855 nan 8.190 nan 0.000 0.462 65 G N -1.504 107.274 108.800 -0.038 0.000 2.428 65 G HA2 0.402 4.364 3.960 0.003 0.000 0.202 65 G HA3 0.402 4.364 3.960 0.003 0.000 0.202 65 G C 0.150 175.042 174.900 -0.012 0.000 1.247 65 G CA 0.091 45.175 45.100 -0.026 0.000 1.020 65 G HN 2.217 nan 8.290 nan 0.000 0.529 66 A N -0.083 122.735 122.820 -0.004 0.000 2.507 66 A HA 0.628 4.950 4.320 0.003 0.000 0.270 66 A C 1.031 178.559 177.584 -0.092 0.000 1.318 66 A CA 0.438 52.507 52.037 0.054 0.000 0.924 66 A CB -0.108 18.967 19.000 0.125 0.000 1.061 66 A HN 0.580 nan 8.150 nan 0.000 0.516 67 R N 1.073 121.436 120.500 -0.228 0.000 2.643 67 R HA 0.412 4.754 4.340 0.003 0.000 0.272 67 R C -2.627 173.357 176.300 -0.527 0.000 0.995 67 R CA -2.142 53.795 56.100 -0.272 0.000 1.032 67 R CB 0.633 30.853 30.300 -0.133 0.000 1.126 67 R HN 0.120 nan 8.270 nan 0.000 0.505 68 P HA -0.051 nan 4.420 nan 0.000 0.266 68 P C -0.395 176.783 177.300 -0.203 0.000 1.215 68 P CA -0.256 62.635 63.100 -0.349 0.000 0.763 68 P CB 0.517 32.157 31.700 -0.100 0.000 0.806 69 L N 4.425 125.546 121.223 -0.170 0.000 2.737 69 L HA -0.019 4.323 4.340 0.003 0.000 0.288 69 L C 0.709 177.546 176.870 -0.056 0.000 1.185 69 L CA 0.619 55.410 54.840 -0.081 0.000 1.127 69 L CB -1.445 40.606 42.059 -0.013 0.000 1.432 69 L HN 0.352 nan 8.230 nan 0.000 0.449 70 E N 6.075 126.225 120.200 -0.083 0.000 2.398 70 E HA 0.166 4.518 4.350 0.003 0.000 0.263 70 E C -2.124 174.396 176.600 -0.133 0.000 1.046 70 E CA -1.525 54.816 56.400 -0.098 0.000 0.908 70 E CB 0.164 29.783 29.700 -0.135 0.000 0.963 70 E HN 0.437 nan 8.360 nan 0.000 0.431 71 P HA 0.027 nan 4.420 nan 0.000 0.286 71 P C -0.793 176.277 177.300 -0.383 0.000 1.269 71 P CA -0.496 62.522 63.100 -0.138 0.000 0.787 71 P CB 0.766 32.517 31.700 0.084 0.000 0.920 72 T N 0.701 115.123 114.554 -0.220 0.000 2.776 72 T HA 0.280 4.631 4.350 0.003 0.000 0.292 72 T C 0.698 175.367 174.700 -0.052 0.000 0.921 72 T CA -0.450 61.517 62.100 -0.222 0.000 1.038 72 T CB -0.922 67.881 68.868 -0.108 0.000 0.910 72 T HN 0.246 nan 8.240 nan 0.000 0.536 73 F N 1.939 121.889 119.950 -0.001 0.000 2.697 73 F HA 0.057 4.583 4.527 -0.001 0.000 0.298 73 F C 1.615 177.416 175.800 0.000 0.000 1.308 73 F CA -1.155 56.848 58.000 0.005 0.000 1.447 73 F CB -0.471 38.537 39.000 0.013 0.000 1.082 73 F HN 0.494 nan 8.300 nan 0.000 0.517 74 R N 0.633 121.211 120.500 0.128 0.000 2.590 74 R HA 0.277 4.618 4.340 0.003 0.000 0.274 74 R C -2.967 173.366 176.300 0.055 0.000 1.061 74 R CA -1.652 54.488 56.100 0.068 0.000 1.081 74 R CB -0.469 29.846 30.300 0.025 0.000 0.984 74 R HN -0.100 nan 8.270 nan 0.000 0.448 75 P HA 0.026 nan 4.420 nan 0.000 0.268 75 P C -1.111 176.168 177.300 -0.036 0.000 1.204 75 P CA -0.169 62.929 63.100 -0.004 0.000 0.768 75 P CB 1.011 32.706 31.700 -0.007 0.000 0.842 76 V N 3.775 123.638 119.914 -0.084 0.000 2.733 76 V HA 0.397 4.519 4.120 0.003 0.000 0.306 76 V C 0.043 175.970 176.094 -0.277 0.000 1.084 76 V CA -0.852 61.371 62.300 -0.128 0.000 0.905 76 V CB 2.118 33.891 31.823 -0.084 0.000 1.010 76 V HN 0.411 nan 8.190 nan 0.000 0.424 77 R N 3.877 124.242 120.500 -0.226 0.000 2.267 77 R HA 0.338 4.680 4.340 0.003 0.000 0.319 77 R C -0.130 176.012 176.300 -0.262 0.000 1.067 77 R CA -0.424 55.515 56.100 -0.268 0.000 0.936 77 R CB 0.396 30.615 30.300 -0.135 0.000 1.006 77 R HN 0.840 nan 8.270 nan 0.000 0.452 78 H N 4.944 123.986 119.070 -0.047 0.000 2.707 78 H HA 0.038 4.597 4.556 0.005 0.000 0.359 78 H C -1.799 173.476 175.328 -0.089 0.000 1.113 78 H CA -1.908 54.107 56.048 -0.056 0.000 1.422 78 H CB 0.778 30.526 29.762 -0.024 0.000 1.443 78 H HN 0.539 nan 8.280 nan 0.000 0.591 79 P HA -0.162 nan 4.420 nan 0.000 0.213 79 P C 0.684 177.982 177.300 -0.003 0.000 1.176 79 P CA 2.106 65.162 63.100 -0.072 0.000 0.919 79 P CB 0.094 31.705 31.700 -0.148 0.000 0.791 80 T N -3.234 111.337 114.554 0.029 0.000 2.944 80 T HA 0.435 4.787 4.350 0.003 0.000 0.284 80 T C -0.013 174.687 174.700 -0.000 0.000 1.010 80 T CA -1.064 61.049 62.100 0.021 0.000 1.025 80 T CB 1.595 70.490 68.868 0.045 0.000 1.079 80 T HN -0.084 nan 8.240 nan 0.000 0.516 81 R N 0.762 121.217 120.500 -0.074 0.000 2.539 81 R HA 0.419 4.761 4.340 0.003 0.000 0.275 81 R C -0.434 175.731 176.300 -0.226 0.000 1.077 81 R CA -0.468 55.508 56.100 -0.208 0.000 1.097 81 R CB 0.398 30.430 30.300 -0.446 0.000 1.018 81 R HN 0.708 nan 8.270 nan 0.000 0.483 82 M N 4.778 124.225 119.600 -0.254 0.000 2.047 82 M HA 0.239 4.721 4.480 0.003 0.000 0.342 82 M C -1.195 175.014 176.300 -0.152 0.000 1.058 82 M CA -0.447 54.760 55.300 -0.155 0.000 0.991 82 M CB 1.108 33.579 32.600 -0.215 0.000 1.474 82 M HN 0.516 nan 8.290 nan 0.000 0.419 83 Y N 0.602 120.874 120.300 -0.047 0.000 2.282 83 Y HA 0.434 4.987 4.550 0.006 0.000 0.335 83 Y C 1.097 176.989 175.900 -0.014 0.000 1.335 83 Y CA -0.178 57.906 58.100 -0.027 0.000 1.529 83 Y CB 0.948 39.416 38.460 0.012 0.000 1.429 83 Y HN 0.612 nan 8.280 nan 0.000 0.563 84 S N 0.060 115.871 115.700 0.185 0.000 2.648 84 S HA 0.744 5.216 4.470 0.003 0.000 0.305 84 S C -1.161 173.445 174.600 0.012 0.000 1.094 84 S CA -1.032 57.205 58.200 0.062 0.000 0.983 84 S CB 1.032 64.255 63.200 0.039 0.000 1.101 84 S HN 0.509 nan 8.310 nan 0.000 0.514 85 L N 1.219 122.403 121.223 -0.064 0.000 2.360 85 L HA 0.513 4.855 4.340 0.003 0.000 0.271 85 L C -0.089 176.715 176.870 -0.110 0.000 1.057 85 L CA -0.943 53.815 54.840 -0.136 0.000 0.803 85 L CB 0.733 42.673 42.059 -0.198 0.000 1.207 85 L HN 0.648 nan 8.230 nan 0.000 0.445 86 D N 1.281 121.599 120.400 -0.136 0.000 2.255 86 D HA 0.190 4.832 4.640 0.003 0.000 0.249 86 D C -0.484 175.742 176.300 -0.123 0.000 1.078 86 D CA -0.048 53.897 54.000 -0.091 0.000 0.896 86 D CB 1.038 41.794 40.800 -0.074 0.000 1.194 86 D HN 0.463 nan 8.370 nan 0.000 0.429 87 N N 0.378 119.051 118.700 -0.045 0.000 2.422 87 N HA 0.459 5.201 4.740 0.003 0.000 0.266 87 N C -0.734 174.782 175.510 0.010 0.000 1.007 87 N CA -0.528 52.484 53.050 -0.063 0.000 0.941 87 N CB 1.493 40.012 38.487 0.053 0.000 1.115 87 N HN 0.304 nan 8.380 nan 0.000 0.492 88 A N 1.960 124.667 122.820 -0.188 0.000 2.324 88 A HA 0.573 4.895 4.320 0.003 0.000 0.330 88 A C -0.578 176.925 177.584 -0.134 0.000 1.165 88 A CA -0.453 51.510 52.037 -0.124 0.000 0.813 88 A CB 0.202 18.971 19.000 -0.384 0.000 1.197 88 A HN 0.714 nan 8.150 nan 0.000 0.484 89 F N 0.496 120.432 119.950 -0.022 0.000 2.746 89 F HA 0.210 4.739 4.527 0.002 0.000 0.320 89 F C 1.160 177.059 175.800 0.166 0.000 1.097 89 F CA 0.672 58.745 58.000 0.121 0.000 1.195 89 F CB 0.752 39.804 39.000 0.088 0.000 1.056 89 F HN 0.632 nan 8.300 nan 0.000 0.562 90 T N -4.737 109.915 114.554 0.163 0.000 2.883 90 T HA 0.219 4.571 4.350 0.003 0.000 0.301 90 T C 0.260 174.881 174.700 -0.131 0.000 1.158 90 T CA -0.529 61.644 62.100 0.121 0.000 1.007 90 T CB 1.263 70.188 68.868 0.095 0.000 1.186 90 T HN 0.045 nan 8.240 nan 0.000 0.499 91 Y N 1.372 121.625 120.300 -0.079 0.000 2.352 91 Y HA -0.027 4.525 4.550 0.003 0.000 0.292 91 Y C 2.182 177.995 175.900 -0.145 0.000 1.136 91 Y CA 1.732 59.737 58.100 -0.158 0.000 1.227 91 Y CB -0.143 38.320 38.460 0.006 0.000 0.991 91 Y HN 0.716 nan 8.280 nan 0.000 0.545 92 E N 0.661 120.793 120.200 -0.114 0.000 2.058 92 E HA -0.236 4.116 4.350 0.003 0.000 0.194 92 E C 1.889 178.351 176.600 -0.229 0.000 0.997 92 E CA 1.832 58.147 56.400 -0.142 0.000 0.801 92 E CB -0.398 29.290 29.700 -0.020 0.000 0.746 92 E HN 0.706 nan 8.360 nan 0.000 0.450 93 E N 0.660 120.731 120.200 -0.215 0.000 2.107 93 E HA -0.090 4.262 4.350 0.003 0.000 0.191 93 E C 2.320 178.753 176.600 -0.278 0.000 0.982 93 E CA 0.883 57.163 56.400 -0.199 0.000 0.809 93 E CB 0.038 29.650 29.700 -0.146 0.000 0.756 93 E HN 0.022 nan 8.360 nan 0.000 0.459 94 V N 1.695 121.313 119.914 -0.494 0.000 2.343 94 V HA -0.250 3.872 4.120 0.003 0.000 0.247 94 V C 2.360 178.257 176.094 -0.328 0.000 1.051 94 V CA 1.516 63.506 62.300 -0.517 0.000 1.036 94 V CB -0.485 30.868 31.823 -0.783 0.000 0.654 94 V HN 0.239 nan 8.190 nan 0.000 0.451 95 L N 1.373 122.283 121.223 -0.522 0.000 2.017 95 L HA -0.086 4.256 4.340 0.003 0.000 0.208 95 L C 2.439 179.203 176.870 -0.176 0.000 1.073 95 L CA 2.490 57.094 54.840 -0.392 0.000 0.745 95 L CB -1.004 40.742 42.059 -0.522 0.000 0.894 95 L HN 0.183 nan 8.230 nan 0.000 0.432 96 A N -0.868 121.856 122.820 -0.160 0.000 1.978 96 A HA -0.254 4.068 4.320 0.003 0.000 0.220 96 A C 2.269 179.817 177.584 -0.059 0.000 1.170 96 A CA 1.813 53.795 52.037 -0.093 0.000 0.636 96 A CB -1.254 17.698 19.000 -0.080 0.000 0.810 96 A HN 0.650 nan 8.150 nan 0.000 0.448 97 F N 0.657 120.496 119.950 -0.186 0.000 2.134 97 F HA -0.126 4.402 4.527 0.003 0.000 0.299 97 F C 2.103 177.845 175.800 -0.098 0.000 1.097 97 F CA 2.095 59.998 58.000 -0.162 0.000 1.264 97 F CB -0.189 38.674 39.000 -0.228 0.000 1.001 97 F HN 0.390 nan 8.300 nan 0.000 0.479 98 E N -0.158 120.006 120.200 -0.060 0.000 2.152 98 E HA -0.215 4.137 4.350 0.003 0.000 0.192 98 E C 2.009 178.538 176.600 -0.118 0.000 0.983 98 E CA 1.098 57.466 56.400 -0.055 0.000 0.818 98 E CB -0.086 29.695 29.700 0.136 0.000 0.758 98 E HN 0.515 nan 8.360 nan 0.000 0.467 99 E N 0.502 120.638 120.200 -0.106 0.000 2.077 99 E HA -0.164 4.188 4.350 0.003 0.000 0.193 99 E C 2.036 178.561 176.600 -0.126 0.000 0.989 99 E CA 0.955 57.299 56.400 -0.093 0.000 0.800 99 E CB -0.029 29.625 29.700 -0.075 0.000 0.746 99 E HN 0.069 nan 8.360 nan 0.000 0.452 100 R N 0.264 120.656 120.500 -0.179 0.000 2.127 100 R HA -0.124 4.218 4.340 0.003 0.000 0.238 100 R C 1.836 178.007 176.300 -0.215 0.000 1.134 100 R CA 1.052 57.037 56.100 -0.192 0.000 0.975 100 R CB -0.191 29.970 30.300 -0.232 0.000 0.865 100 R HN 0.264 nan 8.270 nan 0.000 0.447 101 L N 0.320 121.376 121.223 -0.278 0.000 2.478 101 L HA 0.012 4.354 4.340 0.003 0.000 0.223 101 L C 1.318 178.114 176.870 -0.125 0.000 1.140 101 L CA 0.624 55.331 54.840 -0.223 0.000 0.842 101 L CB -0.112 41.792 42.059 -0.257 0.000 0.953 101 L HN 0.149 nan 8.230 nan 0.000 0.452 102 E N 0.346 120.482 120.200 -0.106 0.000 2.485 102 E HA -0.039 4.313 4.350 0.003 0.000 0.194 102 E C 0.936 177.500 176.600 -0.060 0.000 1.098 102 E CA -0.173 56.185 56.400 -0.070 0.000 0.878 102 E CB 0.200 29.866 29.700 -0.056 0.000 0.939 102 E HN 0.276 nan 8.360 nan 0.000 0.503 103 R N 0.607 121.067 120.500 -0.067 0.000 2.340 103 R HA 0.055 4.396 4.340 0.003 0.000 0.215 103 R C 0.349 176.623 176.300 -0.043 0.000 1.017 103 R CA 0.416 56.484 56.100 -0.053 0.000 1.111 103 R CB -0.032 30.233 30.300 -0.057 0.000 1.049 103 R HN 0.237 nan 8.270 nan 0.000 0.490 104 E N -0.607 119.568 120.200 -0.043 0.000 3.245 104 E HA 0.382 4.733 4.350 0.003 0.000 0.225 104 E C 0.210 176.791 176.600 -0.033 0.000 1.199 104 E CA 0.301 56.680 56.400 -0.035 0.000 1.004 104 E CB -0.395 29.284 29.700 -0.035 0.000 3.119 104 E HN 0.066 nan 8.360 nan 0.000 0.560 105 A N 1.018 123.817 122.820 -0.036 0.000 2.768 105 A HA 0.324 4.646 4.320 0.003 0.000 0.239 105 A C 0.476 178.040 177.584 -0.034 0.000 1.794 105 A CA -0.093 51.924 52.037 -0.034 0.000 0.853 105 A CB -0.443 18.535 19.000 -0.037 0.000 1.725 105 A HN 0.220 nan 8.150 nan 0.000 0.648 106 E N -1.714 118.466 120.200 -0.033 0.000 4.318 106 E HA 0.235 4.587 4.350 0.003 0.000 0.486 106 E C 1.379 177.962 176.600 -0.027 0.000 1.535 106 E CA 0.305 56.688 56.400 -0.028 0.000 3.006 106 E CB -0.000 29.684 29.700 -0.026 0.000 1.318 106 E HN 0.617 nan 8.360 nan 0.000 0.636 107 A N 0.533 123.341 122.820 -0.019 0.000 1.919 107 A HA 0.114 4.435 4.320 0.003 0.000 0.211 107 A C -1.692 175.891 177.584 -0.002 0.000 1.310 107 A CA 0.054 52.085 52.037 -0.009 0.000 0.651 107 A CB -0.902 18.099 19.000 0.002 0.000 0.996 107 A HN 0.415 nan 8.150 nan 0.000 0.479 108 P HA 0.390 nan 4.420 nan 0.000 0.291 108 P C -0.940 176.326 177.300 -0.056 0.000 1.378 108 P CA 0.133 63.237 63.100 0.006 0.000 0.853 108 P CB 1.333 33.047 31.700 0.024 0.000 1.002 109 S N 3.109 118.732 115.700 -0.128 0.000 2.554 109 S HA 0.334 4.806 4.470 0.003 0.000 0.278 109 S C 0.175 174.448 174.600 -0.545 0.000 1.242 109 S CA -0.568 57.445 58.200 -0.312 0.000 1.051 109 S CB 0.627 63.612 63.200 -0.358 0.000 0.986 109 S HN 0.414 nan 8.310 nan 0.000 0.502 110 L N 3.679 124.664 121.223 -0.396 0.000 2.380 110 L HA 0.454 4.795 4.340 0.003 0.000 0.273 110 L C -1.259 175.396 176.870 -0.358 0.000 1.138 110 L CA 0.369 55.042 54.840 -0.277 0.000 0.832 110 L CB -0.344 41.647 42.059 -0.113 0.000 1.124 110 L HN 0.641 nan 8.230 nan 0.000 0.454 111 Y N 1.538 121.910 120.300 0.119 0.000 2.665 111 Y HA 0.614 5.166 4.550 0.003 0.000 0.336 111 Y C 0.052 176.049 175.900 0.162 0.000 1.085 111 Y CA -1.047 57.147 58.100 0.157 0.000 1.096 111 Y CB 1.936 40.489 38.460 0.156 0.000 1.301 111 Y HN 0.401 nan 8.280 nan 0.000 0.493 112 T N 1.804 116.591 114.554 0.389 0.000 2.809 112 T HA 0.552 4.904 4.350 0.003 0.000 0.284 112 T C -1.269 173.577 174.700 0.243 0.000 0.992 112 T CA -0.590 61.700 62.100 0.317 0.000 0.957 112 T CB 0.936 69.988 68.868 0.308 0.000 0.942 112 T HN 0.310 nan 8.240 nan 0.000 0.439 113 V N 4.960 125.002 119.914 0.213 0.000 2.459 113 V HA 0.581 4.703 4.120 0.003 0.000 0.295 113 V C -0.028 176.141 176.094 0.126 0.000 1.029 113 V CA -0.795 61.579 62.300 0.124 0.000 0.874 113 V CB 1.482 33.359 31.823 0.091 0.000 0.985 113 V HN 0.953 nan 8.190 nan 0.000 0.438 114 E N 2.441 122.690 120.200 0.082 0.000 2.433 114 E HA 0.603 4.955 4.350 0.003 0.000 0.273 114 E C -1.129 175.517 176.600 0.077 0.000 0.950 114 E CA -1.043 55.432 56.400 0.124 0.000 0.796 114 E CB 1.914 31.736 29.700 0.203 0.000 1.330 114 E HN 0.681 nan 8.360 nan 0.000 0.455 115 H N 0.012 119.191 119.070 0.182 0.000 2.544 115 H HA 0.262 4.820 4.556 0.003 0.000 0.365 115 H C -0.463 174.895 175.328 0.050 0.000 1.268 115 H CA -0.437 55.691 56.048 0.133 0.000 1.400 115 H CB 1.052 30.968 29.762 0.256 0.000 1.538 115 H HN 0.125 nan 8.280 nan 0.000 0.597 116 K N 2.029 122.529 120.400 0.166 0.000 2.281 116 K HA 0.242 4.564 4.320 0.003 0.000 0.272 116 K C -0.731 175.828 176.600 -0.069 0.000 1.048 116 K CA -0.434 55.831 56.287 -0.036 0.000 0.898 116 K CB 1.306 33.733 32.500 -0.122 0.000 1.128 116 K HN 0.247 nan 8.250 nan 0.000 0.460 117 V N 1.244 121.032 119.914 -0.209 0.000 3.700 117 V HA 0.342 4.463 4.120 0.003 0.000 0.277 117 V C -0.233 175.743 176.094 -0.197 0.000 1.067 117 V CA -0.718 61.371 62.300 -0.352 0.000 0.897 117 V CB 0.985 32.397 31.823 -0.686 0.000 1.231 117 V HN 0.626 nan 8.190 nan 0.000 0.425 118 D N -0.476 119.820 120.400 -0.172 0.000 2.879 118 D HA 0.616 5.258 4.640 0.003 0.000 0.236 118 D C -0.049 176.229 176.300 -0.036 0.000 1.171 118 D CA 0.639 54.596 54.000 -0.072 0.000 0.868 118 D CB 1.478 42.254 40.800 -0.041 0.000 1.598 118 D HN 1.170 nan 8.370 nan 0.000 0.497 119 G N 1.551 110.332 108.800 -0.031 0.000 2.980 119 G HA2 -0.171 3.791 3.960 0.003 0.000 0.255 119 G HA3 -0.171 3.791 3.960 0.003 0.000 0.255 119 G C -0.512 174.376 174.900 -0.021 0.000 1.020 119 G CA -0.864 44.224 45.100 -0.021 0.000 1.230 119 G HN 0.461 nan 8.290 nan 0.000 0.580 120 L N 1.806 123.024 121.223 -0.008 0.000 2.462 120 L HA 0.534 4.876 4.340 0.003 0.000 0.272 120 L C 1.013 177.890 176.870 0.011 0.000 1.166 120 L CA 0.775 55.617 54.840 0.003 0.000 0.880 120 L CB 0.969 43.039 42.059 0.020 0.000 1.142 120 L HN 0.881 nan 8.230 nan 0.000 0.473 121 S N 3.706 119.410 115.700 0.007 0.000 2.546 121 S HA 0.625 5.097 4.470 0.003 0.000 0.274 121 S C -1.079 173.578 174.600 0.095 0.000 1.121 121 S CA -0.826 57.414 58.200 0.067 0.000 0.887 121 S CB 2.147 65.409 63.200 0.103 0.000 1.094 121 S HN 0.339 nan 8.310 nan 0.000 0.474 122 V N 2.874 122.868 119.914 0.134 0.000 2.715 122 V HA 0.802 4.924 4.120 0.003 0.000 0.310 122 V C -1.817 174.447 176.094 0.283 0.000 1.054 122 V CA -0.959 61.435 62.300 0.156 0.000 0.928 122 V CB 1.543 33.393 31.823 0.046 0.000 1.007 122 V HN 0.925 nan 8.190 nan 0.000 0.437 123 L N 6.835 128.236 121.223 0.297 0.000 2.415 123 L HA 0.440 4.782 4.340 0.003 0.000 0.268 123 L C -0.857 176.309 176.870 0.492 0.000 0.984 123 L CA -0.247 54.831 54.840 0.397 0.000 0.853 123 L CB 1.326 43.522 42.059 0.229 0.000 1.215 123 L HN 0.714 nan 8.230 nan 0.000 0.419 124 Y N 3.731 124.247 120.300 0.360 0.000 2.335 124 Y HA 0.503 5.055 4.550 0.004 0.000 0.331 124 Y C -1.222 174.878 175.900 0.332 0.000 1.094 124 Y CA -0.429 57.865 58.100 0.324 0.000 1.253 124 Y CB 0.488 39.076 38.460 0.214 0.000 1.203 124 Y HN 0.434 nan 8.280 nan 0.000 0.508 125 Y N 3.625 123.694 120.300 -0.384 0.000 2.425 125 Y HA 0.424 4.976 4.550 0.003 0.000 0.344 125 Y C -0.305 175.246 175.900 -0.581 0.000 0.969 125 Y CA -1.252 56.645 58.100 -0.337 0.000 1.052 125 Y CB 1.827 40.224 38.460 -0.105 0.000 1.215 125 Y HN 0.549 nan 8.280 nan 0.000 0.451 126 E N 2.568 122.585 120.200 -0.305 0.000 2.187 126 E HA 0.264 4.616 4.350 0.003 0.000 0.268 126 E C -0.735 175.827 176.600 -0.064 0.000 0.896 126 E CA -0.594 55.675 56.400 -0.218 0.000 0.766 126 E CB 0.974 30.544 29.700 -0.217 0.000 1.142 126 E HN 0.607 nan 8.360 nan 0.000 0.408 127 E N 2.011 122.198 120.200 -0.020 0.000 2.403 127 E HA -0.331 4.020 4.350 0.003 0.000 0.241 127 E C 0.751 177.363 176.600 0.019 0.000 1.201 127 E CA 1.117 57.518 56.400 0.001 0.000 0.721 127 E CB -2.031 27.660 29.700 -0.017 0.000 1.245 127 E HN 1.071 nan 8.360 nan 0.000 0.392 128 G N -1.986 106.845 108.800 0.052 0.000 2.396 128 G HA2 -0.402 3.560 3.960 0.003 0.000 0.242 128 G HA3 -0.402 3.560 3.960 0.003 0.000 0.242 128 G C 0.507 175.510 174.900 0.172 0.000 1.069 128 G CA 0.186 45.336 45.100 0.083 0.000 0.633 128 G HN 0.458 nan 8.290 nan 0.000 0.517 129 V N 1.060 121.028 119.914 0.090 0.000 2.775 129 V HA 0.451 4.573 4.120 0.003 0.000 0.299 129 V C 0.609 176.713 176.094 0.018 0.000 1.062 129 V CA -0.235 62.102 62.300 0.062 0.000 1.063 129 V CB 1.262 33.080 31.823 -0.008 0.000 0.994 129 V HN 0.350 nan 8.190 nan 0.000 0.483 130 W N 3.631 124.720 121.300 -0.352 0.000 2.345 130 W HA 0.381 5.043 4.660 0.003 0.000 0.308 130 W C 0.909 177.186 176.519 -0.402 0.000 1.273 130 W CA -0.538 56.385 57.345 -0.704 0.000 1.243 130 W CB 0.986 29.987 29.460 -0.766 0.000 1.260 130 W HN 0.687 nan 8.180 nan 0.000 0.509 131 S N 2.255 117.849 115.700 -0.176 0.000 2.432 131 S HA 0.119 4.591 4.470 0.003 0.000 0.203 131 S C 0.644 175.048 174.600 -0.327 0.000 0.987 131 S CA 1.113 59.194 58.200 -0.198 0.000 0.908 131 S CB -0.099 63.093 63.200 -0.014 0.000 0.883 131 S HN 0.580 nan 8.310 nan 0.000 0.577 132 T N -1.459 113.038 114.554 -0.095 0.000 2.831 132 T HA 0.750 5.102 4.350 0.003 0.000 0.287 132 T C -0.557 174.282 174.700 0.231 0.000 1.070 132 T CA -0.621 61.426 62.100 -0.088 0.000 1.010 132 T CB 1.741 70.638 68.868 0.047 0.000 1.264 132 T HN 0.430 nan 8.240 nan 0.000 0.532 133 G N 0.102 109.036 108.800 0.224 0.000 2.711 133 G HA2 0.568 4.530 3.960 0.003 0.000 0.288 133 G HA3 0.568 4.530 3.960 0.003 0.000 0.288 133 G C -1.119 173.938 174.900 0.261 0.000 1.451 133 G CA -0.551 44.790 45.100 0.401 0.000 1.186 133 G HN 0.763 nan 8.290 nan 0.000 0.560 134 S N -0.183 115.679 115.700 0.270 0.000 2.715 134 S HA 0.845 5.317 4.470 0.003 0.000 0.307 134 S C 1.105 175.834 174.600 0.214 0.000 1.119 134 S CA 0.010 58.344 58.200 0.224 0.000 0.937 134 S CB 1.728 65.055 63.200 0.213 0.000 1.150 134 S HN 0.944 nan 8.310 nan 0.000 0.521 135 G N 0.055 108.956 108.800 0.170 0.000 2.935 135 G HA2 0.404 4.366 3.960 0.003 0.000 0.157 135 G HA3 0.404 4.366 3.960 0.003 0.000 0.157 135 G C -0.777 174.222 174.900 0.165 0.000 1.712 135 G CA 0.462 45.636 45.100 0.123 0.000 1.071 135 G HN 0.626 nan 8.290 nan 0.000 0.539 136 D N -4.477 115.999 120.400 0.127 0.000 2.615 136 D HA 0.541 5.182 4.640 0.003 0.000 0.267 136 D C 0.385 176.751 176.300 0.112 0.000 1.236 136 D CA 0.827 54.901 54.000 0.123 0.000 0.839 136 D CB 1.546 42.372 40.800 0.044 0.000 1.380 136 D HN 0.955 nan 8.370 nan 0.000 0.433 137 G N 0.448 109.306 108.800 0.095 0.000 1.844 137 G HA2 -0.113 3.849 3.960 0.003 0.000 0.177 137 G HA3 -0.113 3.849 3.960 0.003 0.000 0.177 137 G C 0.157 175.088 174.900 0.052 0.000 1.010 137 G CA 0.337 45.469 45.100 0.053 0.000 1.257 137 G HN 0.457 nan 8.290 nan 0.000 0.428 138 E N -0.885 119.349 120.200 0.057 0.000 2.489 138 E HA 0.405 4.757 4.350 0.003 0.000 0.208 138 E C -0.068 176.551 176.600 0.031 0.000 0.814 138 E CA 0.753 57.174 56.400 0.035 0.000 1.348 138 E CB 1.609 31.293 29.700 -0.027 0.000 1.334 138 E HN 0.346 nan 8.360 nan 0.000 0.672 139 V N 0.438 120.334 119.914 -0.030 0.000 2.588 139 V HA 0.740 4.861 4.120 0.003 0.000 0.304 139 V C 0.164 176.196 176.094 -0.103 0.000 1.042 139 V CA -0.503 61.697 62.300 -0.166 0.000 0.877 139 V CB 1.738 33.501 31.823 -0.099 0.000 0.996 139 V HN 0.178 nan 8.190 nan 0.000 0.425 140 G N 2.212 110.882 108.800 -0.216 0.000 2.569 140 G HA2 0.651 4.612 3.960 0.003 0.000 0.300 140 G HA3 0.651 4.612 3.960 0.003 0.000 0.300 140 G C -0.925 173.976 174.900 0.001 0.000 1.269 140 G CA -0.611 44.486 45.100 -0.006 0.000 0.959 140 G HN 0.618 nan 8.290 nan 0.000 0.478 141 E N 0.787 121.015 120.200 0.047 0.000 2.338 141 E HA 0.080 4.431 4.350 0.003 0.000 0.272 141 E C -0.319 176.345 176.600 0.107 0.000 1.029 141 E CA -0.249 56.193 56.400 0.070 0.000 0.872 141 E CB 1.649 31.374 29.700 0.042 0.000 1.015 141 E HN 0.403 nan 8.360 nan 0.000 0.417 142 E N 2.563 122.843 120.200 0.132 0.000 2.289 142 E HA 0.092 4.444 4.350 0.003 0.000 0.278 142 E C -0.887 175.835 176.600 0.203 0.000 1.032 142 E CA -0.126 56.352 56.400 0.129 0.000 0.854 142 E CB 1.504 31.250 29.700 0.077 0.000 1.046 142 E HN 0.316 nan 8.360 nan 0.000 0.409 143 V N 4.590 124.599 119.914 0.159 0.000 3.426 143 V HA -0.013 4.109 4.120 0.003 0.000 0.461 143 V C 1.006 177.160 176.094 0.102 0.000 1.576 143 V CA 0.443 62.856 62.300 0.188 0.000 1.732 143 V CB 0.191 32.119 31.823 0.175 0.000 1.199 143 V HN 0.781 nan 8.190 nan 0.000 0.603 144 T N 0.259 114.806 114.554 -0.011 0.000 2.620 144 T HA -0.281 4.071 4.350 0.003 0.000 0.267 144 T C 1.767 176.355 174.700 -0.188 0.000 1.044 144 T CA 2.427 64.395 62.100 -0.220 0.000 1.161 144 T CB -0.174 68.404 68.868 -0.483 0.000 0.862 144 T HN 0.498 nan 8.240 nan 0.000 0.438 145 Q N 0.973 120.708 119.800 -0.108 0.000 2.045 145 Q HA -0.103 4.239 4.340 0.003 0.000 0.206 145 Q C 2.306 178.310 176.000 0.007 0.000 0.991 145 Q CA 1.512 57.282 55.803 -0.055 0.000 0.851 145 Q CB -0.719 28.011 28.738 -0.013 0.000 0.911 145 Q HN 0.507 nan 8.270 nan 0.000 0.418 146 N N 0.333 119.076 118.700 0.071 0.000 2.430 146 N HA -0.100 4.642 4.740 0.003 0.000 0.186 146 N C 1.541 177.104 175.510 0.088 0.000 1.032 146 N CA 0.644 53.748 53.050 0.091 0.000 0.893 146 N CB -0.194 38.369 38.487 0.126 0.000 0.957 146 N HN 0.260 nan 8.380 nan 0.000 0.442 147 L N -0.613 120.692 121.223 0.136 0.000 2.558 147 L HA 0.096 4.437 4.340 0.003 0.000 0.225 147 L C 1.233 178.230 176.870 0.211 0.000 1.128 147 L CA 0.089 55.072 54.840 0.238 0.000 0.868 147 L CB -0.031 42.312 42.059 0.474 0.000 1.006 147 L HN 0.125 nan 8.230 nan 0.000 0.454 148 L N 0.093 121.348 121.223 0.054 0.000 2.341 148 L HA -0.029 4.313 4.340 0.003 0.000 0.214 148 L C 2.670 179.253 176.870 -0.479 0.000 1.115 148 L CA 1.753 56.501 54.840 -0.154 0.000 0.820 148 L CB -1.202 40.703 42.059 -0.257 0.000 0.944 148 L HN 0.396 nan 8.230 nan 0.000 0.452 149 T N -2.956 111.432 114.554 -0.276 0.000 3.113 149 T HA 0.007 4.359 4.350 0.003 0.000 0.263 149 T C 0.947 175.630 174.700 -0.028 0.000 1.143 149 T CA 0.260 62.267 62.100 -0.154 0.000 1.090 149 T CB -0.389 68.505 68.868 0.044 0.000 0.922 149 T HN 0.122 nan 8.240 nan 0.000 0.521 150 I N 3.499 124.051 120.570 -0.030 0.000 2.306 150 I HA 0.244 4.416 4.170 0.003 0.000 0.288 150 I C -1.309 174.815 176.117 0.012 0.000 1.036 150 I CA -2.645 58.664 61.300 0.016 0.000 1.221 150 I CB 1.744 39.763 38.000 0.033 0.000 1.385 150 I HN -0.067 nan 8.210 nan 0.000 0.472 151 P HA -0.181 nan 4.420 nan 0.000 0.223 151 P C 1.362 178.677 177.300 0.026 0.000 1.144 151 P CA 1.378 64.513 63.100 0.059 0.000 0.783 151 P CB -0.051 31.712 31.700 0.104 0.000 0.771 152 T N -2.598 111.976 114.554 0.033 0.000 2.985 152 T HA 0.024 4.376 4.350 0.003 0.000 0.266 152 T C 1.182 175.883 174.700 0.001 0.000 1.076 152 T CA 0.078 62.198 62.100 0.033 0.000 1.135 152 T CB -0.876 68.040 68.868 0.080 0.000 0.890 152 T HN 0.010 nan 8.240 nan 0.000 0.480 153 I N 4.845 125.419 120.570 0.007 0.000 2.581 153 I HA 0.191 4.363 4.170 0.003 0.000 0.285 153 I C -1.926 174.033 176.117 -0.264 0.000 1.129 153 I CA -1.944 59.297 61.300 -0.098 0.000 1.397 153 I CB 0.238 38.199 38.000 -0.064 0.000 1.399 153 I HN 0.173 nan 8.210 nan 0.000 0.537 154 P HA 0.213 nan 4.420 nan 0.000 0.275 154 P C -0.161 176.935 177.300 -0.340 0.000 1.228 154 P CA -0.318 62.515 63.100 -0.444 0.000 0.786 154 P CB 1.528 32.797 31.700 -0.718 0.000 0.927 155 R N 1.095 121.484 120.500 -0.185 0.000 2.103 155 R HA 0.159 4.501 4.340 0.003 0.000 0.212 155 R C 0.830 177.150 176.300 0.034 0.000 1.107 155 R CA 0.508 56.599 56.100 -0.015 0.000 1.025 155 R CB 0.198 30.457 30.300 -0.068 0.000 0.929 155 R HN 0.415 nan 8.270 nan 0.000 0.456 156 R N 1.104 121.571 120.500 -0.056 0.000 2.387 156 R HA 0.311 4.653 4.340 0.003 0.000 0.314 156 R C -0.782 175.453 176.300 -0.108 0.000 0.958 156 R CA -0.620 55.460 56.100 -0.033 0.000 0.846 156 R CB 1.667 31.941 30.300 -0.043 0.000 1.147 156 R HN -0.074 nan 8.270 nan 0.000 0.447 157 L N 1.570 122.744 121.223 -0.083 0.000 2.687 157 L HA 0.585 4.927 4.340 0.003 0.000 0.252 157 L C 0.079 176.884 176.870 -0.109 0.000 1.115 157 L CA -0.461 54.279 54.840 -0.166 0.000 0.893 157 L CB 0.317 42.267 42.059 -0.181 0.000 1.670 157 L HN 0.283 nan 8.230 nan 0.000 0.531 158 K N -0.623 119.705 120.400 -0.120 0.000 2.570 158 K HA 0.429 4.750 4.320 0.003 0.000 0.256 158 K C -0.269 176.292 176.600 -0.066 0.000 0.939 158 K CA 0.185 56.424 56.287 -0.079 0.000 0.833 158 K CB 1.627 34.074 32.500 -0.087 0.000 1.318 158 K HN 0.621 nan 8.250 nan 0.000 0.433 159 G N 1.142 109.933 108.800 -0.015 0.000 2.221 159 G HA2 -0.245 3.716 3.960 0.003 0.000 0.265 159 G HA3 -0.245 3.716 3.960 0.003 0.000 0.265 159 G C 0.089 175.043 174.900 0.091 0.000 1.041 159 G CA 0.602 45.718 45.100 0.027 0.000 0.807 159 G HN 0.607 nan 8.290 nan 0.000 0.502 160 V N -3.402 116.563 119.914 0.086 0.000 2.975 160 V HA 0.942 5.064 4.120 0.003 0.000 0.318 160 V C -1.708 174.461 176.094 0.126 0.000 1.077 160 V CA -2.742 59.660 62.300 0.170 0.000 1.000 160 V CB 1.590 33.486 31.823 0.122 0.000 1.066 160 V HN 0.046 nan 8.190 nan 0.000 0.452 161 P HA 0.273 nan 4.420 nan 0.000 0.271 161 P C -0.149 177.196 177.300 0.075 0.000 1.218 161 P CA 0.062 63.213 63.100 0.084 0.000 0.780 161 P CB 0.444 32.185 31.700 0.067 0.000 0.901 162 D N 0.789 121.226 120.400 0.063 0.000 2.172 162 D HA -0.169 4.473 4.640 0.003 0.000 0.196 162 D C 0.306 176.648 176.300 0.070 0.000 0.999 162 D CA 1.531 55.565 54.000 0.056 0.000 0.856 162 D CB -0.015 40.817 40.800 0.053 0.000 0.934 162 D HN 0.286 nan 8.370 nan 0.000 0.453 163 R N 0.239 120.802 120.500 0.106 0.000 2.358 163 R HA 0.413 4.754 4.340 0.003 0.000 0.309 163 R C -1.343 175.068 176.300 0.185 0.000 1.026 163 R CA -0.754 55.454 56.100 0.181 0.000 0.909 163 R CB 1.540 31.988 30.300 0.247 0.000 1.153 163 R HN 0.005 nan 8.270 nan 0.000 0.515 164 L N 1.750 123.069 121.223 0.160 0.000 2.322 164 L HA 0.387 4.728 4.340 0.003 0.000 0.281 164 L C -0.627 176.387 176.870 0.241 0.000 1.014 164 L CA -0.245 54.683 54.840 0.147 0.000 0.815 164 L CB 1.731 43.835 42.059 0.075 0.000 1.247 164 L HN 0.559 nan 8.230 nan 0.000 0.421 165 E N 4.502 124.824 120.200 0.204 0.000 2.402 165 E HA 0.431 4.783 4.350 0.003 0.000 0.244 165 E C -1.426 175.219 176.600 0.076 0.000 0.945 165 E CA -0.595 55.955 56.400 0.250 0.000 0.774 165 E CB 1.334 31.185 29.700 0.252 0.000 1.296 165 E HN 0.556 nan 8.360 nan 0.000 0.414 166 V N 1.968 121.864 119.914 -0.030 0.000 2.481 166 V HA 0.688 4.810 4.120 0.003 0.000 0.286 166 V C -0.231 175.812 176.094 -0.085 0.000 1.042 166 V CA -0.674 61.492 62.300 -0.224 0.000 0.928 166 V CB 1.483 32.837 31.823 -0.781 0.000 0.986 166 V HN 0.474 nan 8.190 nan 0.000 0.462 167 R N 2.528 122.996 120.500 -0.053 0.000 2.893 167 R HA 1.017 5.359 4.340 0.003 0.000 0.245 167 R C 0.482 176.671 176.300 -0.185 0.000 1.192 167 R CA 0.304 56.385 56.100 -0.031 0.000 1.077 167 R CB 1.528 31.825 30.300 -0.004 0.000 1.253 167 R HN 1.398 nan 8.270 nan 0.000 0.505 168 G N -0.783 107.659 108.800 -0.597 0.000 2.398 168 G HA2 0.176 4.138 3.960 0.003 0.000 0.251 168 G HA3 0.176 4.138 3.960 0.003 0.000 0.251 168 G C -1.594 172.862 174.900 -0.739 0.000 1.277 168 G CA -0.673 43.654 45.100 -1.289 0.000 0.927 168 G HN 0.365 nan 8.290 nan 0.000 0.477 169 E N -1.539 118.250 120.200 -0.685 0.000 2.390 169 E HA 0.564 4.916 4.350 0.003 0.000 0.277 169 E C -1.537 174.894 176.600 -0.282 0.000 0.939 169 E CA -0.768 55.435 56.400 -0.329 0.000 0.769 169 E CB 3.252 32.847 29.700 -0.174 0.000 1.251 169 E HN 0.333 nan 8.360 nan 0.000 0.450 170 V N 2.947 122.800 119.914 -0.101 0.000 2.409 170 V HA 0.415 4.537 4.120 0.003 0.000 0.291 170 V C -1.099 175.030 176.094 0.059 0.000 1.020 170 V CA -0.485 61.797 62.300 -0.029 0.000 0.848 170 V CB 0.484 32.295 31.823 -0.021 0.000 0.990 170 V HN 0.579 nan 8.190 nan 0.000 0.430 171 Y N 2.816 123.033 120.300 -0.139 0.000 2.634 171 Y HA 0.824 5.376 4.550 0.002 0.000 0.340 171 Y C -0.514 175.357 175.900 -0.048 0.000 1.058 171 Y CA -1.599 56.435 58.100 -0.110 0.000 1.081 171 Y CB 2.146 40.507 38.460 -0.166 0.000 1.295 171 Y HN 0.516 nan 8.280 nan 0.000 0.487 172 M N 3.658 123.237 119.600 -0.035 0.000 2.125 172 M HA 0.527 5.009 4.480 0.003 0.000 0.321 172 M C -2.920 173.448 176.300 0.114 0.000 0.983 172 M CA -2.043 53.231 55.300 -0.044 0.000 0.934 172 M CB 1.697 34.322 32.600 0.042 0.000 1.542 172 M HN 0.468 nan 8.290 nan 0.000 0.424 173 P HA 0.086 nan 4.420 nan 0.000 0.267 173 P C 0.631 178.069 177.300 0.231 0.000 1.200 173 P CA 0.018 63.260 63.100 0.238 0.000 0.772 173 P CB 0.631 32.432 31.700 0.167 0.000 0.855 174 I N 0.949 121.655 120.570 0.226 0.000 2.145 174 I HA -0.321 3.851 4.170 0.003 0.000 0.244 174 I C 2.228 178.493 176.117 0.247 0.000 1.075 174 I CA 1.750 63.194 61.300 0.240 0.000 1.332 174 I CB -0.470 37.617 38.000 0.144 0.000 1.033 174 I HN 0.569 nan 8.210 nan 0.000 0.410 175 E N 1.072 121.367 120.200 0.159 0.000 2.033 175 E HA -0.307 4.044 4.350 0.003 0.000 0.199 175 E C 2.273 178.942 176.600 0.114 0.000 1.011 175 E CA 1.816 58.285 56.400 0.115 0.000 0.815 175 E CB -0.115 29.637 29.700 0.086 0.000 0.755 175 E HN 0.502 nan 8.360 nan 0.000 0.451 176 A N 0.618 123.510 122.820 0.120 0.000 1.883 176 A HA -0.215 4.106 4.320 0.003 0.000 0.217 176 A C 2.072 179.730 177.584 0.122 0.000 1.186 176 A CA 1.639 53.736 52.037 0.100 0.000 0.624 176 A CB -1.083 17.966 19.000 0.082 0.000 0.822 176 A HN 0.566 nan 8.150 nan 0.000 0.444 177 F N 0.600 120.584 119.950 0.055 0.000 2.154 177 F HA -0.192 4.337 4.527 0.002 0.000 0.301 177 F C 1.770 177.626 175.800 0.094 0.000 1.087 177 F CA 1.884 59.926 58.000 0.070 0.000 1.274 177 F CB -0.252 38.791 39.000 0.071 0.000 1.009 177 F HN 0.151 nan 8.300 nan 0.000 0.485 178 L N -0.280 120.897 121.223 -0.076 0.000 2.131 178 L HA -0.099 4.243 4.340 0.003 0.000 0.206 178 L C 2.782 179.586 176.870 -0.111 0.000 1.087 178 L CA 1.047 55.792 54.840 -0.159 0.000 0.767 178 L CB -0.643 41.435 42.059 0.031 0.000 0.917 178 L HN 0.090 nan 8.230 nan 0.000 0.441 179 R N 0.449 120.928 120.500 -0.036 0.000 2.073 179 R HA -0.205 4.137 4.340 0.003 0.000 0.234 179 R C 2.351 178.637 176.300 -0.023 0.000 1.134 179 R CA 1.635 57.728 56.100 -0.010 0.000 0.952 179 R CB -0.334 29.979 30.300 0.021 0.000 0.850 179 R HN 0.195 nan 8.270 nan 0.000 0.433 180 L N 1.540 122.747 121.223 -0.027 0.000 2.042 180 L HA -0.163 4.178 4.340 0.003 0.000 0.210 180 L C 1.588 178.439 176.870 -0.031 0.000 1.076 180 L CA 1.985 56.827 54.840 0.003 0.000 0.749 180 L CB -0.890 41.202 42.059 0.056 0.000 0.893 180 L HN 0.125 nan 8.230 nan 0.000 0.432 181 N N -0.263 118.349 118.700 -0.146 0.000 2.289 181 N HA -0.160 4.581 4.740 0.003 0.000 0.184 181 N C 1.727 177.196 175.510 -0.068 0.000 1.016 181 N CA 1.313 54.266 53.050 -0.162 0.000 0.872 181 N CB 0.001 38.269 38.487 -0.366 0.000 0.973 181 N HN 0.577 nan 8.380 nan 0.000 0.433 182 E N -0.024 120.148 120.200 -0.048 0.000 2.076 182 E HA -0.070 4.282 4.350 0.003 0.000 0.190 182 E C 1.575 178.179 176.600 0.007 0.000 0.979 182 E CA 0.675 57.072 56.400 -0.005 0.000 0.807 182 E CB 0.009 29.707 29.700 -0.004 0.000 0.761 182 E HN 0.456 nan 8.360 nan 0.000 0.454 183 E N 0.754 120.957 120.200 0.004 0.000 2.077 183 E HA -0.178 4.174 4.350 0.003 0.000 0.193 183 E C 2.152 178.757 176.600 0.008 0.000 0.989 183 E CA 0.771 57.179 56.400 0.014 0.000 0.800 183 E CB -0.038 29.675 29.700 0.021 0.000 0.746 183 E HN 0.218 nan 8.360 nan 0.000 0.452 184 L N 0.944 122.163 121.223 -0.007 0.000 2.056 184 L HA -0.184 4.158 4.340 0.003 0.000 0.207 184 L C 2.388 179.251 176.870 -0.012 0.000 1.078 184 L CA 1.157 55.981 54.840 -0.028 0.000 0.749 184 L CB -0.336 41.675 42.059 -0.079 0.000 0.901 184 L HN 0.109 nan 8.230 nan 0.000 0.433 185 E N -0.172 120.035 120.200 0.011 0.000 2.058 185 E HA -0.225 4.127 4.350 0.003 0.000 0.194 185 E C 2.158 178.792 176.600 0.057 0.000 0.997 185 E CA 1.140 57.574 56.400 0.056 0.000 0.801 185 E CB -0.012 29.749 29.700 0.101 0.000 0.746 185 E HN 0.414 nan 8.360 nan 0.000 0.450 186 E N 0.581 120.806 120.200 0.043 0.000 2.077 186 E HA -0.152 4.199 4.350 0.003 0.000 0.193 186 E C 1.993 178.609 176.600 0.026 0.000 0.989 186 E CA 0.839 57.262 56.400 0.039 0.000 0.800 186 E CB -0.201 29.517 29.700 0.030 0.000 0.746 186 E HN 0.225 nan 8.360 nan 0.000 0.452 187 R N -0.489 120.020 120.500 0.016 0.000 2.285 187 R HA -0.033 4.309 4.340 0.003 0.000 0.213 187 R C 1.234 177.535 176.300 0.001 0.000 1.068 187 R CA 0.740 56.844 56.100 0.005 0.000 1.004 187 R CB 0.020 30.321 30.300 0.002 0.000 0.873 187 R HN 0.299 nan 8.270 nan 0.000 0.467 188 G N 1.036 109.842 108.800 0.010 0.000 2.141 188 G HA2 -0.205 3.757 3.960 0.003 0.000 0.231 188 G HA3 -0.205 3.757 3.960 0.003 0.000 0.231 188 G C -0.105 174.795 174.900 -0.001 0.000 0.984 188 G CA -0.173 44.933 45.100 0.010 0.000 0.660 188 G HN 0.235 nan 8.290 nan 0.000 0.525 189 E N -0.028 120.163 120.200 -0.015 0.000 2.312 189 E HA 0.375 4.727 4.350 0.003 0.000 0.259 189 E C 0.309 176.875 176.600 -0.055 0.000 1.122 189 E CA -0.657 55.715 56.400 -0.045 0.000 0.922 189 E CB 0.983 30.641 29.700 -0.070 0.000 1.109 189 E HN 0.323 nan 8.360 nan 0.000 0.442 190 K N 1.280 121.621 120.400 -0.098 0.000 2.276 190 K HA 0.188 4.509 4.320 0.003 0.000 0.283 190 K C -0.063 176.404 176.600 -0.223 0.000 1.044 190 K CA -0.400 55.824 56.287 -0.105 0.000 0.944 190 K CB 0.716 33.140 32.500 -0.126 0.000 1.012 190 K HN 0.332 nan 8.250 nan 0.000 0.472 191 V N 1.634 121.440 119.914 -0.180 0.000 2.953 191 V HA 0.394 4.516 4.120 0.003 0.000 0.304 191 V C -0.153 175.836 176.094 -0.176 0.000 1.073 191 V CA -0.681 61.464 62.300 -0.259 0.000 1.064 191 V CB 0.389 32.012 31.823 -0.334 0.000 1.047 191 V HN 0.551 nan 8.190 nan 0.000 0.478 192 F N 1.466 121.452 119.950 0.059 0.000 2.418 192 F HA 0.422 4.950 4.527 0.001 0.000 0.341 192 F C 1.512 177.503 175.800 0.319 0.000 1.120 192 F CA -0.266 57.848 58.000 0.191 0.000 1.232 192 F CB 1.080 40.246 39.000 0.277 0.000 1.175 192 F HN 0.532 nan 8.300 nan 0.000 0.569 193 K N 1.296 122.003 120.400 0.512 0.000 2.404 193 K HA 0.096 4.418 4.320 0.003 0.000 0.194 193 K C -0.700 176.169 176.600 0.449 0.000 1.023 193 K CA 0.155 56.734 56.287 0.487 0.000 1.094 193 K CB -0.270 32.448 32.500 0.362 0.000 0.841 193 K HN 0.771 nan 8.250 nan 0.000 0.523 194 N N -2.956 115.960 118.700 0.360 0.000 3.322 194 N HA 0.079 4.820 4.740 0.003 0.000 0.233 194 N C -2.995 172.397 175.510 -0.197 0.000 1.399 194 N CA -1.187 51.832 53.050 -0.052 0.000 0.894 194 N CB 1.174 39.679 38.487 0.029 0.000 1.440 194 N HN -0.396 nan 8.380 nan 0.000 0.503 195 P HA -0.078 nan 4.420 nan 0.000 0.222 195 P C 1.134 178.367 177.300 -0.112 0.000 1.147 195 P CA 0.981 63.915 63.100 -0.276 0.000 0.790 195 P CB 0.218 31.760 31.700 -0.263 0.000 0.780 196 R N 0.448 120.896 120.500 -0.087 0.000 2.064 196 R HA -0.089 4.252 4.340 0.003 0.000 0.228 196 R C 1.915 178.164 176.300 -0.085 0.000 1.144 196 R CA 2.152 58.218 56.100 -0.057 0.000 0.932 196 R CB -1.246 29.037 30.300 -0.029 0.000 0.833 196 R HN 0.145 nan 8.270 nan 0.000 0.429 197 N N -0.324 118.333 118.700 -0.072 0.000 2.104 197 N HA -0.179 4.563 4.740 0.003 0.000 0.190 197 N C 1.671 176.908 175.510 -0.454 0.000 1.024 197 N CA 1.123 54.110 53.050 -0.105 0.000 0.853 197 N CB -0.220 38.319 38.487 0.085 0.000 1.008 197 N HN 0.367 nan 8.380 nan 0.000 0.424 198 A N 0.964 123.370 122.820 -0.690 0.000 1.972 198 A HA 0.033 4.355 4.320 0.003 0.000 0.219 198 A C 2.272 179.557 177.584 -0.499 0.000 1.169 198 A CA 1.566 52.905 52.037 -1.163 0.000 0.635 198 A CB -0.580 18.141 19.000 -0.464 0.000 0.810 198 A HN 0.365 nan 8.150 nan 0.000 0.446 199 A N -0.302 122.370 122.820 -0.247 0.000 1.930 199 A HA 0.315 4.637 4.320 0.003 0.000 0.215 199 A C 2.445 179.957 177.584 -0.120 0.000 1.176 199 A CA 1.580 53.540 52.037 -0.129 0.000 0.632 199 A CB -0.852 18.110 19.000 -0.063 0.000 0.819 199 A HN 0.898 nan 8.150 nan 0.000 0.445 200 A N -0.089 122.648 122.820 -0.138 0.000 1.851 200 A HA 0.090 4.412 4.320 0.003 0.000 0.216 200 A C 2.445 179.975 177.584 -0.090 0.000 1.195 200 A CA 2.055 54.035 52.037 -0.096 0.000 0.622 200 A CB -1.531 17.424 19.000 -0.074 0.000 0.831 200 A HN 0.718 nan 8.150 nan 0.000 0.444 201 G N -0.927 107.814 108.800 -0.098 0.000 2.446 201 G HA2 -0.161 3.801 3.960 0.003 0.000 0.217 201 G HA3 -0.161 3.801 3.960 0.003 0.000 0.217 201 G C 1.747 176.659 174.900 0.020 0.000 1.168 201 G CA 1.291 46.402 45.100 0.018 0.000 0.771 201 G HN 0.487 nan 8.290 nan 0.000 0.551 202 S N -0.154 115.532 115.700 -0.022 0.000 2.500 202 S HA -0.023 4.448 4.470 0.003 0.000 0.239 202 S C 1.866 176.479 174.600 0.021 0.000 0.989 202 S CA 0.744 58.956 58.200 0.019 0.000 0.951 202 S CB -0.025 63.173 63.200 -0.004 0.000 0.759 202 S HN 0.247 nan 8.310 nan 0.000 0.523 203 L N 0.358 121.575 121.223 -0.010 0.000 2.575 203 L HA 0.370 4.712 4.340 0.003 0.000 0.228 203 L C 1.286 178.134 176.870 -0.037 0.000 1.075 203 L CA 0.613 55.453 54.840 -0.000 0.000 0.867 203 L CB 0.116 42.168 42.059 -0.011 0.000 1.097 203 L HN -0.078 nan 8.230 nan 0.000 0.485 204 R N 0.428 120.860 120.500 -0.112 0.000 4.031 204 R HA 0.183 4.525 4.340 0.003 0.000 0.269 204 R C -0.582 175.674 176.300 -0.075 0.000 1.668 204 R CA -0.103 55.801 56.100 -0.326 0.000 1.432 204 R CB -0.181 29.924 30.300 -0.326 0.000 1.374 204 R HN 0.199 nan 8.270 nan 0.000 0.681 205 Q N 0.551 120.433 119.800 0.138 0.000 2.293 205 Q HA 0.156 4.497 4.340 0.003 0.000 0.261 205 Q C 0.260 176.491 176.000 0.384 0.000 0.960 205 Q CA -0.287 55.656 55.803 0.234 0.000 0.882 205 Q CB 2.038 30.869 28.738 0.154 0.000 1.275 205 Q HN 0.179 nan 8.270 nan 0.000 0.445 206 K N 0.661 121.242 120.400 0.301 0.000 2.002 206 K HA -0.128 4.194 4.320 0.003 0.000 0.209 206 K C 0.311 176.964 176.600 0.089 0.000 1.048 206 K CA 1.094 57.471 56.287 0.150 0.000 0.930 206 K CB 0.159 32.706 32.500 0.078 0.000 0.714 206 K HN 0.436 nan 8.250 nan 0.000 0.438 207 D N 1.370 121.829 120.400 0.098 0.000 2.365 207 D HA 0.045 4.687 4.640 0.003 0.000 0.237 207 D C -1.688 174.676 176.300 0.107 0.000 1.190 207 D CA -2.451 51.597 54.000 0.081 0.000 0.867 207 D CB 1.186 42.031 40.800 0.075 0.000 1.050 207 D HN -0.064 nan 8.370 nan 0.000 0.491 208 P HA -0.178 nan 4.420 nan 0.000 0.223 208 P C 1.298 178.684 177.300 0.144 0.000 1.144 208 P CA 0.564 63.740 63.100 0.127 0.000 0.783 208 P CB 0.327 32.101 31.700 0.124 0.000 0.771 209 R N 0.344 120.928 120.500 0.139 0.000 2.092 209 R HA -0.060 4.282 4.340 0.003 0.000 0.231 209 R C 2.021 178.391 176.300 0.117 0.000 1.119 209 R CA 1.065 57.249 56.100 0.140 0.000 0.970 209 R CB -0.554 29.822 30.300 0.126 0.000 0.864 209 R HN -0.005 nan 8.270 nan 0.000 0.440 210 V N 0.326 120.304 119.914 0.106 0.000 2.343 210 V HA -0.228 3.894 4.120 0.003 0.000 0.247 210 V C 2.129 178.280 176.094 0.096 0.000 1.051 210 V CA 2.303 64.660 62.300 0.096 0.000 1.036 210 V CB -0.630 31.251 31.823 0.097 0.000 0.654 210 V HN 0.431 nan 8.190 nan 0.000 0.451 211 T N 0.433 115.048 114.554 0.101 0.000 2.803 211 T HA -0.169 4.183 4.350 0.003 0.000 0.269 211 T C 2.008 176.759 174.700 0.085 0.000 1.052 211 T CA 1.563 63.715 62.100 0.088 0.000 1.136 211 T CB -0.372 68.550 68.868 0.090 0.000 0.864 211 T HN 0.587 nan 8.240 nan 0.000 0.467 212 A N 2.291 125.176 122.820 0.108 0.000 1.930 212 A HA -0.089 4.233 4.320 0.003 0.000 0.217 212 A C 2.182 179.821 177.584 0.093 0.000 1.175 212 A CA 1.675 53.784 52.037 0.119 0.000 0.627 212 A CB -0.441 18.663 19.000 0.174 0.000 0.815 212 A HN 0.673 nan 8.150 nan 0.000 0.443 213 K N -0.777 119.673 120.400 0.084 0.000 2.365 213 K HA -0.028 4.294 4.320 0.003 0.000 0.199 213 K C 0.486 177.122 176.600 0.061 0.000 1.045 213 K CA 0.107 56.436 56.287 0.069 0.000 0.962 213 K CB -0.015 32.524 32.500 0.066 0.000 0.759 213 K HN 0.198 nan 8.250 nan 0.000 0.469 214 R N 0.631 121.167 120.500 0.060 0.000 2.637 214 R HA 0.108 4.450 4.340 0.003 0.000 0.269 214 R C 1.533 177.854 176.300 0.034 0.000 1.089 214 R CA 0.418 56.548 56.100 0.051 0.000 1.177 214 R CB 0.367 30.696 30.300 0.049 0.000 1.091 214 R HN 0.263 nan 8.270 nan 0.000 0.540 215 G N 0.944 109.758 108.800 0.023 0.000 2.453 215 G HA2 -0.168 3.794 3.960 0.003 0.000 0.215 215 G HA3 -0.168 3.794 3.960 0.003 0.000 0.215 215 G C 0.065 174.936 174.900 -0.049 0.000 1.201 215 G CA 0.105 45.204 45.100 -0.002 0.000 0.784 215 G HN 0.398 nan 8.290 nan 0.000 0.545 216 L N 0.148 121.319 121.223 -0.086 0.000 4.316 216 L HA -0.180 4.162 4.340 0.003 0.000 0.563 216 L C 0.593 177.344 176.870 -0.198 0.000 1.002 216 L CA 0.940 55.695 54.840 -0.142 0.000 0.786 216 L CB -0.535 41.487 42.059 -0.062 0.000 0.563 216 L HN 0.462 nan 8.230 nan 0.000 1.017 217 R N 1.844 122.095 120.500 -0.415 0.000 2.912 217 R HA 0.967 5.309 4.340 0.003 0.000 0.262 217 R C -0.651 175.460 176.300 -0.315 0.000 1.057 217 R CA -0.619 55.248 56.100 -0.388 0.000 0.981 217 R CB 1.919 31.886 30.300 -0.555 0.000 1.201 217 R HN 0.645 nan 8.270 nan 0.000 0.484 218 A N 0.448 123.222 122.820 -0.077 0.000 2.486 218 A HA 0.601 4.923 4.320 0.003 0.000 0.300 218 A C -1.091 176.414 177.584 -0.132 0.000 1.048 218 A CA -0.535 51.446 52.037 -0.092 0.000 0.696 218 A CB 2.265 21.197 19.000 -0.114 0.000 1.278 218 A HN 0.480 nan 8.150 nan 0.000 0.405 219 T N 1.033 115.348 114.554 -0.397 0.000 2.893 219 T HA 0.745 5.097 4.350 0.003 0.000 0.291 219 T C -1.632 172.560 174.700 -0.846 0.000 1.028 219 T CA -0.210 61.679 62.100 -0.352 0.000 0.995 219 T CB 0.286 69.045 68.868 -0.182 0.000 1.051 219 T HN 0.377 nan 8.240 nan 0.000 0.470 220 F N 4.178 124.094 119.950 -0.057 0.000 2.529 220 F HA 0.445 4.973 4.527 0.002 0.000 0.320 220 F C 0.309 176.041 175.800 -0.114 0.000 1.118 220 F CA -0.774 57.074 58.000 -0.254 0.000 0.915 220 F CB 1.446 40.319 39.000 -0.211 0.000 1.161 220 F HN 0.744 nan 8.300 nan 0.000 0.445 221 Y N 0.451 120.818 120.300 0.112 0.000 2.701 221 Y HA 0.780 5.332 4.550 0.002 0.000 0.275 221 Y C 0.490 176.442 175.900 0.086 0.000 1.133 221 Y CA -0.242 57.920 58.100 0.103 0.000 1.241 221 Y CB -0.052 38.456 38.460 0.081 0.000 1.389 221 Y HN 0.425 nan 8.280 nan 0.000 0.486 222 A N 1.725 124.775 122.820 0.383 0.000 2.330 222 A HA 0.744 5.066 4.320 0.003 0.000 0.329 222 A C -0.852 176.804 177.584 0.120 0.000 1.135 222 A CA -0.810 51.418 52.037 0.320 0.000 0.817 222 A CB 1.156 20.437 19.000 0.468 0.000 1.269 222 A HN 0.319 nan 8.150 nan 0.000 0.469 223 L N -0.162 121.126 121.223 0.109 0.000 2.491 223 L HA 0.808 5.150 4.340 0.003 0.000 0.264 223 L C 1.099 178.026 176.870 0.094 0.000 1.053 223 L CA -0.123 54.735 54.840 0.031 0.000 0.858 223 L CB 1.636 43.663 42.059 -0.053 0.000 1.519 223 L HN 0.929 nan 8.230 nan 0.000 0.508 224 G N -0.936 107.906 108.800 0.071 0.000 3.319 224 G HA2 0.192 4.154 3.960 0.003 0.000 0.158 224 G HA3 0.192 4.154 3.960 0.003 0.000 0.158 224 G C -1.089 173.858 174.900 0.079 0.000 1.205 224 G CA -0.510 44.649 45.100 0.099 0.000 1.252 224 G HN 0.164 nan 8.290 nan 0.000 0.668 225 L N 2.523 123.805 121.223 0.097 0.000 2.745 225 L HA 0.347 4.689 4.340 0.003 0.000 0.273 225 L C 1.555 178.478 176.870 0.088 0.000 1.156 225 L CA 2.419 57.321 54.840 0.103 0.000 0.982 225 L CB -0.225 41.925 42.059 0.152 0.000 1.295 225 L HN 1.428 nan 8.230 nan 0.000 0.483 226 G N 3.996 112.821 108.800 0.041 0.000 2.480 226 G HA2 -0.205 3.757 3.960 0.003 0.000 0.193 226 G HA3 -0.205 3.757 3.960 0.003 0.000 0.193 226 G C -0.026 174.824 174.900 -0.084 0.000 1.004 226 G CA -0.129 44.972 45.100 0.003 0.000 0.696 226 G HN 0.468 nan 8.290 nan 0.000 0.478 227 L N 2.961 124.134 121.223 -0.084 0.000 2.500 227 L HA 0.544 4.886 4.340 0.003 0.000 0.272 227 L C 1.724 178.510 176.870 -0.139 0.000 1.149 227 L CA 1.785 56.535 54.840 -0.149 0.000 0.897 227 L CB 0.307 42.320 42.059 -0.076 0.000 1.178 227 L HN 1.481 nan 8.230 nan 0.000 0.473 228 G N 4.427 113.106 108.800 -0.203 0.000 3.282 228 G HA2 -0.449 3.512 3.960 0.003 0.000 0.367 228 G HA3 -0.449 3.512 3.960 0.003 0.000 0.367 228 G C 1.163 176.005 174.900 -0.097 0.000 1.377 228 G CA 0.920 45.923 45.100 -0.162 0.000 1.254 228 G HN 0.700 nan 8.290 nan 0.000 0.717 229 L N 0.869 122.050 121.223 -0.070 0.000 2.386 229 L HA -0.161 4.181 4.340 0.003 0.000 0.220 229 L C 2.655 179.513 176.870 -0.020 0.000 1.115 229 L CA 2.046 56.865 54.840 -0.035 0.000 0.780 229 L CB -0.386 41.664 42.059 -0.015 0.000 0.902 229 L HN 0.498 nan 8.230 nan 0.000 0.442 230 E N -0.742 119.443 120.200 -0.025 0.000 2.083 230 E HA -0.012 4.340 4.350 0.003 0.000 0.193 230 E C 1.532 178.128 176.600 -0.008 0.000 0.950 230 E CA 0.815 57.212 56.400 -0.004 0.000 0.849 230 E CB 0.314 30.021 29.700 0.011 0.000 0.827 230 E HN 0.325 nan 8.360 nan 0.000 0.465 231 E N -1.295 118.889 120.200 -0.026 0.000 2.552 231 E HA 0.087 4.439 4.350 0.003 0.000 0.189 231 E C -0.587 175.988 176.600 -0.042 0.000 0.970 231 E CA 0.226 56.616 56.400 -0.016 0.000 1.571 231 E CB 0.758 30.470 29.700 0.019 0.000 2.223 231 E HN 0.091 nan 8.360 nan 0.000 1.018 232 S N 0.039 115.672 115.700 -0.112 0.000 2.549 232 S HA 0.305 4.777 4.470 0.003 0.000 0.279 232 S C 0.993 175.467 174.600 -0.210 0.000 1.321 232 S CA 0.016 58.085 58.200 -0.218 0.000 1.054 232 S CB 1.337 64.221 63.200 -0.527 0.000 0.899 232 S HN 0.215 nan 8.310 nan 0.000 0.497 233 G N 3.207 111.906 108.800 -0.169 0.000 3.424 233 G HA2 0.282 4.244 3.960 0.003 0.000 0.263 233 G HA3 0.282 4.244 3.960 0.003 0.000 0.263 233 G C 0.139 174.927 174.900 -0.187 0.000 1.310 233 G CA -0.581 44.438 45.100 -0.135 0.000 1.089 233 G HN 0.729 nan 8.290 nan 0.000 0.534 234 L N 0.626 121.669 121.223 -0.301 0.000 2.360 234 L HA 0.255 4.597 4.340 0.003 0.000 0.276 234 L C 1.466 178.175 176.870 -0.269 0.000 1.121 234 L CA -0.199 54.449 54.840 -0.321 0.000 0.845 234 L CB 1.217 42.989 42.059 -0.479 0.000 1.143 234 L HN 0.377 nan 8.230 nan 0.000 0.452 235 K N 0.361 120.628 120.400 -0.222 0.000 2.424 235 K HA 0.157 4.479 4.320 0.003 0.000 0.198 235 K C 0.692 177.140 176.600 -0.254 0.000 1.190 235 K CA -0.200 55.954 56.287 -0.223 0.000 0.935 235 K CB 0.727 33.138 32.500 -0.150 0.000 1.087 235 K HN 0.387 nan 8.250 nan 0.000 0.524 236 S N 0.367 115.955 115.700 -0.188 0.000 2.537 236 S HA 0.134 4.606 4.470 0.003 0.000 0.301 236 S C 0.515 175.033 174.600 -0.136 0.000 1.092 236 S CA -0.657 57.457 58.200 -0.142 0.000 1.048 236 S CB 1.844 65.030 63.200 -0.022 0.000 1.053 236 S HN 0.193 nan 8.310 nan 0.000 0.501 237 Q N 2.343 122.080 119.800 -0.105 0.000 2.124 237 Q HA -0.113 4.229 4.340 0.003 0.000 0.202 237 Q C 1.324 177.343 176.000 0.031 0.000 0.977 237 Q CA 1.794 57.581 55.803 -0.028 0.000 0.850 237 Q CB -0.449 28.377 28.738 0.146 0.000 0.901 237 Q HN 0.941 nan 8.270 nan 0.000 0.429 238 Y N 1.229 121.521 120.300 -0.014 0.000 2.242 238 Y HA -0.158 4.394 4.550 0.003 0.000 0.291 238 Y C 1.963 177.873 175.900 0.016 0.000 1.137 238 Y CA 1.379 59.490 58.100 0.018 0.000 1.181 238 Y CB 0.350 38.866 38.460 0.093 0.000 0.989 238 Y HN 0.085 nan 8.280 nan 0.000 0.527 239 E N 0.221 120.525 120.200 0.174 0.000 2.106 239 E HA -0.195 4.157 4.350 0.003 0.000 0.192 239 E C 2.156 178.794 176.600 0.063 0.000 0.984 239 E CA 0.948 57.422 56.400 0.124 0.000 0.806 239 E CB -0.684 29.061 29.700 0.075 0.000 0.750 239 E HN 0.498 nan 8.360 nan 0.000 0.458 240 L N 0.807 122.018 121.223 -0.020 0.000 1.989 240 L HA -0.183 4.159 4.340 0.003 0.000 0.211 240 L C 2.290 179.191 176.870 0.053 0.000 1.071 240 L CA 1.456 56.286 54.840 -0.017 0.000 0.749 240 L CB -0.440 41.569 42.059 -0.084 0.000 0.890 240 L HN 0.066 nan 8.230 nan 0.000 0.431 241 L N -1.346 119.805 121.223 -0.120 0.000 2.083 241 L HA -0.242 4.099 4.340 0.003 0.000 0.209 241 L C 2.482 179.306 176.870 -0.077 0.000 1.083 241 L CA 1.210 55.912 54.840 -0.230 0.000 0.752 241 L CB -0.673 40.874 42.059 -0.853 0.000 0.899 241 L HN 0.317 nan 8.230 nan 0.000 0.433 242 L N -1.786 119.412 121.223 -0.042 0.000 2.072 242 L HA -0.187 4.155 4.340 0.003 0.000 0.205 242 L C 2.471 179.418 176.870 0.127 0.000 1.079 242 L CA 1.199 56.078 54.840 0.066 0.000 0.752 242 L CB -0.523 41.587 42.059 0.086 0.000 0.906 242 L HN 0.366 nan 8.230 nan 0.000 0.436 243 W N 0.982 122.268 121.300 -0.023 0.000 2.333 243 W HA -0.252 4.409 4.660 0.002 0.000 0.316 243 W C 2.336 178.860 176.519 0.008 0.000 1.215 243 W CA 1.634 58.972 57.345 -0.012 0.000 1.278 243 W CB -0.276 29.163 29.460 -0.036 0.000 1.154 243 W HN -0.051 nan 8.180 nan 0.000 0.486 244 L N 0.691 122.093 121.223 0.297 0.000 2.043 244 L HA -0.312 4.030 4.340 0.003 0.000 0.212 244 L C 2.652 179.598 176.870 0.128 0.000 1.075 244 L CA 2.182 57.121 54.840 0.166 0.000 0.752 244 L CB -0.963 41.184 42.059 0.146 0.000 0.891 244 L HN 0.052 nan 8.230 nan 0.000 0.432 245 K N 0.310 120.770 120.400 0.100 0.000 2.026 245 K HA -0.268 4.054 4.320 0.003 0.000 0.208 245 K C 2.063 178.656 176.600 -0.012 0.000 1.048 245 K CA 1.839 58.174 56.287 0.080 0.000 0.929 245 K CB -0.119 32.435 32.500 0.091 0.000 0.713 245 K HN 0.266 nan 8.250 nan 0.000 0.439 246 E N 0.438 120.596 120.200 -0.070 0.000 2.118 246 E HA -0.197 4.155 4.350 0.003 0.000 0.195 246 E C 0.980 177.446 176.600 -0.224 0.000 0.992 246 E CA 1.153 57.470 56.400 -0.138 0.000 0.804 246 E CB 0.183 29.786 29.700 -0.161 0.000 0.741 246 E HN 0.121 nan 8.360 nan 0.000 0.458 247 K N -0.562 119.644 120.400 -0.323 0.000 2.551 247 K HA 0.028 4.349 4.320 0.003 0.000 0.192 247 K C 1.057 177.430 176.600 -0.378 0.000 1.027 247 K CA 0.795 56.855 56.287 -0.378 0.000 1.059 247 K CB 0.393 32.592 32.500 -0.502 0.000 0.831 247 K HN 0.388 nan 8.250 nan 0.000 0.508 248 G N 0.961 109.596 108.800 -0.274 0.000 2.175 248 G HA2 -0.255 3.707 3.960 0.003 0.000 0.244 248 G HA3 -0.255 3.707 3.960 0.003 0.000 0.244 248 G C -0.065 174.618 174.900 -0.361 0.000 0.982 248 G CA -0.426 44.485 45.100 -0.315 0.000 0.641 248 G HN 0.223 nan 8.290 nan 0.000 0.527 249 F N 2.491 122.333 119.950 -0.179 0.000 2.412 249 F HA 0.469 4.998 4.527 0.003 0.000 0.348 249 F C -1.356 174.485 175.800 0.068 0.000 1.102 249 F CA -2.006 55.924 58.000 -0.117 0.000 1.196 249 F CB 1.175 40.059 39.000 -0.194 0.000 1.144 249 F HN -0.121 nan 8.300 nan 0.000 0.541 250 P HA 0.084 nan 4.420 nan 0.000 0.284 250 P C -0.741 176.751 177.300 0.320 0.000 1.343 250 P CA 0.015 63.291 63.100 0.293 0.000 0.826 250 P CB 1.565 33.414 31.700 0.247 0.000 0.956 251 V N 4.442 124.520 119.914 0.273 0.000 2.259 251 V HA 0.166 4.288 4.120 0.003 0.000 0.267 251 V C 0.925 177.184 176.094 0.274 0.000 1.051 251 V CA -0.009 62.472 62.300 0.301 0.000 0.830 251 V CB 0.286 32.266 31.823 0.261 0.000 1.080 251 V HN 0.381 nan 8.190 nan 0.000 0.467 252 E N 3.775 124.158 120.200 0.305 0.000 2.307 252 E HA 0.087 4.438 4.350 0.003 0.000 0.195 252 E C 0.435 177.215 176.600 0.300 0.000 0.975 252 E CA 0.022 56.584 56.400 0.270 0.000 0.878 252 E CB 0.107 29.976 29.700 0.281 0.000 0.845 252 E HN 0.940 nan 8.360 nan 0.000 0.488 253 H N 0.961 120.093 119.070 0.103 0.000 2.771 253 H HA 0.082 4.641 4.556 0.004 0.000 0.364 253 H C 0.245 175.759 175.328 0.310 0.000 1.133 253 H CA -0.834 55.318 56.048 0.174 0.000 1.423 253 H CB -0.231 29.511 29.762 -0.033 0.000 1.425 253 H HN 0.092 nan 8.280 nan 0.000 0.606 254 C N 3.452 122.930 119.300 0.297 0.000 2.605 254 C HA 0.637 5.098 4.460 0.003 0.000 0.404 254 C C -0.270 174.787 174.990 0.111 0.000 1.284 254 C CA -0.819 58.281 59.018 0.137 0.000 2.199 254 C CB -1.752 26.122 27.740 0.223 0.000 2.647 254 C HN 0.880 nan 8.230 nan 0.000 0.604 255 Y N -0.251 120.017 120.300 -0.053 0.000 2.581 255 Y HA 0.816 5.368 4.550 0.003 0.000 0.337 255 Y C -0.933 175.008 175.900 0.068 0.000 1.108 255 Y CA -0.978 57.105 58.100 -0.027 0.000 1.033 255 Y CB 1.020 39.421 38.460 -0.098 0.000 1.318 255 Y HN 0.943 nan 8.280 nan 0.000 0.459 256 E N 1.128 121.500 120.200 0.287 0.000 2.388 256 E HA 0.388 4.740 4.350 0.003 0.000 0.281 256 E C -1.859 174.913 176.600 0.285 0.000 1.046 256 E CA -1.368 55.202 56.400 0.283 0.000 0.825 256 E CB 1.906 31.676 29.700 0.116 0.000 1.243 256 E HN 0.667 nan 8.360 nan 0.000 0.438 257 K N 0.427 120.969 120.400 0.238 0.000 2.276 257 K HA 0.606 4.928 4.320 0.003 0.000 0.259 257 K C -0.647 176.036 176.600 0.138 0.000 1.001 257 K CA 0.179 56.562 56.287 0.161 0.000 0.927 257 K CB 1.049 33.559 32.500 0.017 0.000 0.969 257 K HN 0.595 nan 8.250 nan 0.000 0.490 258 A N 1.870 124.787 122.820 0.163 0.000 2.532 258 A HA 0.359 4.681 4.320 0.003 0.000 0.296 258 A C -1.932 175.774 177.584 0.203 0.000 1.058 258 A CA -0.772 51.368 52.037 0.172 0.000 0.729 258 A CB 0.968 20.086 19.000 0.196 0.000 1.285 258 A HN 0.493 nan 8.150 nan 0.000 0.396 259 L N 2.496 123.807 121.223 0.148 0.000 2.264 259 L HA 0.722 5.064 4.340 0.003 0.000 0.289 259 L C 0.747 177.722 176.870 0.175 0.000 1.044 259 L CA 1.644 56.556 54.840 0.119 0.000 0.807 259 L CB 0.901 42.995 42.059 0.059 0.000 1.192 259 L HN 2.341 nan 8.230 nan 0.000 0.425 260 G N 3.397 112.323 108.800 0.210 0.000 2.881 260 G HA2 -0.042 3.920 3.960 0.003 0.000 0.681 260 G HA3 -0.042 3.920 3.960 0.003 0.000 0.681 260 G C 0.733 175.835 174.900 0.336 0.000 1.567 260 G CA -0.038 45.223 45.100 0.269 0.000 1.013 260 G HN 1.503 nan 8.290 nan 0.000 0.580 261 A N 0.498 123.498 122.820 0.300 0.000 1.958 261 A HA -0.110 4.212 4.320 0.003 0.000 0.221 261 A C 2.181 179.994 177.584 0.380 0.000 1.178 261 A CA 2.654 54.819 52.037 0.214 0.000 0.642 261 A CB -0.484 18.526 19.000 0.017 0.000 0.816 261 A HN 1.011 nan 8.150 nan 0.000 0.453 262 E N -0.495 119.920 120.200 0.358 0.000 2.038 262 E HA -0.070 4.281 4.350 0.003 0.000 0.195 262 E C 2.175 178.896 176.600 0.202 0.000 1.000 262 E CA 1.380 57.952 56.400 0.287 0.000 0.803 262 E CB -0.751 29.054 29.700 0.176 0.000 0.750 262 E HN 0.546 nan 8.360 nan 0.000 0.448 263 G N 0.284 109.194 108.800 0.185 0.000 2.422 263 G HA2 -0.201 3.761 3.960 0.003 0.000 0.218 263 G HA3 -0.201 3.761 3.960 0.003 0.000 0.218 263 G C 1.724 176.732 174.900 0.179 0.000 1.140 263 G CA 0.715 45.908 45.100 0.156 0.000 0.775 263 G HN 0.152 nan 8.290 nan 0.000 0.545 264 V N 0.884 120.929 119.914 0.217 0.000 2.295 264 V HA -0.173 3.949 4.120 0.003 0.000 0.246 264 V C 2.659 178.898 176.094 0.240 0.000 1.049 264 V CA 2.329 64.744 62.300 0.192 0.000 1.024 264 V CB -0.294 31.591 31.823 0.102 0.000 0.648 264 V HN 0.528 nan 8.190 nan 0.000 0.447 265 E N 0.343 120.723 120.200 0.300 0.000 2.267 265 E HA -0.266 4.086 4.350 0.003 0.000 0.197 265 E C 2.125 178.864 176.600 0.231 0.000 0.998 265 E CA 1.729 58.329 56.400 0.333 0.000 0.830 265 E CB -0.242 29.639 29.700 0.301 0.000 0.751 265 E HN 0.704 nan 8.360 nan 0.000 0.491 266 E N -0.598 119.697 120.200 0.159 0.000 2.072 266 E HA -0.131 4.221 4.350 0.003 0.000 0.190 266 E C 1.876 178.534 176.600 0.097 0.000 0.982 266 E CA 1.371 57.831 56.400 0.101 0.000 0.803 266 E CB 0.126 29.871 29.700 0.076 0.000 0.755 266 E HN 0.247 nan 8.360 nan 0.000 0.453 267 V N 0.831 120.814 119.914 0.115 0.000 2.427 267 V HA -0.237 3.884 4.120 0.003 0.000 0.248 267 V C 2.137 178.278 176.094 0.077 0.000 1.051 267 V CA 1.927 64.274 62.300 0.079 0.000 1.048 267 V CB -0.860 31.012 31.823 0.082 0.000 0.666 267 V HN 0.404 nan 8.190 nan 0.000 0.456 268 Y N 1.550 121.850 120.300 0.001 0.000 2.053 268 Y HA -0.301 4.251 4.550 0.003 0.000 0.277 268 Y C 2.832 178.716 175.900 -0.025 0.000 1.159 268 Y CA 2.068 60.146 58.100 -0.037 0.000 1.125 268 Y CB -0.193 38.182 38.460 -0.142 0.000 0.969 268 Y HN 0.036 nan 8.280 nan 0.000 0.492 269 R N -0.140 120.335 120.500 -0.040 0.000 2.096 269 R HA -0.167 4.175 4.340 0.003 0.000 0.235 269 R C 2.486 178.673 176.300 -0.189 0.000 1.127 269 R CA 1.525 57.515 56.100 -0.184 0.000 0.968 269 R CB -0.408 29.882 30.300 -0.016 0.000 0.861 269 R HN 0.350 nan 8.270 nan 0.000 0.440 270 R N 0.189 120.632 120.500 -0.094 0.000 2.120 270 R HA -0.103 4.239 4.340 0.003 0.000 0.234 270 R C 2.199 178.440 176.300 -0.100 0.000 1.123 270 R CA 1.483 57.535 56.100 -0.079 0.000 0.975 270 R CB -0.308 29.972 30.300 -0.033 0.000 0.866 270 R HN 0.312 nan 8.270 nan 0.000 0.446 271 G N 0.593 109.327 108.800 -0.111 0.000 2.404 271 G HA2 -0.227 3.735 3.960 0.003 0.000 0.214 271 G HA3 -0.227 3.735 3.960 0.003 0.000 0.214 271 G C 1.187 175.976 174.900 -0.186 0.000 1.189 271 G CA 0.357 45.444 45.100 -0.020 0.000 0.789 271 G HN 0.294 nan 8.290 nan 0.000 0.533 272 L N 1.682 122.558 121.223 -0.579 0.000 2.189 272 L HA 0.020 4.362 4.340 0.003 0.000 0.214 272 L C 2.836 179.322 176.870 -0.640 0.000 1.097 272 L CA 1.868 56.063 54.840 -1.075 0.000 0.764 272 L CB -0.673 40.747 42.059 -1.065 0.000 0.900 272 L HN 0.248 nan 8.230 nan 0.000 0.436 273 A N -1.057 121.534 122.820 -0.383 0.000 1.873 273 A HA -0.191 4.131 4.320 0.003 0.000 0.215 273 A C 2.044 179.481 177.584 -0.244 0.000 1.186 273 A CA 1.470 53.347 52.037 -0.266 0.000 0.616 273 A CB -0.479 18.418 19.000 -0.171 0.000 0.823 273 A HN 0.639 nan 8.150 nan 0.000 0.442 274 Q N -0.846 118.839 119.800 -0.192 0.000 2.282 274 Q HA 0.103 4.445 4.340 0.003 0.000 0.205 274 Q C 1.595 177.481 176.000 -0.191 0.000 0.915 274 Q CA -0.164 55.553 55.803 -0.143 0.000 0.949 274 Q CB -0.022 28.680 28.738 -0.061 0.000 1.035 274 Q HN 0.634 nan 8.270 nan 0.000 0.484 275 R N 0.397 120.694 120.500 -0.338 0.000 2.185 275 R HA -0.187 4.155 4.340 0.003 0.000 0.247 275 R C 0.201 176.370 176.300 -0.218 0.000 1.159 275 R CA 1.432 57.296 56.100 -0.393 0.000 0.988 275 R CB 0.099 29.930 30.300 -0.782 0.000 0.871 275 R HN 0.491 nan 8.270 nan 0.000 0.458 276 H N -2.708 116.274 119.070 -0.146 0.000 2.637 276 H HA 0.314 4.872 4.556 0.003 0.000 0.245 276 H C 0.150 175.409 175.328 -0.116 0.000 1.190 276 H CA 0.004 55.982 56.048 -0.117 0.000 0.934 276 H CB 1.421 31.133 29.762 -0.085 0.000 1.950 276 H HN 0.230 nan 8.280 nan 0.000 0.614 277 A N 0.590 123.380 122.820 -0.050 0.000 2.419 277 A HA 0.256 4.578 4.320 0.003 0.000 0.233 277 A C 0.439 177.944 177.584 -0.131 0.000 1.217 277 A CA -0.219 51.776 52.037 -0.071 0.000 0.944 277 A CB 0.462 19.419 19.000 -0.071 0.000 1.025 277 A HN 0.176 nan 8.150 nan 0.000 0.524 278 L N 0.616 121.694 121.223 -0.241 0.000 2.418 278 L HA 0.265 4.606 4.340 0.003 0.000 0.265 278 L C -1.221 175.432 176.870 -0.363 0.000 1.143 278 L CA -1.668 52.906 54.840 -0.443 0.000 0.809 278 L CB 0.519 42.043 42.059 -0.891 0.000 1.124 278 L HN 0.080 nan 8.230 nan 0.000 0.456 279 P HA -0.021 nan 4.420 nan 0.000 0.242 279 P C -0.601 176.768 177.300 0.116 0.000 1.197 279 P CA 0.677 63.761 63.100 -0.026 0.000 0.765 279 P CB -0.191 31.578 31.700 0.114 0.000 0.936 280 F N -2.617 117.378 119.950 0.075 0.000 2.626 280 F HA 0.552 5.081 4.527 0.004 0.000 0.311 280 F C -0.210 175.584 175.800 -0.011 0.000 1.088 280 F CA -1.925 56.117 58.000 0.070 0.000 0.949 280 F CB 1.133 40.178 39.000 0.076 0.000 1.322 280 F HN -0.373 nan 8.300 nan 0.000 0.461 281 E N 1.821 122.161 120.200 0.232 0.000 2.081 281 E HA 0.431 4.782 4.350 0.003 0.000 0.270 281 E C -0.954 175.749 176.600 0.172 0.000 1.180 281 E CA -0.255 56.215 56.400 0.117 0.000 0.926 281 E CB 0.531 30.233 29.700 0.004 0.000 1.035 281 E HN 0.808 nan 8.360 nan 0.000 0.418 282 A N 4.602 127.505 122.820 0.138 0.000 2.256 282 A HA 0.213 4.535 4.320 0.003 0.000 0.317 282 A C -0.122 177.518 177.584 0.092 0.000 1.318 282 A CA -0.657 51.439 52.037 0.098 0.000 0.894 282 A CB 0.738 19.710 19.000 -0.047 0.000 1.165 282 A HN 0.696 nan 8.150 nan 0.000 0.525 283 D N 1.608 122.006 120.400 -0.004 0.000 2.370 283 D HA 0.432 5.074 4.640 0.003 0.000 0.230 283 D C 0.840 176.892 176.300 -0.413 0.000 1.143 283 D CA 1.585 55.569 54.000 -0.026 0.000 0.834 283 D CB 0.380 41.193 40.800 0.021 0.000 0.944 283 D HN 0.907 nan 8.370 nan 0.000 0.504 284 G N -1.119 107.123 108.800 -0.930 0.000 2.333 284 G HA2 0.330 4.292 3.960 0.003 0.000 0.288 284 G HA3 0.330 4.292 3.960 0.003 0.000 0.288 284 G C -1.367 173.086 174.900 -0.745 0.000 1.286 284 G CA -0.227 44.096 45.100 -1.295 0.000 0.865 284 G HN 0.301 nan 8.290 nan 0.000 0.506 285 V N -3.121 116.539 119.914 -0.423 0.000 3.158 285 V HA 0.945 5.067 4.120 0.003 0.000 0.311 285 V C -0.692 175.312 176.094 -0.149 0.000 1.181 285 V CA -1.159 61.028 62.300 -0.188 0.000 1.054 285 V CB 1.696 33.450 31.823 -0.115 0.000 1.085 285 V HN 1.215 nan 8.190 nan 0.000 0.446 286 V N 2.605 122.448 119.914 -0.118 0.000 2.462 286 V HA 0.441 4.562 4.120 0.003 0.000 0.288 286 V C -0.438 175.579 176.094 -0.128 0.000 1.020 286 V CA -0.323 61.881 62.300 -0.160 0.000 0.857 286 V CB 1.256 32.967 31.823 -0.187 0.000 1.013 286 V HN 0.954 nan 8.190 nan 0.000 0.431 287 L N 2.905 124.005 121.223 -0.204 0.000 2.264 287 L HA 0.749 5.091 4.340 0.003 0.000 0.289 287 L C -0.268 176.491 176.870 -0.184 0.000 1.044 287 L CA -0.113 54.606 54.840 -0.201 0.000 0.807 287 L CB 0.615 42.452 42.059 -0.370 0.000 1.192 287 L HN 0.396 nan 8.230 nan 0.000 0.425 288 K N 4.388 124.826 120.400 0.064 0.000 2.324 288 K HA 0.475 4.797 4.320 0.003 0.000 0.253 288 K C -0.912 176.036 176.600 0.580 0.000 0.932 288 K CA -0.873 55.561 56.287 0.245 0.000 0.799 288 K CB 2.865 35.546 32.500 0.303 0.000 1.154 288 K HN 0.631 nan 8.250 nan 0.000 0.425 289 L N 2.551 124.216 121.223 0.735 0.000 2.559 289 L HA -0.088 4.254 4.340 0.003 0.000 0.274 289 L C 0.923 178.186 176.870 0.655 0.000 1.205 289 L CA 0.587 55.884 54.840 0.761 0.000 0.907 289 L CB 0.400 42.862 42.059 0.672 0.000 1.153 289 L HN 0.753 nan 8.230 nan 0.000 0.490 290 D N 1.866 122.467 120.400 0.335 0.000 2.224 290 D HA -0.143 4.499 4.640 0.003 0.000 0.205 290 D C 0.296 176.577 176.300 -0.031 0.000 0.965 290 D CA 0.540 54.644 54.000 0.174 0.000 0.852 290 D CB 0.276 41.147 40.800 0.118 0.000 0.947 290 D HN 0.622 nan 8.370 nan 0.000 0.494 291 D N -0.091 120.282 120.400 -0.045 0.000 2.359 291 D HA 0.003 4.645 4.640 0.003 0.000 0.250 291 D C 0.943 176.966 176.300 -0.462 0.000 1.264 291 D CA -0.254 53.635 54.000 -0.184 0.000 0.911 291 D CB 0.457 41.199 40.800 -0.098 0.000 1.056 291 D HN -0.030 nan 8.370 nan 0.000 0.499 292 L N 3.156 123.938 121.223 -0.734 0.000 2.042 292 L HA -0.165 4.177 4.340 0.003 0.000 0.210 292 L C 2.734 179.209 176.870 -0.658 0.000 1.076 292 L CA 1.964 56.094 54.840 -1.184 0.000 0.749 292 L CB -1.464 40.078 42.059 -0.862 0.000 0.893 292 L HN 0.691 nan 8.230 nan 0.000 0.432 293 T N -3.331 111.005 114.554 -0.364 0.000 2.803 293 T HA -0.210 4.141 4.350 0.003 0.000 0.269 293 T C 1.776 176.405 174.700 -0.119 0.000 1.052 293 T CA 1.047 63.028 62.100 -0.198 0.000 1.136 293 T CB -0.457 68.323 68.868 -0.146 0.000 0.864 293 T HN 0.125 nan 8.240 nan 0.000 0.467 294 L N -0.744 120.422 121.223 -0.094 0.000 2.599 294 L HA 0.334 4.676 4.340 0.003 0.000 0.230 294 L C 1.498 178.433 176.870 0.109 0.000 1.141 294 L CA 0.306 55.155 54.840 0.015 0.000 0.877 294 L CB -0.777 41.308 42.059 0.043 0.000 1.009 294 L HN 0.314 nan 8.230 nan 0.000 0.447 295 W N -0.549 120.566 121.300 -0.308 0.000 2.476 295 W HA 0.143 4.805 4.660 0.004 0.000 0.281 295 W C 2.343 178.613 176.519 -0.414 0.000 1.230 295 W CA 0.596 57.572 57.345 -0.615 0.000 1.287 295 W CB -1.324 27.559 29.460 -0.961 0.000 1.108 295 W HN 0.224 nan 8.180 nan 0.000 0.567 296 G N 0.550 109.343 108.800 -0.013 0.000 2.453 296 G HA2 -0.274 3.688 3.960 0.003 0.000 0.215 296 G HA3 -0.274 3.688 3.960 0.003 0.000 0.215 296 G C 1.313 176.214 174.900 0.000 0.000 1.201 296 G CA 1.350 46.449 45.100 -0.003 0.000 0.784 296 G HN 0.207 nan 8.290 nan 0.000 0.545 297 E N 0.144 120.341 120.200 -0.004 0.000 2.070 297 E HA -0.033 4.318 4.350 0.003 0.000 0.197 297 E C 1.019 177.617 176.600 -0.003 0.000 1.004 297 E CA 0.327 56.726 56.400 -0.001 0.000 0.805 297 E CB -0.303 29.393 29.700 -0.006 0.000 0.744 297 E HN 0.336 nan 8.360 nan 0.000 0.451 298 L N 1.115 122.334 121.223 -0.006 0.000 2.433 298 L HA 0.192 4.533 4.340 0.003 0.000 0.275 298 L C 1.018 177.865 176.870 -0.038 0.000 1.128 298 L CA -0.517 54.318 54.840 -0.008 0.000 0.875 298 L CB 0.658 42.742 42.059 0.042 0.000 1.171 298 L HN 0.114 nan 8.230 nan 0.000 0.463 299 G N 2.456 111.233 108.800 -0.039 0.000 2.546 299 G HA2 0.296 4.257 3.960 0.003 0.000 0.239 299 G HA3 0.296 4.257 3.960 0.003 0.000 0.239 299 G C -1.073 173.705 174.900 -0.203 0.000 1.476 299 G CA -0.195 44.886 45.100 -0.031 0.000 1.064 299 G HN 0.360 nan 8.290 nan 0.000 0.561 300 Y N -1.448 118.785 120.300 -0.111 0.000 2.598 300 Y HA 0.501 5.054 4.550 0.005 0.000 0.340 300 Y C 1.175 176.979 175.900 -0.159 0.000 1.038 300 Y CA -0.426 57.504 58.100 -0.285 0.000 1.100 300 Y CB 1.898 39.925 38.460 -0.721 0.000 1.281 300 Y HN 0.733 nan 8.280 nan 0.000 0.488 301 T N -2.115 112.445 114.554 0.010 0.000 2.994 301 T HA 0.480 4.832 4.350 0.003 0.000 0.322 301 T C 1.449 176.214 174.700 0.108 0.000 1.199 301 T CA 0.052 62.176 62.100 0.039 0.000 0.945 301 T CB 0.112 68.989 68.868 0.014 0.000 1.754 301 T HN 0.681 nan 8.240 nan 0.000 0.571 302 A N 0.238 123.118 122.820 0.100 0.000 1.930 302 A HA 0.120 4.441 4.320 0.003 0.000 0.217 302 A C 2.077 179.777 177.584 0.194 0.000 1.175 302 A CA 0.972 53.085 52.037 0.126 0.000 0.627 302 A CB -0.532 18.513 19.000 0.076 0.000 0.815 302 A HN 0.731 nan 8.150 nan 0.000 0.443 303 R N -1.790 118.817 120.500 0.179 0.000 2.617 303 R HA 0.529 4.871 4.340 0.003 0.000 0.432 303 R C -0.869 175.566 176.300 0.224 0.000 1.018 303 R CA 0.561 56.798 56.100 0.229 0.000 1.077 303 R CB 1.044 31.413 30.300 0.115 0.000 1.394 303 R HN 0.468 nan 8.270 nan 0.000 0.608 304 A N 0.848 123.767 122.820 0.166 0.000 2.586 304 A HA 0.486 4.808 4.320 0.003 0.000 0.296 304 A C -3.009 174.489 177.584 -0.143 0.000 1.040 304 A CA -1.219 50.830 52.037 0.020 0.000 0.701 304 A CB 1.449 20.435 19.000 -0.023 0.000 1.277 304 A HN -0.062 nan 8.150 nan 0.000 0.413 305 P HA 0.446 nan 4.420 nan 0.000 0.277 305 P C -0.095 176.845 177.300 -0.600 0.000 1.271 305 P CA -0.159 62.490 63.100 -0.752 0.000 0.795 305 P CB 1.093 31.972 31.700 -1.370 0.000 1.101 306 R N -0.959 119.162 120.500 -0.632 0.000 2.287 306 R HA 0.191 4.533 4.340 0.003 0.000 0.197 306 R C 1.931 178.104 176.300 -0.212 0.000 0.900 306 R CA 0.619 56.546 56.100 -0.289 0.000 1.052 306 R CB -0.295 29.898 30.300 -0.178 0.000 1.117 306 R HN 0.468 nan 8.270 nan 0.000 0.568 307 F N -0.658 119.128 119.950 -0.273 0.000 2.780 307 F HA 0.474 5.002 4.527 0.003 0.000 0.299 307 F C 0.464 176.252 175.800 -0.021 0.000 1.146 307 F CA -0.708 57.173 58.000 -0.198 0.000 1.428 307 F CB 0.204 38.857 39.000 -0.579 0.000 1.115 307 F HN -0.204 nan 8.300 nan 0.000 0.583 308 A N 0.821 123.344 122.820 -0.495 0.000 2.498 308 A HA 0.805 5.127 4.320 0.003 0.000 0.298 308 A C -1.827 175.451 177.584 -0.509 0.000 1.075 308 A CA -0.768 51.023 52.037 -0.411 0.000 0.714 308 A CB 1.817 20.459 19.000 -0.597 0.000 1.299 308 A HN 0.323 nan 8.150 nan 0.000 0.407 309 L N 0.233 121.054 121.223 -0.669 0.000 2.469 309 L HA 0.853 5.195 4.340 0.003 0.000 0.256 309 L C -0.656 175.906 176.870 -0.514 0.000 1.006 309 L CA -0.061 54.329 54.840 -0.751 0.000 0.832 309 L CB 2.095 43.277 42.059 -1.461 0.000 1.421 309 L HN 1.270 nan 8.230 nan 0.000 0.410 310 A N 2.918 125.496 122.820 -0.404 0.000 2.277 310 A HA 0.382 4.704 4.320 0.003 0.000 0.318 310 A C -1.483 175.941 177.584 -0.266 0.000 1.339 310 A CA -0.294 51.563 52.037 -0.301 0.000 0.875 310 A CB -0.096 18.747 19.000 -0.261 0.000 1.158 310 A HN 0.723 nan 8.150 nan 0.000 0.514 311 Y N 3.939 124.014 120.300 -0.375 0.000 2.452 311 Y HA 0.231 4.783 4.550 0.003 0.000 0.348 311 Y C 0.079 175.793 175.900 -0.311 0.000 0.985 311 Y CA -0.596 57.288 58.100 -0.359 0.000 1.214 311 Y CB 0.511 38.779 38.460 -0.319 0.000 1.136 311 Y HN 0.499 nan 8.280 nan 0.000 0.523 312 K N 6.073 126.387 120.400 -0.144 0.000 2.130 312 K HA 0.219 4.540 4.320 0.003 0.000 0.268 312 K C -0.821 175.787 176.600 0.013 0.000 0.983 312 K CA -0.663 55.437 56.287 -0.311 0.000 0.893 312 K CB 1.304 33.406 32.500 -0.663 0.000 1.066 312 K HN 0.406 nan 8.250 nan 0.000 0.450 313 F N 3.080 123.051 119.950 0.035 0.000 2.496 313 F HA 0.117 4.646 4.527 0.004 0.000 0.344 313 F C -1.277 174.595 175.800 0.119 0.000 1.155 313 F CA -2.468 55.566 58.000 0.057 0.000 1.302 313 F CB -0.697 38.281 39.000 -0.037 0.000 1.159 313 F HN 0.335 nan 8.300 nan 0.000 0.595 314 P HA 0.114 nan 4.420 nan 0.000 0.265 314 P C -0.991 176.465 177.300 0.260 0.000 1.193 314 P CA -0.274 63.004 63.100 0.296 0.000 0.765 314 P CB 0.444 32.272 31.700 0.213 0.000 0.823 315 A N 3.010 125.992 122.820 0.269 0.000 2.444 315 A HA 0.085 4.406 4.320 0.003 0.000 0.287 315 A C 0.556 178.247 177.584 0.179 0.000 1.195 315 A CA -0.070 52.102 52.037 0.225 0.000 0.858 315 A CB -0.694 18.437 19.000 0.219 0.000 1.117 315 A HN 0.452 nan 8.150 nan 0.000 0.521 316 E N 2.547 122.852 120.200 0.175 0.000 1.892 316 E HA 0.240 4.591 4.350 0.003 0.000 0.271 316 E C -0.497 176.200 176.600 0.162 0.000 1.146 316 E CA 0.361 56.854 56.400 0.154 0.000 1.096 316 E CB -0.162 29.625 29.700 0.145 0.000 1.155 316 E HN 0.695 nan 8.360 nan 0.000 0.458 317 E N 2.017 122.308 120.200 0.151 0.000 2.256 317 E HA 0.476 4.828 4.350 0.003 0.000 0.268 317 E C -0.840 175.838 176.600 0.130 0.000 0.877 317 E CA -0.987 55.505 56.400 0.153 0.000 0.757 317 E CB 1.651 31.436 29.700 0.141 0.000 1.183 317 E HN -0.032 nan 8.360 nan 0.000 0.418 318 K N 1.320 121.799 120.400 0.131 0.000 2.477 318 K HA 0.333 4.655 4.320 0.003 0.000 0.255 318 K C -1.178 175.504 176.600 0.136 0.000 0.952 318 K CA -0.674 55.689 56.287 0.126 0.000 0.826 318 K CB 1.915 34.491 32.500 0.127 0.000 1.331 318 K HN 0.312 nan 8.250 nan 0.000 0.437 319 E N 0.603 120.898 120.200 0.158 0.000 2.231 319 E HA 0.562 4.914 4.350 0.003 0.000 0.277 319 E C -0.566 176.206 176.600 0.286 0.000 0.999 319 E CA -0.746 55.786 56.400 0.220 0.000 0.827 319 E CB 1.999 31.827 29.700 0.214 0.000 1.101 319 E HN 0.462 nan 8.360 nan 0.000 0.393 320 T N 0.884 115.610 114.554 0.287 0.000 2.749 320 T HA 0.282 4.634 4.350 0.003 0.000 0.310 320 T C -1.589 173.019 174.700 -0.153 0.000 1.496 320 T CA -0.803 61.352 62.100 0.092 0.000 1.006 320 T CB 1.474 70.337 68.868 -0.010 0.000 1.457 320 T HN 0.448 nan 8.240 nan 0.000 0.497 321 R N 1.625 121.783 120.500 -0.570 0.000 2.457 321 R HA 0.655 4.996 4.340 0.003 0.000 0.284 321 R C -0.607 175.492 176.300 -0.335 0.000 1.024 321 R CA -0.722 54.969 56.100 -0.681 0.000 1.025 321 R CB 0.839 30.504 30.300 -1.058 0.000 1.063 321 R HN 0.624 nan 8.270 nan 0.000 0.493 322 L N 6.306 127.383 121.223 -0.243 0.000 2.261 322 L HA 0.183 4.525 4.340 0.003 0.000 0.289 322 L C 0.404 177.172 176.870 -0.170 0.000 1.059 322 L CA -0.279 54.465 54.840 -0.159 0.000 0.816 322 L CB 0.765 42.767 42.059 -0.095 0.000 1.191 322 L HN 0.848 nan 8.230 nan 0.000 0.431 323 L N 3.385 124.508 121.223 -0.166 0.000 2.084 323 L HA 0.157 4.499 4.340 0.003 0.000 0.202 323 L C 0.328 177.126 176.870 -0.121 0.000 1.074 323 L CA 0.829 55.580 54.840 -0.147 0.000 0.757 323 L CB -0.069 41.907 42.059 -0.139 0.000 0.918 323 L HN 0.653 nan 8.230 nan 0.000 0.444 324 D N -2.293 118.029 120.400 -0.129 0.000 2.615 324 D HA 0.415 5.057 4.640 0.003 0.000 0.267 324 D C -1.573 174.620 176.300 -0.178 0.000 1.236 324 D CA -0.416 53.505 54.000 -0.131 0.000 0.839 324 D CB 2.611 43.341 40.800 -0.116 0.000 1.380 324 D HN -0.235 nan 8.370 nan 0.000 0.433 325 V N 2.262 122.041 119.914 -0.226 0.000 2.577 325 V HA 0.749 4.871 4.120 0.003 0.000 0.303 325 V C -0.953 174.841 176.094 -0.500 0.000 1.042 325 V CA -0.372 61.706 62.300 -0.370 0.000 0.872 325 V CB 1.325 32.900 31.823 -0.414 0.000 0.998 325 V HN 0.624 nan 8.190 nan 0.000 0.423 326 V N 4.096 123.696 119.914 -0.525 0.000 2.881 326 V HA 0.759 4.881 4.120 0.003 0.000 0.316 326 V C -0.838 174.828 176.094 -0.712 0.000 1.070 326 V CA -0.763 61.253 62.300 -0.473 0.000 0.976 326 V CB 1.810 33.494 31.823 -0.232 0.000 1.038 326 V HN 0.684 nan 8.190 nan 0.000 0.446 327 F N 1.164 120.985 119.950 -0.215 0.000 2.469 327 F HA 0.718 5.247 4.527 0.003 0.000 0.332 327 F C 0.444 176.166 175.800 -0.131 0.000 1.103 327 F CA -0.307 57.553 58.000 -0.232 0.000 0.979 327 F CB 1.934 40.744 39.000 -0.316 0.000 1.137 327 F HN 0.584 nan 8.300 nan 0.000 0.463 328 Q N 0.805 120.652 119.800 0.077 0.000 2.359 328 Q HA 0.722 5.064 4.340 0.003 0.000 0.275 328 Q C -1.536 174.520 176.000 0.093 0.000 1.082 328 Q CA -1.234 54.600 55.803 0.051 0.000 0.849 328 Q CB 3.215 31.953 28.738 0.001 0.000 1.377 328 Q HN 0.505 nan 8.270 nan 0.000 0.452 329 V N 1.062 121.019 119.914 0.070 0.000 2.443 329 V HA 0.678 4.800 4.120 0.003 0.000 0.293 329 V C -0.094 176.038 176.094 0.063 0.000 1.021 329 V CA -0.235 62.114 62.300 0.081 0.000 0.848 329 V CB 0.928 32.795 31.823 0.074 0.000 0.998 329 V HN 0.826 nan 8.190 nan 0.000 0.424 330 G N 5.683 114.526 108.800 0.071 0.000 2.683 330 G HA2 0.183 4.145 3.960 0.003 0.000 0.260 330 G HA3 0.183 4.145 3.960 0.003 0.000 0.260 330 G C 0.627 175.562 174.900 0.058 0.000 1.238 330 G CA 0.046 45.180 45.100 0.057 0.000 0.934 330 G HN 1.059 nan 8.290 nan 0.000 0.534 331 R N -1.502 119.034 120.500 0.061 0.000 2.189 331 R HA 0.021 4.363 4.340 0.003 0.000 0.223 331 R C 1.990 178.337 176.300 0.079 0.000 1.092 331 R CA 1.546 57.698 56.100 0.087 0.000 0.989 331 R CB -0.728 29.644 30.300 0.120 0.000 0.876 331 R HN 0.429 nan 8.270 nan 0.000 0.457 332 T N -1.432 113.157 114.554 0.057 0.000 3.107 332 T HA 0.276 4.628 4.350 0.003 0.000 0.249 332 T C 1.227 175.945 174.700 0.031 0.000 1.096 332 T CA 0.694 62.814 62.100 0.034 0.000 1.012 332 T CB -0.097 68.785 68.868 0.023 0.000 0.977 332 T HN 0.592 nan 8.240 nan 0.000 0.527 333 G N 1.497 110.324 108.800 0.045 0.000 2.232 333 G HA2 -0.217 3.745 3.960 0.003 0.000 0.226 333 G HA3 -0.217 3.745 3.960 0.003 0.000 0.226 333 G C 0.261 175.199 174.900 0.064 0.000 0.996 333 G CA 0.026 45.152 45.100 0.044 0.000 0.626 333 G HN 0.665 nan 8.290 nan 0.000 0.509 334 R N 1.129 121.673 120.500 0.074 0.000 2.446 334 R HA 0.390 4.732 4.340 0.003 0.000 0.314 334 R C 0.309 176.709 176.300 0.166 0.000 1.003 334 R CA -0.109 56.058 56.100 0.111 0.000 1.018 334 R CB 0.316 30.677 30.300 0.101 0.000 0.945 334 R HN 0.075 nan 8.270 nan 0.000 0.419 335 V N 5.698 125.757 119.914 0.242 0.000 2.403 335 V HA 0.012 4.134 4.120 0.003 0.000 0.265 335 V C 0.435 176.795 176.094 0.443 0.000 1.034 335 V CA 0.372 62.864 62.300 0.319 0.000 1.036 335 V CB 0.974 33.020 31.823 0.371 0.000 1.032 335 V HN 0.802 nan 8.190 nan 0.000 0.478 336 T N 9.357 124.082 114.554 0.285 0.000 2.889 336 T HA 0.361 4.713 4.350 0.003 0.000 0.291 336 T C -2.342 172.449 174.700 0.152 0.000 0.995 336 T CA -0.780 61.460 62.100 0.233 0.000 1.092 336 T CB 1.580 70.510 68.868 0.104 0.000 0.954 336 T HN 0.513 nan 8.240 nan 0.000 0.506 337 P HA 0.529 nan 4.420 nan 0.000 0.292 337 P C -1.433 175.686 177.300 -0.302 0.000 1.283 337 P CA -0.603 62.321 63.100 -0.293 0.000 0.835 337 P CB 1.302 32.889 31.700 -0.188 0.000 1.017 338 V N 2.651 122.298 119.914 -0.445 0.000 2.569 338 V HA 0.516 4.638 4.120 0.003 0.000 0.301 338 V C 0.640 176.539 176.094 -0.325 0.000 1.044 338 V CA -0.595 61.515 62.300 -0.317 0.000 0.874 338 V CB 1.895 33.566 31.823 -0.253 0.000 1.002 338 V HN 0.767 nan 8.190 nan 0.000 0.424 339 G N 3.096 111.750 108.800 -0.243 0.000 2.353 339 G HA2 0.506 4.468 3.960 0.003 0.000 0.284 339 G HA3 0.506 4.468 3.960 0.003 0.000 0.284 339 G C -0.535 174.259 174.900 -0.176 0.000 1.172 339 G CA -0.330 44.647 45.100 -0.205 0.000 0.854 339 G HN 0.566 nan 8.290 nan 0.000 0.485 340 V N 4.758 124.568 119.914 -0.173 0.000 2.304 340 V HA 0.215 4.337 4.120 0.003 0.000 0.262 340 V C 0.598 176.607 176.094 -0.141 0.000 1.061 340 V CA -0.323 61.887 62.300 -0.150 0.000 0.872 340 V CB 0.005 31.741 31.823 -0.144 0.000 1.077 340 V HN 0.503 nan 8.190 nan 0.000 0.480 341 L N 2.427 123.569 121.223 -0.134 0.000 2.454 341 L HA 0.515 4.857 4.340 0.003 0.000 0.256 341 L C 0.553 177.335 176.870 -0.146 0.000 1.136 341 L CA -0.699 54.058 54.840 -0.138 0.000 0.804 341 L CB 0.634 42.624 42.059 -0.116 0.000 1.181 341 L HN 0.459 nan 8.230 nan 0.000 0.469 342 E N 1.661 121.762 120.200 -0.164 0.000 2.290 342 E HA 0.173 4.525 4.350 0.003 0.000 0.277 342 E C -2.362 174.152 176.600 -0.143 0.000 1.035 342 E CA -1.782 54.524 56.400 -0.156 0.000 0.873 342 E CB 0.711 30.296 29.700 -0.192 0.000 1.029 342 E HN 0.122 nan 8.360 nan 0.000 0.419 343 P HA -0.127 nan 4.420 nan 0.000 0.255 343 P C -1.080 176.061 177.300 -0.264 0.000 1.161 343 P CA 0.358 63.327 63.100 -0.218 0.000 0.768 343 P CB 0.516 32.102 31.700 -0.190 0.000 0.746 344 V N 5.071 124.779 119.914 -0.342 0.000 3.141 344 V HA 0.585 4.707 4.120 0.003 0.000 0.312 344 V C -1.213 174.578 176.094 -0.505 0.000 1.157 344 V CA -0.890 61.245 62.300 -0.276 0.000 1.041 344 V CB 1.845 33.629 31.823 -0.065 0.000 1.071 344 V HN 0.188 nan 8.190 nan 0.000 0.441 345 F N 3.691 123.660 119.950 0.031 0.000 2.403 345 F HA 0.633 5.162 4.527 0.003 0.000 0.355 345 F C 0.008 175.831 175.800 0.038 0.000 1.119 345 F CA -0.307 57.710 58.000 0.029 0.000 1.007 345 F CB 1.316 40.331 39.000 0.026 0.000 1.194 345 F HN 0.113 nan 8.300 nan 0.000 0.443 346 I N 3.185 123.855 120.570 0.167 0.000 2.411 346 I HA 0.235 4.407 4.170 0.003 0.000 0.284 346 I C -0.022 176.172 176.117 0.129 0.000 1.012 346 I CA -0.501 60.877 61.300 0.129 0.000 1.119 346 I CB 1.434 39.482 38.000 0.080 0.000 1.261 346 I HN 0.676 nan 8.210 nan 0.000 0.448 347 E N 4.453 124.727 120.200 0.123 0.000 2.476 347 E HA -0.295 4.057 4.350 0.003 0.000 0.251 347 E C 1.138 177.795 176.600 0.094 0.000 1.130 347 E CA 0.620 57.076 56.400 0.092 0.000 0.736 347 E CB -0.975 28.780 29.700 0.091 0.000 1.298 347 E HN 1.220 nan 8.360 nan 0.000 0.400 348 G N -0.596 108.287 108.800 0.138 0.000 2.579 348 G HA2 -0.419 3.543 3.960 0.003 0.000 0.222 348 G HA3 -0.419 3.543 3.960 0.003 0.000 0.222 348 G C 0.336 175.383 174.900 0.244 0.000 1.201 348 G CA 0.400 45.585 45.100 0.142 0.000 0.710 348 G HN 1.023 nan 8.290 nan 0.000 0.516 349 S N 1.193 116.992 115.700 0.164 0.000 2.549 349 S HA 0.486 4.958 4.470 0.003 0.000 0.283 349 S C 0.067 174.722 174.600 0.092 0.000 1.320 349 S CA 0.438 58.710 58.200 0.121 0.000 1.058 349 S CB 1.947 65.179 63.200 0.053 0.000 0.882 349 S HN 0.699 nan 8.310 nan 0.000 0.498 350 E N 2.302 122.501 120.200 -0.001 0.000 2.259 350 E HA 0.326 4.678 4.350 0.003 0.000 0.281 350 E C -1.114 175.346 176.600 -0.234 0.000 1.037 350 E CA -0.641 55.564 56.400 -0.325 0.000 0.854 350 E CB 0.786 30.256 29.700 -0.384 0.000 1.051 350 E HN 0.568 nan 8.360 nan 0.000 0.409 351 V N 4.252 124.008 119.914 -0.265 0.000 2.427 351 V HA 0.151 4.272 4.120 0.003 0.000 0.286 351 V C 0.745 176.727 176.094 -0.186 0.000 1.034 351 V CA 0.107 62.304 62.300 -0.171 0.000 0.893 351 V CB 1.381 33.134 31.823 -0.116 0.000 0.982 351 V HN 0.859 nan 8.190 nan 0.000 0.452 352 S N 3.391 119.002 115.700 -0.148 0.000 2.612 352 S HA 0.341 4.813 4.470 0.003 0.000 0.278 352 S C 0.472 174.996 174.600 -0.125 0.000 1.082 352 S CA -0.495 57.620 58.200 -0.141 0.000 1.185 352 S CB 0.453 63.571 63.200 -0.137 0.000 1.077 352 S HN 0.569 nan 8.310 nan 0.000 0.585 353 R N 0.944 121.372 120.500 -0.120 0.000 2.483 353 R HA 0.737 5.079 4.340 0.003 0.000 0.303 353 R C -1.968 174.256 176.300 -0.126 0.000 0.987 353 R CA -0.236 55.789 56.100 -0.124 0.000 0.881 353 R CB 2.317 32.546 30.300 -0.118 0.000 1.177 353 R HN 0.199 nan 8.270 nan 0.000 0.451 354 V N 2.046 121.878 119.914 -0.136 0.000 2.769 354 V HA 0.371 4.493 4.120 0.003 0.000 0.312 354 V C -0.029 175.953 176.094 -0.187 0.000 1.061 354 V CA -0.447 61.767 62.300 -0.142 0.000 0.931 354 V CB 2.455 34.213 31.823 -0.108 0.000 1.010 354 V HN 0.752 nan 8.190 nan 0.000 0.433 355 T N 4.861 119.270 114.554 -0.242 0.000 2.913 355 T HA 0.360 4.712 4.350 0.003 0.000 0.297 355 T C 0.565 175.045 174.700 -0.367 0.000 1.029 355 T CA -0.011 61.890 62.100 -0.331 0.000 1.104 355 T CB 0.361 68.944 68.868 -0.475 0.000 0.964 355 T HN 0.570 nan 8.240 nan 0.000 0.532 356 L N 4.453 125.505 121.223 -0.284 0.000 2.808 356 L HA 0.265 4.607 4.340 0.003 0.000 0.246 356 L C 1.494 178.331 176.870 -0.054 0.000 1.153 356 L CA -0.349 54.394 54.840 -0.162 0.000 0.956 356 L CB -0.332 41.692 42.059 -0.058 0.000 1.270 356 L HN 0.878 nan 8.230 nan 0.000 0.528 357 H N 0.601 119.584 119.070 -0.146 0.000 1.885 357 H HA -0.273 4.285 4.556 0.004 0.000 0.090 357 H C 0.242 175.623 175.328 0.090 0.000 0.597 357 H CA 2.083 58.091 56.048 -0.067 0.000 1.852 357 H CB -0.956 28.715 29.762 -0.152 0.000 2.184 357 H HN 0.614 nan 8.280 nan 0.000 0.953 358 N N 0.809 119.710 118.700 0.335 0.000 3.243 358 N HA 0.126 4.868 4.740 0.003 0.000 0.280 358 N C 0.603 176.353 175.510 0.400 0.000 1.545 358 N CA -0.020 53.241 53.050 0.350 0.000 0.854 358 N CB 0.566 39.187 38.487 0.223 0.000 1.612 358 N HN 0.275 nan 8.380 nan 0.000 0.577 359 E N -0.123 120.234 120.200 0.262 0.000 2.153 359 E HA -0.103 4.249 4.350 0.003 0.000 0.194 359 E C 0.919 177.607 176.600 0.147 0.000 0.988 359 E CA 1.446 57.929 56.400 0.138 0.000 0.811 359 E CB -0.531 28.990 29.700 -0.299 0.000 0.746 359 E HN 0.512 nan 8.360 nan 0.000 0.466 360 S N 0.878 116.648 115.700 0.117 0.000 2.348 360 S HA -0.161 4.311 4.470 0.003 0.000 0.221 360 S C 1.788 176.460 174.600 0.120 0.000 1.033 360 S CA 1.177 59.428 58.200 0.084 0.000 1.010 360 S CB -0.647 62.580 63.200 0.045 0.000 0.891 360 S HN 0.380 nan 8.310 nan 0.000 0.442 361 Y N 2.065 122.406 120.300 0.069 0.000 2.165 361 Y HA -0.162 4.391 4.550 0.005 0.000 0.286 361 Y C 2.013 177.975 175.900 0.102 0.000 1.155 361 Y CA 1.442 59.586 58.100 0.073 0.000 1.164 361 Y CB -0.316 38.210 38.460 0.111 0.000 0.978 361 Y HN 0.174 nan 8.280 nan 0.000 0.513 362 I N -0.054 120.743 120.570 0.379 0.000 2.286 362 I HA -0.296 3.875 4.170 0.003 0.000 0.248 362 I C 2.099 178.313 176.117 0.161 0.000 1.115 362 I CA 1.702 63.177 61.300 0.291 0.000 1.392 362 I CB -0.397 37.797 38.000 0.324 0.000 1.065 362 I HN 0.366 nan 8.210 nan 0.000 0.418 363 E N 0.478 120.752 120.200 0.123 0.000 2.046 363 E HA -0.226 4.126 4.350 0.003 0.000 0.190 363 E C 2.052 178.660 176.600 0.014 0.000 0.982 363 E CA 0.947 57.387 56.400 0.067 0.000 0.800 363 E CB 0.015 29.748 29.700 0.054 0.000 0.756 363 E HN 0.328 nan 8.360 nan 0.000 0.449 364 E N 0.624 120.804 120.200 -0.033 0.000 2.038 364 E HA -0.144 4.208 4.350 0.003 0.000 0.195 364 E C 1.700 178.240 176.600 -0.098 0.000 1.000 364 E CA 0.890 57.238 56.400 -0.087 0.000 0.803 364 E CB 0.059 29.662 29.700 -0.160 0.000 0.750 364 E HN 0.085 nan 8.360 nan 0.000 0.448 365 L N 0.581 121.717 121.223 -0.145 0.000 2.610 365 L HA -0.018 4.324 4.340 0.003 0.000 0.232 365 L C 0.191 177.059 176.870 -0.004 0.000 1.149 365 L CA 0.811 55.591 54.840 -0.100 0.000 0.872 365 L CB -1.077 40.895 42.059 -0.145 0.000 0.992 365 L HN 0.303 nan 8.230 nan 0.000 0.447 366 D N 0.853 121.263 120.400 0.017 0.000 2.697 366 D HA -0.237 4.405 4.640 0.003 0.000 0.238 366 D C 0.087 176.427 176.300 0.066 0.000 1.152 366 D CA 0.353 54.380 54.000 0.044 0.000 0.666 366 D CB -0.961 39.859 40.800 0.033 0.000 1.037 366 D HN 0.246 nan 8.370 nan 0.000 0.423 367 I N 1.374 121.999 120.570 0.091 0.000 2.363 367 I HA 0.218 4.390 4.170 0.003 0.000 0.292 367 I C 1.351 177.517 176.117 0.082 0.000 1.075 367 I CA -0.162 61.198 61.300 0.100 0.000 1.333 367 I CB 0.684 38.769 38.000 0.141 0.000 1.415 367 I HN 0.043 nan 8.210 nan 0.000 0.502 368 R N 4.429 124.967 120.500 0.062 0.000 2.981 368 R HA 0.580 4.922 4.340 0.003 0.000 0.228 368 R C 0.883 177.194 176.300 0.019 0.000 1.421 368 R CA -0.583 55.546 56.100 0.047 0.000 1.073 368 R CB 0.957 31.286 30.300 0.049 0.000 1.568 368 R HN 0.437 nan 8.270 nan 0.000 0.514 369 I N -0.365 120.208 120.570 0.005 0.000 2.315 369 I HA -0.001 4.171 4.170 0.003 0.000 0.233 369 I C 2.050 178.140 176.117 -0.046 0.000 1.067 369 I CA 1.281 62.564 61.300 -0.028 0.000 1.376 369 I CB -0.605 37.376 38.000 -0.032 0.000 1.143 369 I HN 0.865 nan 8.210 nan 0.000 0.421 370 G N 0.668 109.449 108.800 -0.031 0.000 2.564 370 G HA2 -0.185 3.777 3.960 0.003 0.000 0.217 370 G HA3 -0.185 3.777 3.960 0.003 0.000 0.217 370 G C 0.393 175.262 174.900 -0.052 0.000 1.120 370 G CA 0.324 45.396 45.100 -0.046 0.000 0.752 370 G HN 0.281 nan 8.290 nan 0.000 0.558 371 D N -0.438 119.955 120.400 -0.011 0.000 2.472 371 D HA 0.099 4.741 4.640 0.003 0.000 0.237 371 D C -0.194 176.106 176.300 0.001 0.000 1.141 371 D CA 0.004 54.034 54.000 0.050 0.000 0.875 371 D CB 0.529 41.369 40.800 0.066 0.000 1.192 371 D HN 0.220 nan 8.370 nan 0.000 0.450 372 W N 1.514 122.825 121.300 0.018 0.000 2.365 372 W HA 0.417 5.079 4.660 0.003 0.000 0.316 372 W C -0.142 176.393 176.519 0.027 0.000 1.164 372 W CA -0.517 56.839 57.345 0.019 0.000 1.204 372 W CB 1.024 30.495 29.460 0.018 0.000 1.213 372 W HN 0.060 nan 8.180 nan 0.000 0.539 373 V N 2.077 122.131 119.914 0.234 0.000 2.925 373 V HA 0.600 4.722 4.120 0.003 0.000 0.311 373 V C -1.331 174.864 176.094 0.168 0.000 1.104 373 V CA -1.541 60.860 62.300 0.169 0.000 0.954 373 V CB 1.557 33.446 31.823 0.111 0.000 1.022 373 V HN 0.407 nan 8.190 nan 0.000 0.427 374 L N 3.802 125.112 121.223 0.145 0.000 2.261 374 L HA 0.701 5.043 4.340 0.003 0.000 0.289 374 L C -0.165 176.793 176.870 0.147 0.000 1.059 374 L CA -0.185 54.735 54.840 0.134 0.000 0.816 374 L CB 1.248 43.367 42.059 0.102 0.000 1.191 374 L HN 0.842 nan 8.230 nan 0.000 0.431 375 V N 6.108 126.113 119.914 0.152 0.000 2.435 375 V HA 0.583 4.705 4.120 0.003 0.000 0.290 375 V C -0.538 175.693 176.094 0.229 0.000 1.030 375 V CA -0.173 62.233 62.300 0.177 0.000 0.881 375 V CB 1.103 32.987 31.823 0.103 0.000 0.983 375 V HN 0.964 nan 8.190 nan 0.000 0.445 376 H N 4.878 124.002 119.070 0.091 0.000 2.949 376 H HA 0.619 5.177 4.556 0.004 0.000 0.310 376 H C -1.470 173.907 175.328 0.082 0.000 1.405 376 H CA -1.382 54.721 56.048 0.091 0.000 1.253 376 H CB 1.734 31.558 29.762 0.104 0.000 1.932 376 H HN 0.567 nan 8.280 nan 0.000 0.602 377 K N 0.814 120.964 120.400 -0.417 0.000 2.367 377 K HA 0.562 4.884 4.320 0.003 0.000 0.263 377 K C -0.694 175.565 176.600 -0.567 0.000 1.000 377 K CA -0.790 55.250 56.287 -0.412 0.000 0.891 377 K CB 1.818 34.223 32.500 -0.158 0.000 1.117 377 K HN 0.682 nan 8.250 nan 0.000 0.443 378 A N 1.855 124.380 122.820 -0.492 0.000 2.491 378 A HA 0.398 4.720 4.320 0.003 0.000 0.261 378 A C 1.263 178.826 177.584 -0.035 0.000 1.101 378 A CA 0.813 52.790 52.037 -0.100 0.000 0.772 378 A CB -0.478 18.672 19.000 0.249 0.000 1.043 378 A HN 0.991 nan 8.150 nan 0.000 0.501 379 G N 1.718 110.406 108.800 -0.186 0.000 2.175 379 G HA2 0.115 4.077 3.960 0.003 0.000 0.265 379 G HA3 0.115 4.077 3.960 0.003 0.000 0.265 379 G C 1.562 176.374 174.900 -0.148 0.000 0.979 379 G CA 0.926 45.859 45.100 -0.279 0.000 0.663 379 G HN 2.829 nan 8.290 nan 0.000 0.533 380 G N -2.416 106.301 108.800 -0.139 0.000 2.333 380 G HA2 0.083 4.045 3.960 0.003 0.000 0.296 380 G HA3 0.083 4.045 3.960 0.003 0.000 0.296 380 G C 0.877 175.531 174.900 -0.410 0.000 1.059 380 G CA 1.443 46.419 45.100 -0.206 0.000 1.050 380 G HN 2.146 nan 8.290 nan 0.000 0.508 381 V N -1.012 118.762 119.914 -0.233 0.000 3.034 381 V HA 0.390 4.512 4.120 0.003 0.000 0.243 381 V C 0.358 176.393 176.094 -0.098 0.000 1.717 381 V CA 0.935 63.121 62.300 -0.190 0.000 1.035 381 V CB 0.096 31.846 31.823 -0.123 0.000 0.973 381 V HN 0.429 nan 8.190 nan 0.000 0.404 382 I N 4.922 125.456 120.570 -0.060 0.000 2.390 382 I HA 0.420 4.592 4.170 0.003 0.000 0.283 382 I C -2.457 173.609 176.117 -0.085 0.000 1.016 382 I CA -1.991 59.281 61.300 -0.046 0.000 1.151 382 I CB 2.186 40.196 38.000 0.017 0.000 1.293 382 I HN 0.209 nan 8.210 nan 0.000 0.458 383 P HA 0.076 nan 4.420 nan 0.000 0.268 383 P C -1.069 176.192 177.300 -0.066 0.000 1.204 383 P CA 0.270 63.319 63.100 -0.084 0.000 0.768 383 P CB 0.687 32.346 31.700 -0.068 0.000 0.842 384 E N 0.660 120.860 120.200 -0.000 0.000 2.401 384 E HA 0.296 4.648 4.350 0.003 0.000 0.280 384 E C -1.470 175.260 176.600 0.218 0.000 1.039 384 E CA -1.235 55.207 56.400 0.070 0.000 0.814 384 E CB 1.251 31.025 29.700 0.122 0.000 1.275 384 E HN 0.093 nan 8.360 nan 0.000 0.448 385 V N 4.684 124.720 119.914 0.204 0.000 2.377 385 V HA 0.002 4.124 4.120 0.003 0.000 0.254 385 V C 1.013 177.317 176.094 0.351 0.000 1.060 385 V CA -0.284 62.169 62.300 0.256 0.000 1.068 385 V CB -0.003 31.953 31.823 0.223 0.000 1.113 385 V HN 0.828 nan 8.190 nan 0.000 0.484 386 L N 7.000 128.390 121.223 0.279 0.000 2.079 386 L HA 0.020 4.362 4.340 0.003 0.000 0.210 386 L C 1.095 178.018 176.870 0.087 0.000 1.081 386 L CA 2.263 57.168 54.840 0.108 0.000 0.752 386 L CB -0.371 41.614 42.059 -0.124 0.000 0.896 386 L HN 0.968 nan 8.230 nan 0.000 0.433 387 R N -2.683 117.878 120.500 0.103 0.000 3.112 387 R HA 0.272 4.614 4.340 0.003 0.000 0.271 387 R C -1.486 174.868 176.300 0.091 0.000 1.008 387 R CA -0.740 55.403 56.100 0.072 0.000 0.903 387 R CB 0.855 31.172 30.300 0.029 0.000 1.267 387 R HN -0.211 nan 8.270 nan 0.000 0.514 388 V N 2.418 122.381 119.914 0.083 0.000 2.686 388 V HA 0.335 4.457 4.120 0.003 0.000 0.295 388 V C -0.414 175.735 176.094 0.092 0.000 1.057 388 V CA -0.826 61.534 62.300 0.099 0.000 1.012 388 V CB 1.185 33.063 31.823 0.092 0.000 1.006 388 V HN 0.613 nan 8.190 nan 0.000 0.477 389 L N 7.676 128.973 121.223 0.123 0.000 2.399 389 L HA 0.330 4.672 4.340 0.003 0.000 0.257 389 L C 1.468 178.389 176.870 0.086 0.000 1.236 389 L CA 0.565 55.462 54.840 0.095 0.000 1.144 389 L CB -0.464 41.660 42.059 0.107 0.000 1.379 389 L HN 0.739 nan 8.230 nan 0.000 0.414 390 K N 1.028 121.465 120.400 0.063 0.000 2.032 390 K HA -0.259 4.063 4.320 0.003 0.000 0.218 390 K C 1.749 178.375 176.600 0.044 0.000 1.054 390 K CA 2.062 58.381 56.287 0.054 0.000 0.941 390 K CB -0.009 32.514 32.500 0.037 0.000 0.720 390 K HN 0.600 nan 8.250 nan 0.000 0.449 391 E N 1.444 121.658 120.200 0.023 0.000 2.171 391 E HA -0.261 4.091 4.350 0.003 0.000 0.197 391 E C 1.606 178.208 176.600 0.003 0.000 0.997 391 E CA 1.399 57.804 56.400 0.008 0.000 0.810 391 E CB -0.344 29.352 29.700 -0.008 0.000 0.738 391 E HN 0.252 nan 8.360 nan 0.000 0.467 392 R N 0.854 121.353 120.500 -0.002 0.000 2.328 392 R HA 0.087 4.429 4.340 0.003 0.000 0.206 392 R C 0.284 176.628 176.300 0.073 0.000 0.990 392 R CA -0.168 55.918 56.100 -0.022 0.000 1.085 392 R CB -0.011 30.195 30.300 -0.155 0.000 0.998 392 R HN 0.044 nan 8.270 nan 0.000 0.484 393 R N -0.251 120.298 120.500 0.082 0.000 2.449 393 R HA -0.045 4.296 4.340 0.003 0.000 0.296 393 R C 1.043 177.390 176.300 0.079 0.000 1.047 393 R CA 0.236 56.395 56.100 0.100 0.000 1.018 393 R CB 0.983 31.328 30.300 0.076 0.000 0.962 393 R HN -0.064 nan 8.270 nan 0.000 0.428 394 T N 1.364 115.974 114.554 0.094 0.000 3.113 394 T HA 0.072 4.424 4.350 0.003 0.000 0.256 394 T C 1.367 176.099 174.700 0.053 0.000 1.131 394 T CA 1.061 63.204 62.100 0.073 0.000 1.074 394 T CB -0.010 68.908 68.868 0.084 0.000 0.944 394 T HN 0.903 nan 8.240 nan 0.000 0.516 395 G N 1.294 110.125 108.800 0.052 0.000 2.225 395 G HA2 -0.249 3.713 3.960 0.003 0.000 0.254 395 G HA3 -0.249 3.713 3.960 0.003 0.000 0.254 395 G C 0.804 175.727 174.900 0.038 0.000 0.988 395 G CA 0.538 45.663 45.100 0.041 0.000 0.625 395 G HN 0.537 nan 8.290 nan 0.000 0.527 396 K N 0.545 120.968 120.400 0.040 0.000 2.410 396 K HA 0.215 4.537 4.320 0.003 0.000 0.200 396 K C 0.209 176.827 176.600 0.029 0.000 1.023 396 K CA -0.087 56.219 56.287 0.032 0.000 1.149 396 K CB 0.162 32.680 32.500 0.029 0.000 0.859 396 K HN 0.463 nan 8.250 nan 0.000 0.514 397 E N 1.223 121.444 120.200 0.035 0.000 2.384 397 E HA 0.041 4.393 4.350 0.003 0.000 0.266 397 E C -0.430 176.187 176.600 0.029 0.000 1.012 397 E CA 0.388 56.806 56.400 0.031 0.000 0.901 397 E CB 0.593 30.317 29.700 0.041 0.000 0.967 397 E HN 0.021 nan 8.360 nan 0.000 0.435 398 R N 4.041 124.554 120.500 0.022 0.000 2.346 398 R HA 0.339 4.681 4.340 0.003 0.000 0.311 398 R C -2.153 174.171 176.300 0.039 0.000 0.983 398 R CA -1.986 54.131 56.100 0.028 0.000 0.880 398 R CB 1.007 31.319 30.300 0.020 0.000 1.100 398 R HN 0.440 nan 8.270 nan 0.000 0.453 399 P HA 0.075 nan 4.420 nan 0.000 0.276 399 P C -0.214 177.141 177.300 0.093 0.000 1.230 399 P CA -0.062 63.082 63.100 0.073 0.000 0.776 399 P CB 0.815 32.560 31.700 0.076 0.000 0.888 400 I N 4.342 124.981 120.570 0.115 0.000 2.581 400 I HA 0.051 4.223 4.170 0.003 0.000 0.285 400 I C 1.168 177.436 176.117 0.252 0.000 1.129 400 I CA 0.453 61.843 61.300 0.151 0.000 1.397 400 I CB -0.049 38.038 38.000 0.145 0.000 1.399 400 I HN 0.117 nan 8.210 nan 0.000 0.537 401 R N 6.556 127.199 120.500 0.239 0.000 2.621 401 R HA 0.343 4.685 4.340 0.003 0.000 0.292 401 R C -0.730 175.693 176.300 0.204 0.000 0.969 401 R CA -0.713 55.543 56.100 0.259 0.000 0.887 401 R CB 1.843 32.234 30.300 0.153 0.000 1.180 401 R HN 0.586 nan 8.270 nan 0.000 0.450 402 W N 3.781 124.919 121.300 -0.270 0.000 2.126 402 W HA 0.159 4.821 4.660 0.003 0.000 0.346 402 W C -1.525 174.720 176.519 -0.456 0.000 1.279 402 W CA -0.697 56.222 57.345 -0.710 0.000 1.259 402 W CB 0.521 29.381 29.460 -1.001 0.000 1.133 402 W HN 0.273 nan 8.180 nan 0.000 0.592 403 P HA 0.060 nan 4.420 nan 0.000 0.279 403 P C 0.188 177.478 177.300 -0.017 0.000 1.252 403 P CA 0.038 63.047 63.100 -0.152 0.000 0.811 403 P CB 1.266 32.855 31.700 -0.185 0.000 1.035 404 E N 1.177 121.387 120.200 0.016 0.000 2.051 404 E HA -0.060 4.291 4.350 0.003 0.000 0.192 404 E C 0.527 177.160 176.600 0.055 0.000 0.991 404 E CA 0.692 57.119 56.400 0.046 0.000 0.799 404 E CB -0.098 29.623 29.700 0.035 0.000 0.748 404 E HN 0.613 nan 8.360 nan 0.000 0.449 405 A N 0.020 122.863 122.820 0.038 0.000 2.281 405 A HA 0.391 4.713 4.320 0.003 0.000 0.329 405 A C -0.648 176.965 177.584 0.048 0.000 1.122 405 A CA -0.434 51.636 52.037 0.054 0.000 0.850 405 A CB 1.194 20.219 19.000 0.042 0.000 1.207 405 A HN 0.421 nan 8.150 nan 0.000 0.495 406 C N 2.716 122.060 119.300 0.075 0.000 2.499 406 C HA 0.482 4.944 4.460 0.003 0.000 0.386 406 C C -0.606 174.415 174.990 0.052 0.000 1.293 406 C CA -1.181 57.878 59.018 0.068 0.000 1.884 406 C CB 0.175 27.969 27.740 0.090 0.000 2.509 406 C HN 0.666 nan 8.230 nan 0.000 0.566 407 P HA -0.066 nan 4.420 nan 0.000 0.226 407 P C 0.526 177.849 177.300 0.038 0.000 1.153 407 P CA 1.509 64.632 63.100 0.038 0.000 0.777 407 P CB 0.128 31.855 31.700 0.046 0.000 0.794 408 E N -1.047 119.180 120.200 0.045 0.000 2.558 408 E HA 0.139 4.490 4.350 0.003 0.000 0.205 408 E C 0.905 177.533 176.600 0.046 0.000 1.006 408 E CA 0.064 56.489 56.400 0.041 0.000 0.961 408 E CB 0.031 29.755 29.700 0.040 0.000 1.044 408 E HN 0.401 nan 8.360 nan 0.000 0.465 409 C N -4.633 114.700 119.300 0.055 0.000 4.794 409 C HA 0.406 4.867 4.460 0.003 0.000 0.378 409 C C 1.553 176.584 174.990 0.069 0.000 1.797 409 C CA 0.282 59.339 59.018 0.064 0.000 1.852 409 C CB 0.051 27.841 27.740 0.084 0.000 2.730 409 C HN 0.417 nan 8.230 nan 0.000 0.580 410 G N 1.272 110.113 108.800 0.068 0.000 2.179 410 G HA2 -0.209 3.753 3.960 0.003 0.000 0.260 410 G HA3 -0.209 3.753 3.960 0.003 0.000 0.260 410 G C -0.081 174.861 174.900 0.070 0.000 0.977 410 G CA 0.765 45.897 45.100 0.053 0.000 0.641 410 G HN 1.140 nan 8.290 nan 0.000 0.533 411 H N 0.977 120.060 119.070 0.022 0.000 2.732 411 H HA 0.479 5.037 4.556 0.003 0.000 0.351 411 H C 1.055 176.397 175.328 0.024 0.000 1.090 411 H CA 0.041 56.102 56.048 0.023 0.000 1.431 411 H CB 0.801 30.579 29.762 0.027 0.000 1.447 411 H HN 0.389 nan 8.280 nan 0.000 0.582 412 R N 3.781 124.483 120.500 0.335 0.000 2.570 412 R HA 0.114 4.456 4.340 0.003 0.000 0.277 412 R C -0.259 176.194 176.300 0.256 0.000 1.039 412 R CA -0.123 56.119 56.100 0.236 0.000 1.065 412 R CB -0.182 30.204 30.300 0.143 0.000 0.964 412 R HN 0.554 nan 8.270 nan 0.000 0.428 413 L N 3.400 124.705 121.223 0.137 0.000 2.466 413 L HA 0.397 4.739 4.340 0.003 0.000 0.257 413 L C -0.236 176.658 176.870 0.039 0.000 1.189 413 L CA -0.528 54.368 54.840 0.092 0.000 0.813 413 L CB 1.077 43.218 42.059 0.137 0.000 1.118 413 L HN 0.396 nan 8.230 nan 0.000 0.471 414 V N 1.561 121.464 119.914 -0.018 0.000 2.777 414 V HA 0.208 4.329 4.120 0.003 0.000 0.306 414 V C -0.511 175.480 176.094 -0.171 0.000 1.112 414 V CA -0.826 61.425 62.300 -0.082 0.000 0.917 414 V CB 2.232 34.012 31.823 -0.071 0.000 1.018 414 V HN 0.659 nan 8.190 nan 0.000 0.426 415 K N 4.504 124.737 120.400 -0.278 0.000 2.184 415 K HA 0.273 4.595 4.320 0.003 0.000 0.259 415 K C 0.146 176.608 176.600 -0.230 0.000 1.119 415 K CA -0.144 55.904 56.287 -0.398 0.000 0.991 415 K CB 0.290 32.415 32.500 -0.625 0.000 1.522 415 K HN 0.732 nan 8.250 nan 0.000 0.405 416 E N 3.742 123.844 120.200 -0.164 0.000 2.003 416 E HA 0.133 4.485 4.350 0.003 0.000 0.279 416 E C 0.471 177.011 176.600 -0.100 0.000 1.132 416 E CA 0.342 56.677 56.400 -0.109 0.000 0.888 416 E CB 0.213 29.866 29.700 -0.077 0.000 1.056 416 E HN 0.865 nan 8.360 nan 0.000 0.399 417 G N 5.158 113.900 108.800 -0.097 0.000 2.536 417 G HA2 -0.383 3.579 3.960 0.003 0.000 0.277 417 G HA3 -0.383 3.579 3.960 0.003 0.000 0.277 417 G C 0.651 175.492 174.900 -0.097 0.000 1.155 417 G CA 0.376 45.428 45.100 -0.080 0.000 0.960 417 G HN 0.557 nan 8.290 nan 0.000 0.544 418 K N 0.213 120.566 120.400 -0.078 0.000 2.367 418 K HA 0.494 4.816 4.320 0.003 0.000 0.194 418 K C 0.651 177.195 176.600 -0.093 0.000 1.027 418 K CA 0.863 57.103 56.287 -0.078 0.000 1.075 418 K CB 0.393 32.865 32.500 -0.046 0.000 0.845 418 K HN 1.039 nan 8.250 nan 0.000 0.529 419 V N -1.389 118.469 119.914 -0.094 0.000 2.735 419 V HA 0.412 4.534 4.120 0.003 0.000 0.310 419 V C -0.468 175.559 176.094 -0.110 0.000 1.061 419 V CA -1.115 61.138 62.300 -0.078 0.000 0.913 419 V CB 1.438 33.262 31.823 0.003 0.000 1.005 419 V HN 0.057 nan 8.190 nan 0.000 0.428 420 H N 4.063 122.946 119.070 -0.310 0.000 2.732 420 H HA 0.579 5.137 4.556 0.003 0.000 0.351 420 H C 0.207 175.507 175.328 -0.047 0.000 1.090 420 H CA 0.308 56.203 56.048 -0.256 0.000 1.431 420 H CB 1.188 30.646 29.762 -0.507 0.000 1.447 420 H HN 0.847 nan 8.280 nan 0.000 0.582 421 R N 1.060 121.599 120.500 0.066 0.000 2.766 421 R HA 0.414 4.756 4.340 0.003 0.000 0.270 421 R C -1.639 174.677 176.300 0.028 0.000 1.035 421 R CA -0.874 55.263 56.100 0.063 0.000 0.911 421 R CB 0.746 31.060 30.300 0.024 0.000 1.243 421 R HN 0.472 nan 8.270 nan 0.000 0.460 422 C N 2.744 122.053 119.300 0.014 0.000 2.255 422 C HA 0.507 4.968 4.460 0.003 0.000 0.326 422 C C -1.090 173.839 174.990 -0.101 0.000 1.258 422 C CA -1.889 57.107 59.018 -0.037 0.000 1.676 422 C CB 0.957 28.697 27.740 0.000 0.000 2.314 422 C HN 0.761 nan 8.230 nan 0.000 0.509 423 P HA -0.075 nan 4.420 nan 0.000 0.224 423 P C 0.168 177.331 177.300 -0.229 0.000 1.157 423 P CA 0.622 63.591 63.100 -0.219 0.000 0.799 423 P CB -0.234 31.307 31.700 -0.265 0.000 0.809 424 N N 1.664 120.144 118.700 -0.368 0.000 2.236 424 N HA -0.077 4.665 4.740 0.003 0.000 0.274 424 N C -1.477 174.028 175.510 -0.008 0.000 1.339 424 N CA -0.627 52.335 53.050 -0.148 0.000 0.845 424 N CB 0.580 39.059 38.487 -0.014 0.000 1.091 424 N HN 0.018 nan 8.380 nan 0.000 0.489 425 P HA -0.087 nan 4.420 nan 0.000 0.221 425 P C 0.360 177.696 177.300 0.060 0.000 1.150 425 P CA 1.041 64.198 63.100 0.094 0.000 0.800 425 P CB 0.322 32.137 31.700 0.191 0.000 0.787 426 L N -1.762 119.497 121.223 0.061 0.000 2.769 426 L HA 0.185 4.527 4.340 0.003 0.000 0.240 426 L C 0.683 177.582 176.870 0.047 0.000 1.163 426 L CA -0.613 54.253 54.840 0.043 0.000 0.962 426 L CB -0.323 41.760 42.059 0.040 0.000 1.258 426 L HN -0.024 nan 8.230 nan 0.000 0.513 427 C N 1.989 121.319 119.300 0.051 0.000 2.590 427 C HA 0.049 4.511 4.460 0.003 0.000 0.411 427 C C -0.399 174.619 174.990 0.046 0.000 1.420 427 C CA -0.911 58.138 59.018 0.051 0.000 1.643 427 C CB 0.641 28.407 27.740 0.043 0.000 2.528 427 C HN 0.231 nan 8.230 nan 0.000 0.606 428 P HA -0.047 nan 4.420 nan 0.000 0.220 428 P C 1.353 178.682 177.300 0.048 0.000 1.148 428 P CA 2.059 65.183 63.100 0.041 0.000 0.803 428 P CB -0.007 31.714 31.700 0.035 0.000 0.782 429 A N -0.303 122.546 122.820 0.048 0.000 2.121 429 A HA -0.152 4.170 4.320 0.003 0.000 0.218 429 A C 1.741 179.366 177.584 0.067 0.000 1.154 429 A CA 1.436 53.505 52.037 0.053 0.000 0.679 429 A CB -0.782 18.248 19.000 0.050 0.000 0.795 429 A HN 0.224 nan 8.150 nan 0.000 0.458 430 K N -1.079 119.359 120.400 0.063 0.000 2.358 430 K HA 0.188 4.510 4.320 0.003 0.000 0.200 430 K C 1.643 178.285 176.600 0.070 0.000 1.030 430 K CA -0.256 56.071 56.287 0.066 0.000 1.097 430 K CB 0.345 32.872 32.500 0.045 0.000 0.862 430 K HN 0.333 nan 8.250 nan 0.000 0.534 431 R N 0.665 121.210 120.500 0.076 0.000 2.103 431 R HA -0.178 4.164 4.340 0.003 0.000 0.234 431 R C 2.003 178.353 176.300 0.083 0.000 1.132 431 R CA 2.129 58.268 56.100 0.066 0.000 0.925 431 R CB -0.665 29.675 30.300 0.068 0.000 0.842 431 R HN 0.180 nan 8.270 nan 0.000 0.430 432 F N 2.148 122.103 119.950 0.009 0.000 2.087 432 F HA -0.324 4.204 4.527 0.003 0.000 0.299 432 F C 2.472 178.285 175.800 0.022 0.000 1.100 432 F CA 2.166 60.173 58.000 0.012 0.000 1.226 432 F CB -0.175 38.831 39.000 0.010 0.000 0.983 432 F HN 0.012 nan 8.300 nan 0.000 0.479 433 E N 0.691 120.882 120.200 -0.015 0.000 2.051 433 E HA -0.156 4.196 4.350 0.003 0.000 0.192 433 E C 2.209 178.747 176.600 -0.103 0.000 0.991 433 E CA 1.535 57.870 56.400 -0.107 0.000 0.799 433 E CB -0.742 28.978 29.700 0.034 0.000 0.748 433 E HN 0.436 nan 8.360 nan 0.000 0.449 434 A N 1.166 123.966 122.820 -0.032 0.000 1.873 434 A HA -0.213 4.108 4.320 0.003 0.000 0.218 434 A C 2.259 179.832 177.584 -0.018 0.000 1.193 434 A CA 1.913 53.953 52.037 0.005 0.000 0.629 434 A CB -0.844 18.157 19.000 0.002 0.000 0.826 434 A HN 0.372 nan 8.150 nan 0.000 0.447 435 I N -0.740 119.775 120.570 -0.092 0.000 2.163 435 I HA -0.228 3.943 4.170 0.003 0.000 0.243 435 I C 2.628 178.689 176.117 -0.093 0.000 1.085 435 I CA 1.877 63.116 61.300 -0.102 0.000 1.347 435 I CB -1.205 36.720 38.000 -0.124 0.000 1.044 435 I HN 0.440 nan 8.210 nan 0.000 0.408 436 R N -0.056 120.300 120.500 -0.240 0.000 2.070 436 R HA -0.236 4.106 4.340 0.003 0.000 0.233 436 R C 2.574 178.848 176.300 -0.044 0.000 1.137 436 R CA 1.741 57.709 56.100 -0.220 0.000 0.945 436 R CB -0.434 29.605 30.300 -0.435 0.000 0.845 436 R HN 0.318 nan 8.270 nan 0.000 0.430 437 H N -0.536 118.454 119.070 -0.135 0.000 2.353 437 H HA -0.228 4.330 4.556 0.003 0.000 0.298 437 H C 1.616 176.883 175.328 -0.101 0.000 1.103 437 H CA 2.233 58.208 56.048 -0.123 0.000 1.293 437 H CB -0.544 29.140 29.762 -0.129 0.000 1.372 437 H HN 0.336 nan 8.280 nan 0.000 0.501 438 Y N -0.122 120.069 120.300 -0.183 0.000 2.352 438 Y HA -0.028 4.524 4.550 0.003 0.000 0.292 438 Y C 2.389 178.199 175.900 -0.151 0.000 1.136 438 Y CA 1.283 59.258 58.100 -0.209 0.000 1.227 438 Y CB -0.230 38.161 38.460 -0.115 0.000 0.991 438 Y HN 0.299 nan 8.280 nan 0.000 0.545 439 A N -0.444 122.389 122.820 0.021 0.000 2.132 439 A HA 0.107 4.429 4.320 0.003 0.000 0.213 439 A C 1.348 178.894 177.584 -0.064 0.000 1.154 439 A CA 0.432 52.455 52.037 -0.023 0.000 0.753 439 A CB -0.919 18.084 19.000 0.006 0.000 0.826 439 A HN 0.397 nan 8.150 nan 0.000 0.469 440 S N 0.145 115.806 115.700 -0.065 0.000 2.573 440 S HA 0.148 4.620 4.470 0.003 0.000 0.277 440 S C 1.025 175.605 174.600 -0.032 0.000 1.346 440 S CA 0.122 58.305 58.200 -0.027 0.000 1.034 440 S CB 0.645 63.855 63.200 0.017 0.000 0.879 440 S HN 0.505 nan 8.310 nan 0.000 0.528 441 R N 2.415 122.916 120.500 0.001 0.000 2.139 441 R HA -0.072 4.270 4.340 0.003 0.000 0.243 441 R C 1.819 178.135 176.300 0.026 0.000 1.145 441 R CA 1.647 57.750 56.100 0.005 0.000 0.976 441 R CB -0.724 29.584 30.300 0.013 0.000 0.866 441 R HN 0.701 nan 8.270 nan 0.000 0.449 442 K N 0.450 120.900 120.400 0.083 0.000 2.097 442 K HA 0.038 4.360 4.320 0.003 0.000 0.205 442 K C 1.539 178.274 176.600 0.225 0.000 1.050 442 K CA 1.170 57.562 56.287 0.176 0.000 0.938 442 K CB -0.112 32.598 32.500 0.350 0.000 0.718 442 K HN 0.312 nan 8.250 nan 0.000 0.442 443 A N 1.367 124.219 122.820 0.054 0.000 3.474 443 A HA 0.245 4.567 4.320 0.003 0.000 0.159 443 A C 0.356 177.832 177.584 -0.180 0.000 1.939 443 A CA -0.180 51.770 52.037 -0.147 0.000 1.265 443 A CB -0.000 18.713 19.000 -0.478 0.000 1.818 443 A HN 0.040 nan 8.150 nan 0.000 0.767 444 M N 1.639 121.012 119.600 -0.379 0.000 2.135 444 M HA 0.194 4.675 4.480 0.003 0.000 0.345 444 M C -0.923 175.250 176.300 -0.212 0.000 1.340 444 M CA -0.474 54.626 55.300 -0.334 0.000 1.162 444 M CB -0.487 31.749 32.600 -0.607 0.000 1.570 444 M HN 0.547 nan 8.290 nan 0.000 0.454 445 D N 4.436 124.772 120.400 -0.106 0.000 2.389 445 D HA 0.193 4.835 4.640 0.003 0.000 0.263 445 D C -0.643 175.627 176.300 -0.050 0.000 1.255 445 D CA 0.488 54.451 54.000 -0.062 0.000 0.914 445 D CB 0.115 40.897 40.800 -0.029 0.000 1.116 445 D HN 0.552 nan 8.370 nan 0.000 0.502 446 I N 4.139 124.681 120.570 -0.047 0.000 2.714 446 I HA 0.072 4.243 4.170 0.003 0.000 0.276 446 I C 1.053 177.156 176.117 -0.023 0.000 1.196 446 I CA -0.366 60.913 61.300 -0.034 0.000 1.068 446 I CB 1.143 39.123 38.000 -0.033 0.000 1.291 446 I HN 0.388 nan 8.210 nan 0.000 0.530 447 E N 3.114 123.305 120.200 -0.016 0.000 2.085 447 E HA -0.181 4.171 4.350 0.003 0.000 0.194 447 E C 2.206 178.802 176.600 -0.006 0.000 0.994 447 E CA 1.492 57.887 56.400 -0.008 0.000 0.801 447 E CB 0.067 29.765 29.700 -0.004 0.000 0.743 447 E HN 0.838 nan 8.360 nan 0.000 0.453 448 G N 1.732 110.526 108.800 -0.010 0.000 2.469 448 G HA2 -0.214 3.748 3.960 0.003 0.000 0.220 448 G HA3 -0.214 3.748 3.960 0.003 0.000 0.220 448 G C 0.880 175.776 174.900 -0.006 0.000 1.136 448 G CA 0.167 45.262 45.100 -0.008 0.000 0.759 448 G HN 0.106 nan 8.290 nan 0.000 0.562 449 L N 2.741 123.957 121.223 -0.012 0.000 2.449 449 L HA 0.177 4.519 4.340 0.003 0.000 0.266 449 L C 1.505 178.377 176.870 0.004 0.000 1.321 449 L CA 0.058 54.893 54.840 -0.009 0.000 1.194 449 L CB -0.927 41.120 42.059 -0.020 0.000 1.384 449 L HN 0.092 nan 8.230 nan 0.000 0.438 450 G N 1.415 110.227 108.800 0.019 0.000 2.684 450 G HA2 -0.001 3.961 3.960 0.003 0.000 0.255 450 G HA3 -0.001 3.961 3.960 0.003 0.000 0.255 450 G C 0.824 175.763 174.900 0.064 0.000 1.219 450 G CA -0.373 44.748 45.100 0.035 0.000 0.901 450 G HN 0.680 nan 8.290 nan 0.000 0.548 451 E N -0.396 119.862 120.200 0.096 0.000 2.204 451 E HA -0.119 4.232 4.350 0.003 0.000 0.195 451 E C 2.116 178.855 176.600 0.232 0.000 0.990 451 E CA 1.067 57.585 56.400 0.197 0.000 0.821 451 E CB 0.008 29.838 29.700 0.216 0.000 0.750 451 E HN 0.548 nan 8.360 nan 0.000 0.477 452 K N -0.045 120.431 120.400 0.126 0.000 2.076 452 K HA -0.088 4.234 4.320 0.003 0.000 0.204 452 K C 2.120 178.771 176.600 0.085 0.000 1.051 452 K CA 0.527 56.868 56.287 0.091 0.000 0.949 452 K CB -0.097 32.433 32.500 0.051 0.000 0.726 452 K HN 0.087 nan 8.250 nan 0.000 0.443 453 L N 1.953 123.218 121.223 0.070 0.000 2.131 453 L HA -0.104 4.238 4.340 0.003 0.000 0.210 453 L C 1.825 178.735 176.870 0.066 0.000 1.092 453 L CA 1.464 56.334 54.840 0.051 0.000 0.759 453 L CB -0.271 41.806 42.059 0.029 0.000 0.903 453 L HN 0.144 nan 8.230 nan 0.000 0.435 454 I N -0.001 120.629 120.570 0.100 0.000 2.226 454 I HA -0.297 3.875 4.170 0.003 0.000 0.245 454 I C 2.414 178.639 176.117 0.180 0.000 1.100 454 I CA 1.748 63.117 61.300 0.116 0.000 1.374 454 I CB -0.488 37.566 38.000 0.089 0.000 1.057 454 I HN 0.466 nan 8.210 nan 0.000 0.413 455 E N 0.951 121.285 120.200 0.224 0.000 2.285 455 E HA -0.221 4.131 4.350 0.003 0.000 0.194 455 E C 2.190 178.829 176.600 0.066 0.000 0.997 455 E CA 0.507 56.992 56.400 0.142 0.000 0.845 455 E CB -0.123 29.595 29.700 0.030 0.000 0.782 455 E HN 0.228 nan 8.360 nan 0.000 0.491 456 R N 1.093 121.627 120.500 0.058 0.000 2.093 456 R HA 0.122 4.464 4.340 0.003 0.000 0.224 456 R C 2.116 178.433 176.300 0.029 0.000 1.101 456 R CA 0.992 57.112 56.100 0.032 0.000 0.979 456 R CB -0.412 29.904 30.300 0.027 0.000 0.877 456 R HN 0.281 nan 8.270 nan 0.000 0.441 457 L N -0.121 121.123 121.223 0.035 0.000 2.217 457 L HA -0.089 4.253 4.340 0.003 0.000 0.211 457 L C 1.848 178.735 176.870 0.028 0.000 1.107 457 L CA 0.419 55.274 54.840 0.024 0.000 0.783 457 L CB -0.304 41.765 42.059 0.017 0.000 0.919 457 L HN 0.211 nan 8.230 nan 0.000 0.442 458 L N -0.264 120.987 121.223 0.045 0.000 2.068 458 L HA -0.141 4.200 4.340 0.003 0.000 0.204 458 L C 2.492 179.380 176.870 0.031 0.000 1.076 458 L CA 1.584 56.452 54.840 0.047 0.000 0.753 458 L CB -0.742 41.367 42.059 0.083 0.000 0.910 458 L HN 0.233 nan 8.230 nan 0.000 0.439 459 E N 0.352 120.568 120.200 0.026 0.000 2.031 459 E HA -0.204 4.148 4.350 0.003 0.000 0.193 459 E C 2.145 178.752 176.600 0.010 0.000 0.994 459 E CA 1.377 57.785 56.400 0.013 0.000 0.800 459 E CB 0.011 29.715 29.700 0.006 0.000 0.752 459 E HN 0.126 nan 8.360 nan 0.000 0.447 460 K N -1.302 119.105 120.400 0.011 0.000 2.360 460 K HA -0.075 4.247 4.320 0.003 0.000 0.201 460 K C 0.884 177.488 176.600 0.008 0.000 1.046 460 K CA 0.814 57.106 56.287 0.008 0.000 0.945 460 K CB -0.031 32.474 32.500 0.008 0.000 0.750 460 K HN 0.399 nan 8.250 nan 0.000 0.464 461 G N 0.631 109.437 108.800 0.011 0.000 2.157 461 G HA2 -0.237 3.724 3.960 0.003 0.000 0.239 461 G HA3 -0.237 3.724 3.960 0.003 0.000 0.239 461 G C 0.606 175.513 174.900 0.011 0.000 0.982 461 G CA 0.134 45.240 45.100 0.010 0.000 0.650 461 G HN 0.244 nan 8.290 nan 0.000 0.527 462 L N -0.497 120.733 121.223 0.011 0.000 2.554 462 L HA 0.359 4.701 4.340 0.003 0.000 0.226 462 L C 0.599 177.477 176.870 0.013 0.000 1.137 462 L CA 0.442 55.289 54.840 0.012 0.000 0.863 462 L CB 0.350 42.414 42.059 0.009 0.000 0.985 462 L HN 0.154 nan 8.230 nan 0.000 0.451 463 V N -0.611 119.310 119.914 0.012 0.000 2.655 463 V HA 0.236 4.358 4.120 0.003 0.000 0.301 463 V C 0.276 176.376 176.094 0.009 0.000 1.082 463 V CA -0.525 61.779 62.300 0.007 0.000 0.899 463 V CB 2.238 34.057 31.823 -0.006 0.000 1.014 463 V HN 0.071 nan 8.190 nan 0.000 0.429 464 R N 1.635 122.139 120.500 0.007 0.000 2.250 464 R HA 0.270 4.612 4.340 0.003 0.000 0.194 464 R C -0.143 176.154 176.300 -0.004 0.000 0.927 464 R CA 0.802 56.907 56.100 0.008 0.000 1.052 464 R CB 0.633 30.938 30.300 0.010 0.000 1.055 464 R HN 0.946 nan 8.270 nan 0.000 0.537 465 D N -3.160 117.226 120.400 -0.024 0.000 2.838 465 D HA 0.033 4.675 4.640 0.003 0.000 0.334 465 D C 0.630 176.862 176.300 -0.112 0.000 1.315 465 D CA -0.734 53.231 54.000 -0.059 0.000 0.917 465 D CB 0.543 41.311 40.800 -0.055 0.000 1.435 465 D HN -0.308 nan 8.370 nan 0.000 0.517 466 V N 0.130 119.925 119.914 -0.199 0.000 2.332 466 V HA -0.172 3.950 4.120 0.003 0.000 0.248 466 V C 2.489 178.439 176.094 -0.239 0.000 1.055 466 V CA 2.749 64.825 62.300 -0.374 0.000 1.038 466 V CB -1.179 30.239 31.823 -0.674 0.000 0.651 466 V HN 0.763 nan 8.190 nan 0.000 0.450 467 A N -0.501 122.237 122.820 -0.136 0.000 2.019 467 A HA -0.224 4.097 4.320 0.003 0.000 0.219 467 A C 1.905 179.499 177.584 0.018 0.000 1.164 467 A CA 1.703 53.720 52.037 -0.033 0.000 0.644 467 A CB -0.534 18.427 19.000 -0.066 0.000 0.805 467 A HN 0.539 nan 8.150 nan 0.000 0.449 468 D N 0.074 120.489 120.400 0.024 0.000 2.309 468 D HA -0.081 4.561 4.640 0.003 0.000 0.212 468 D C 1.755 178.050 176.300 -0.008 0.000 0.968 468 D CA 0.629 54.673 54.000 0.074 0.000 0.882 468 D CB -0.176 40.658 40.800 0.057 0.000 0.918 468 D HN 0.514 nan 8.370 nan 0.000 0.503 469 L N -0.526 120.634 121.223 -0.105 0.000 2.093 469 L HA -0.179 4.163 4.340 0.003 0.000 0.208 469 L C 2.045 178.722 176.870 -0.321 0.000 1.085 469 L CA 0.970 55.662 54.840 -0.247 0.000 0.755 469 L CB -0.539 41.273 42.059 -0.413 0.000 0.904 469 L HN 0.073 nan 8.230 nan 0.000 0.435 470 Y N -1.597 118.590 120.300 -0.190 0.000 2.509 470 Y HA -0.110 4.442 4.550 0.003 0.000 0.293 470 Y C 2.301 178.066 175.900 -0.224 0.000 1.133 470 Y CA 0.675 58.638 58.100 -0.229 0.000 1.283 470 Y CB -0.366 37.904 38.460 -0.317 0.000 1.001 470 Y HN 0.213 nan 8.280 nan 0.000 0.555 471 H N -1.296 117.827 119.070 0.088 0.000 2.539 471 H HA 0.132 4.690 4.556 0.003 0.000 0.269 471 H C 1.122 176.457 175.328 0.012 0.000 0.980 471 H CA 0.230 56.305 56.048 0.044 0.000 1.152 471 H CB 0.342 30.122 29.762 0.031 0.000 1.407 471 H HN 0.252 nan 8.280 nan 0.000 0.564 472 L N 0.500 121.763 121.223 0.068 0.000 2.627 472 L HA 0.107 4.449 4.340 0.003 0.000 0.232 472 L C 1.960 178.841 176.870 0.018 0.000 1.150 472 L CA 0.460 55.315 54.840 0.025 0.000 0.917 472 L CB -0.300 41.745 42.059 -0.023 0.000 1.104 472 L HN -0.002 nan 8.230 nan 0.000 0.445 473 R N 0.119 120.643 120.500 0.039 0.000 2.174 473 R HA -0.193 4.149 4.340 0.003 0.000 0.253 473 R C 0.451 176.766 176.300 0.025 0.000 1.165 473 R CA 1.128 57.248 56.100 0.034 0.000 0.984 473 R CB -0.380 29.955 30.300 0.059 0.000 0.873 473 R HN 0.345 nan 8.270 nan 0.000 0.456 474 K N 1.367 121.783 120.400 0.027 0.000 2.338 474 K HA -0.005 4.317 4.320 0.003 0.000 0.290 474 K C 0.298 176.904 176.600 0.010 0.000 1.069 474 K CA 0.078 56.375 56.287 0.018 0.000 0.941 474 K CB 0.907 33.418 32.500 0.018 0.000 1.023 474 K HN 0.096 nan 8.250 nan 0.000 0.477 475 E N 1.375 121.580 120.200 0.008 0.000 2.478 475 E HA -0.162 4.190 4.350 0.003 0.000 0.198 475 E C 0.834 177.437 176.600 0.004 0.000 1.046 475 E CA 0.616 57.019 56.400 0.003 0.000 0.870 475 E CB 0.058 29.760 29.700 0.003 0.000 0.818 475 E HN 0.555 nan 8.360 nan 0.000 0.527 476 D N 0.023 120.426 120.400 0.006 0.000 2.218 476 D HA -0.121 4.521 4.640 0.003 0.000 0.204 476 D C 1.382 177.685 176.300 0.004 0.000 0.976 476 D CA 0.820 54.823 54.000 0.005 0.000 0.853 476 D CB 0.180 40.984 40.800 0.006 0.000 0.939 476 D HN 0.160 nan 8.370 nan 0.000 0.481 477 L N -0.465 120.761 121.223 0.005 0.000 2.131 477 L HA 0.005 4.347 4.340 0.003 0.000 0.206 477 L C 2.127 178.999 176.870 0.002 0.000 1.087 477 L CA 0.471 55.313 54.840 0.004 0.000 0.767 477 L CB -0.232 41.831 42.059 0.006 0.000 0.917 477 L HN 0.101 nan 8.230 nan 0.000 0.441 478 L N -0.104 121.119 121.223 0.000 0.000 2.492 478 L HA 0.069 4.411 4.340 0.003 0.000 0.223 478 L C 1.519 178.389 176.870 0.000 0.000 1.132 478 L CA 0.187 55.026 54.840 -0.002 0.000 0.850 478 L CB -0.509 41.547 42.059 -0.006 0.000 0.966 478 L HN 0.247 nan 8.230 nan 0.000 0.454 479 G N -0.209 108.592 108.800 0.001 0.000 3.717 479 G HA2 0.419 4.380 3.960 0.003 0.000 0.258 479 G HA3 0.419 4.380 3.960 0.003 0.000 0.258 479 G C 0.630 175.531 174.900 0.002 0.000 1.088 479 G CA -0.117 44.984 45.100 0.002 0.000 1.737 479 G HN 0.240 nan 8.290 nan 0.000 0.648 480 L N -1.278 119.946 121.223 0.003 0.000 3.712 480 L HA 0.211 4.553 4.340 0.003 0.000 0.357 480 L C -0.041 176.831 176.870 0.003 0.000 1.071 480 L CA 0.119 54.961 54.840 0.003 0.000 1.346 480 L CB 0.780 42.840 42.059 0.003 0.000 1.923 480 L HN 0.096 nan 8.230 nan 0.000 0.621 481 E N 1.016 121.219 120.200 0.004 0.000 2.373 481 E HA 0.377 4.729 4.350 0.003 0.000 0.233 481 E C -0.065 176.538 176.600 0.006 0.000 1.035 481 E CA -0.268 56.135 56.400 0.006 0.000 0.930 481 E CB 0.644 30.348 29.700 0.008 0.000 1.278 481 E HN 0.072 nan 8.360 nan 0.000 0.452 482 R N -0.005 120.498 120.500 0.005 0.000 3.953 482 R HA -0.226 4.116 4.340 0.003 0.000 0.448 482 R C -0.062 176.241 176.300 0.005 0.000 1.016 482 R CA 1.242 57.345 56.100 0.005 0.000 1.398 482 R CB -1.485 28.820 30.300 0.007 0.000 2.021 482 R HN 0.412 nan 8.270 nan 0.000 0.538 483 M N -0.241 119.362 119.600 0.004 0.000 2.472 483 M HA 0.447 4.929 4.480 0.003 0.000 0.331 483 M C 0.698 177.000 176.300 0.003 0.000 1.170 483 M CA -0.044 55.258 55.300 0.003 0.000 1.009 483 M CB 2.124 34.725 32.600 0.002 0.000 1.672 483 M HN 0.191 nan 8.290 nan 0.000 0.453 484 G N 1.159 109.960 108.800 0.002 0.000 4.566 484 G HA2 0.435 4.397 3.960 0.003 0.000 0.276 484 G HA3 0.435 4.397 3.960 0.003 0.000 0.276 484 G C 0.108 175.010 174.900 0.002 0.000 1.248 484 G CA -0.282 44.819 45.100 0.002 0.000 0.858 484 G HN 0.999 nan 8.290 nan 0.000 0.549 485 E N -0.713 119.488 120.200 0.002 0.000 4.934 485 E HA -0.352 4.000 4.350 0.003 0.000 0.166 485 E C 1.661 178.263 176.600 0.002 0.000 1.091 485 E CA 1.894 58.295 56.400 0.002 0.000 2.341 485 E CB -0.706 28.995 29.700 0.003 0.000 1.744 485 E HN 0.485 nan 8.360 nan 0.000 0.492 486 K N 0.649 121.051 120.400 0.002 0.000 2.097 486 K HA -0.036 4.286 4.320 0.003 0.000 0.205 486 K C 2.122 178.723 176.600 0.002 0.000 1.050 486 K CA 1.710 57.999 56.287 0.002 0.000 0.938 486 K CB -0.045 32.456 32.500 0.003 0.000 0.718 486 K HN 0.119 nan 8.250 nan 0.000 0.442 487 S N -0.825 114.875 115.700 0.002 0.000 2.486 487 S HA 0.131 4.602 4.470 0.003 0.000 0.220 487 S C 1.687 176.286 174.600 -0.001 0.000 1.011 487 S CA 0.559 58.760 58.200 0.001 0.000 0.921 487 S CB 0.079 63.280 63.200 0.002 0.000 0.785 487 S HN 0.411 nan 8.310 nan 0.000 0.517 488 A N 1.454 124.273 122.820 -0.001 0.000 1.840 488 A HA -0.047 4.275 4.320 0.003 0.000 0.214 488 A C 2.074 179.656 177.584 -0.004 0.000 1.198 488 A CA 1.394 53.429 52.037 -0.003 0.000 0.608 488 A CB -0.899 18.100 19.000 -0.001 0.000 0.839 488 A HN 0.630 nan 8.150 nan 0.000 0.443 489 Q N -0.414 119.386 119.800 -0.001 0.000 2.181 489 Q HA -0.189 4.152 4.340 0.003 0.000 0.205 489 Q C 2.024 178.024 176.000 -0.000 0.000 0.980 489 Q CA 1.325 57.129 55.803 0.001 0.000 0.862 489 Q CB -0.270 28.470 28.738 0.003 0.000 0.905 489 Q HN 0.666 nan 8.270 nan 0.000 0.429 490 N N 0.811 119.510 118.700 -0.001 0.000 2.166 490 N HA -0.143 4.598 4.740 0.003 0.000 0.186 490 N C 1.630 177.137 175.510 -0.005 0.000 1.019 490 N CA 0.876 53.925 53.050 -0.001 0.000 0.856 490 N CB 0.028 38.515 38.487 -0.000 0.000 0.993 490 N HN 0.269 nan 8.380 nan 0.000 0.426 491 L N 0.406 121.623 121.223 -0.010 0.000 2.270 491 L HA 0.035 4.377 4.340 0.003 0.000 0.210 491 L C 2.183 179.035 176.870 -0.030 0.000 1.104 491 L CA 0.284 55.111 54.840 -0.020 0.000 0.804 491 L CB -0.152 41.894 42.059 -0.023 0.000 0.937 491 L HN 0.117 nan 8.230 nan 0.000 0.450 492 L N 1.019 122.228 121.223 -0.022 0.000 2.083 492 L HA -0.209 4.133 4.340 0.003 0.000 0.209 492 L C 2.739 179.601 176.870 -0.015 0.000 1.083 492 L CA 2.195 57.021 54.840 -0.024 0.000 0.752 492 L CB -0.738 41.315 42.059 -0.009 0.000 0.899 492 L HN 0.511 nan 8.230 nan 0.000 0.433 493 R N -1.209 119.290 120.500 -0.002 0.000 2.153 493 R HA -0.109 4.232 4.340 0.003 0.000 0.218 493 R C 1.884 178.193 176.300 0.014 0.000 1.072 493 R CA 0.723 56.831 56.100 0.014 0.000 0.990 493 R CB -0.395 29.915 30.300 0.018 0.000 0.889 493 R HN 0.421 nan 8.270 nan 0.000 0.452 494 Q N 0.958 120.755 119.800 -0.005 0.000 2.083 494 Q HA 0.002 4.344 4.340 0.003 0.000 0.198 494 Q C 2.204 178.188 176.000 -0.026 0.000 0.969 494 Q CA 1.369 57.167 55.803 -0.009 0.000 0.838 494 Q CB -0.024 28.703 28.738 -0.019 0.000 0.900 494 Q HN 0.416 nan 8.270 nan 0.000 0.436 495 I N 0.706 121.230 120.570 -0.078 0.000 2.361 495 I HA -0.252 3.920 4.170 0.003 0.000 0.251 495 I C 2.289 178.366 176.117 -0.066 0.000 1.133 495 I CA 0.939 62.124 61.300 -0.191 0.000 1.413 495 I CB -0.120 37.689 38.000 -0.319 0.000 1.073 495 I HN 0.229 nan 8.210 nan 0.000 0.424 496 E N 1.570 121.777 120.200 0.011 0.000 2.028 496 E HA -0.206 4.146 4.350 0.003 0.000 0.190 496 E C 1.951 178.607 176.600 0.094 0.000 0.984 496 E CA 1.492 57.940 56.400 0.080 0.000 0.800 496 E CB -0.070 29.672 29.700 0.070 0.000 0.758 496 E HN 0.379 nan 8.360 nan 0.000 0.448 497 E N 0.029 120.294 120.200 0.109 0.000 2.160 497 E HA -0.195 4.157 4.350 0.003 0.000 0.195 497 E C 2.023 178.706 176.600 0.138 0.000 0.991 497 E CA 1.357 57.863 56.400 0.177 0.000 0.810 497 E CB -0.225 29.542 29.700 0.112 0.000 0.742 497 E HN 0.381 nan 8.360 nan 0.000 0.466 498 S N 1.122 116.872 115.700 0.083 0.000 2.419 498 S HA -0.175 4.297 4.470 0.003 0.000 0.233 498 S C 1.686 176.317 174.600 0.052 0.000 1.016 498 S CA 0.883 59.123 58.200 0.066 0.000 0.974 498 S CB -0.146 63.098 63.200 0.073 0.000 0.786 498 S HN 0.150 nan 8.310 nan 0.000 0.492 499 K N 0.607 121.008 120.400 0.002 0.000 2.113 499 K HA -0.149 4.173 4.320 0.003 0.000 0.208 499 K C 1.797 178.215 176.600 -0.304 0.000 1.047 499 K CA 1.664 57.821 56.287 -0.216 0.000 0.928 499 K CB -0.408 31.835 32.500 -0.427 0.000 0.716 499 K HN 0.641 nan 8.250 nan 0.000 0.446 500 H N 0.616 119.701 119.070 0.024 0.000 2.555 500 H HA 0.062 4.620 4.556 0.003 0.000 0.269 500 H C 0.316 175.642 175.328 -0.002 0.000 0.988 500 H CA 0.299 56.351 56.048 0.006 0.000 1.178 500 H CB 0.121 29.888 29.762 0.009 0.000 1.373 500 H HN 0.011 nan 8.280 nan 0.000 0.588 501 R N 1.364 121.898 120.500 0.057 0.000 2.590 501 R HA 0.167 4.509 4.340 0.003 0.000 0.274 501 R C 1.010 177.321 176.300 0.019 0.000 1.061 501 R CA -0.112 56.003 56.100 0.025 0.000 1.081 501 R CB 0.117 30.402 30.300 -0.025 0.000 0.984 501 R HN 0.176 nan 8.270 nan 0.000 0.448 502 G N 0.890 109.705 108.800 0.024 0.000 2.588 502 G HA2 0.155 4.117 3.960 0.003 0.000 0.278 502 G HA3 0.155 4.117 3.960 0.003 0.000 0.278 502 G C 1.116 176.032 174.900 0.026 0.000 1.307 502 G CA -0.769 44.347 45.100 0.026 0.000 1.016 502 G HN 0.542 nan 8.290 nan 0.000 0.503 503 L N -0.649 120.597 121.223 0.038 0.000 2.129 503 L HA -0.156 4.186 4.340 0.003 0.000 0.212 503 L C 2.927 179.835 176.870 0.063 0.000 1.087 503 L CA 1.758 56.630 54.840 0.053 0.000 0.757 503 L CB -0.250 41.850 42.059 0.068 0.000 0.896 503 L HN 0.652 nan 8.230 nan 0.000 0.434 504 E N -0.247 119.985 120.200 0.054 0.000 2.023 504 E HA -0.238 4.113 4.350 0.003 0.000 0.196 504 E C 2.211 178.852 176.600 0.068 0.000 1.003 504 E CA 1.483 57.916 56.400 0.055 0.000 0.809 504 E CB -0.154 29.565 29.700 0.033 0.000 0.755 504 E HN 0.359 nan 8.360 nan 0.000 0.449 505 R N 0.048 120.577 120.500 0.048 0.000 2.189 505 R HA 0.047 4.389 4.340 0.003 0.000 0.218 505 R C 2.198 178.510 176.300 0.019 0.000 1.074 505 R CA 0.363 56.495 56.100 0.053 0.000 0.991 505 R CB -0.120 30.186 30.300 0.010 0.000 0.883 505 R HN 0.179 nan 8.270 nan 0.000 0.457 506 L N 0.748 121.980 121.223 0.016 0.000 2.179 506 L HA -0.046 4.296 4.340 0.003 0.000 0.208 506 L C 1.795 178.705 176.870 0.067 0.000 1.096 506 L CA 1.396 56.242 54.840 0.009 0.000 0.779 506 L CB -0.192 41.882 42.059 0.025 0.000 0.922 506 L HN 0.258 nan 8.230 nan 0.000 0.443 507 L N -1.351 119.934 121.223 0.102 0.000 2.109 507 L HA -0.243 4.099 4.340 0.003 0.000 0.207 507 L C 2.471 179.436 176.870 0.158 0.000 1.086 507 L CA 0.885 55.809 54.840 0.139 0.000 0.760 507 L CB -0.616 41.520 42.059 0.129 0.000 0.910 507 L HN 0.232 nan 8.230 nan 0.000 0.437 508 Y N 0.594 120.899 120.300 0.009 0.000 2.373 508 Y HA -0.127 4.425 4.550 0.003 0.000 0.293 508 Y C 2.275 178.100 175.900 -0.125 0.000 1.129 508 Y CA 0.646 58.736 58.100 -0.016 0.000 1.226 508 Y CB -0.221 38.214 38.460 -0.041 0.000 1.000 508 Y HN 0.092 nan 8.280 nan 0.000 0.549 509 A N -0.284 122.363 122.820 -0.287 0.000 1.874 509 A HA -0.045 4.277 4.320 0.003 0.000 0.214 509 A C 1.680 179.219 177.584 -0.075 0.000 1.189 509 A CA 1.279 53.080 52.037 -0.394 0.000 0.615 509 A CB -0.902 17.891 19.000 -0.345 0.000 0.830 509 A HN 0.317 nan 8.150 nan 0.000 0.443 510 L N 0.633 121.920 121.223 0.106 0.000 2.711 510 L HA 0.159 4.501 4.340 0.003 0.000 0.242 510 L C 1.489 178.480 176.870 0.202 0.000 1.153 510 L CA 0.482 55.440 54.840 0.197 0.000 0.898 510 L CB -1.656 40.569 42.059 0.276 0.000 1.044 510 L HN 0.489 nan 8.230 nan 0.000 0.437 511 G N 0.595 109.496 108.800 0.170 0.000 2.196 511 G HA2 -0.270 3.692 3.960 0.003 0.000 0.261 511 G HA3 -0.270 3.692 3.960 0.003 0.000 0.261 511 G C 0.119 175.097 174.900 0.130 0.000 0.832 511 G CA -0.021 45.203 45.100 0.207 0.000 1.246 511 G HN 0.232 nan 8.290 nan 0.000 0.383 512 L N 2.674 123.959 121.223 0.102 0.000 2.466 512 L HA 0.423 4.765 4.340 0.003 0.000 0.257 512 L C -1.129 175.745 176.870 0.007 0.000 1.189 512 L CA -1.917 52.929 54.840 0.009 0.000 0.813 512 L CB 0.210 42.231 42.059 -0.062 0.000 1.118 512 L HN 0.184 nan 8.230 nan 0.000 0.471 513 P HA 0.039 nan 4.420 nan 0.000 0.257 513 P C 0.739 178.033 177.300 -0.009 0.000 1.227 513 P CA 0.994 64.079 63.100 -0.026 0.000 0.981 513 P CB 0.297 31.965 31.700 -0.054 0.000 1.044 514 G N 2.718 111.529 108.800 0.018 0.000 2.284 514 G HA2 -0.282 3.679 3.960 0.003 0.000 0.230 514 G HA3 -0.282 3.679 3.960 0.003 0.000 0.230 514 G C 0.154 175.088 174.900 0.057 0.000 1.021 514 G CA -0.074 45.044 45.100 0.029 0.000 0.619 514 G HN 0.603 nan 8.290 nan 0.000 0.510 515 V N 3.244 123.198 119.914 0.068 0.000 2.450 515 V HA 0.467 4.589 4.120 0.003 0.000 0.264 515 V C 1.401 177.596 176.094 0.169 0.000 0.996 515 V CA 1.175 63.534 62.300 0.099 0.000 1.138 515 V CB -0.187 31.694 31.823 0.096 0.000 1.051 515 V HN 1.068 nan 8.190 nan 0.000 0.470 516 G N 4.228 113.095 108.800 0.113 0.000 2.535 516 G HA2 0.158 4.120 3.960 0.003 0.000 0.282 516 G HA3 0.158 4.120 3.960 0.003 0.000 0.282 516 G C 0.591 175.472 174.900 -0.031 0.000 1.350 516 G CA 0.276 45.432 45.100 0.093 0.000 1.039 516 G HN 0.734 nan 8.290 nan 0.000 0.509 517 E N -1.620 118.396 120.200 -0.306 0.000 2.077 517 E HA -0.153 4.199 4.350 0.003 0.000 0.193 517 E C 2.341 178.805 176.600 -0.228 0.000 0.989 517 E CA 1.385 57.445 56.400 -0.567 0.000 0.800 517 E CB -0.031 29.312 29.700 -0.595 0.000 0.746 517 E HN 0.213 nan 8.360 nan 0.000 0.452 518 V N 0.855 120.692 119.914 -0.128 0.000 2.446 518 V HA -0.115 4.007 4.120 0.003 0.000 0.244 518 V C 2.151 178.233 176.094 -0.021 0.000 1.039 518 V CA 0.820 63.082 62.300 -0.063 0.000 1.045 518 V CB -0.075 31.721 31.823 -0.046 0.000 0.681 518 V HN 0.376 nan 8.190 nan 0.000 0.459 519 L N 0.624 121.845 121.223 -0.003 0.000 2.265 519 L HA -0.057 4.285 4.340 0.003 0.000 0.215 519 L C 2.402 179.302 176.870 0.051 0.000 1.117 519 L CA 2.367 57.223 54.840 0.028 0.000 0.782 519 L CB -1.225 40.856 42.059 0.037 0.000 0.914 519 L HN 0.475 nan 8.230 nan 0.000 0.441 520 A N -0.208 122.642 122.820 0.050 0.000 1.874 520 A HA -0.201 4.121 4.320 0.003 0.000 0.214 520 A C 2.450 180.074 177.584 0.068 0.000 1.189 520 A CA 1.208 53.293 52.037 0.080 0.000 0.615 520 A CB -0.444 18.624 19.000 0.113 0.000 0.830 520 A HN 0.388 nan 8.150 nan 0.000 0.443 521 R N -0.064 120.456 120.500 0.034 0.000 2.070 521 R HA -0.150 4.192 4.340 0.003 0.000 0.233 521 R C 1.772 178.095 176.300 0.038 0.000 1.137 521 R CA 1.938 58.055 56.100 0.028 0.000 0.945 521 R CB -0.396 29.904 30.300 -0.000 0.000 0.845 521 R HN 0.553 nan 8.270 nan 0.000 0.430 522 N N -0.070 118.649 118.700 0.031 0.000 2.348 522 N HA -0.159 4.583 4.740 0.003 0.000 0.185 522 N C 1.175 176.723 175.510 0.063 0.000 1.019 522 N CA 0.765 53.833 53.050 0.030 0.000 0.880 522 N CB -0.005 38.495 38.487 0.021 0.000 0.965 522 N HN 0.149 nan 8.380 nan 0.000 0.437 523 L N -0.379 120.910 121.223 0.109 0.000 2.202 523 L HA 0.265 4.607 4.340 0.003 0.000 0.205 523 L C 1.950 178.992 176.870 0.286 0.000 1.083 523 L CA 0.732 55.703 54.840 0.219 0.000 0.790 523 L CB -0.574 41.591 42.059 0.177 0.000 0.942 523 L HN 0.090 nan 8.230 nan 0.000 0.452 524 A N -0.593 122.328 122.820 0.168 0.000 1.897 524 A HA -0.137 4.184 4.320 0.003 0.000 0.215 524 A C 2.369 180.021 177.584 0.113 0.000 1.181 524 A CA 1.204 53.331 52.037 0.151 0.000 0.620 524 A CB -0.378 18.680 19.000 0.097 0.000 0.821 524 A HN 0.367 nan 8.150 nan 0.000 0.443 525 R N -0.949 119.586 120.500 0.059 0.000 2.081 525 R HA -0.111 4.231 4.340 0.003 0.000 0.235 525 R C 2.235 178.512 176.300 -0.038 0.000 1.131 525 R CA 1.540 57.647 56.100 0.012 0.000 0.960 525 R CB -0.245 30.051 30.300 -0.007 0.000 0.856 525 R HN 0.378 nan 8.270 nan 0.000 0.436 526 R N 0.024 120.468 120.500 -0.093 0.000 2.339 526 R HA -0.032 4.310 4.340 0.003 0.000 0.199 526 R C 0.473 176.388 176.300 -0.642 0.000 1.018 526 R CA 1.262 57.152 56.100 -0.351 0.000 1.036 526 R CB -0.003 30.041 30.300 -0.426 0.000 0.899 526 R HN 0.217 nan 8.270 nan 0.000 0.473 527 F N -3.168 116.790 119.950 0.012 0.000 2.876 527 F HA 0.315 4.843 4.527 0.003 0.000 0.344 527 F C 1.779 177.588 175.800 0.016 0.000 1.029 527 F CA 0.219 58.228 58.000 0.015 0.000 1.154 527 F CB 0.733 39.744 39.000 0.019 0.000 1.040 527 F HN 0.134 nan 8.300 nan 0.000 0.576 528 G N 0.942 109.836 108.800 0.155 0.000 2.934 528 G HA2 -0.353 3.609 3.960 0.003 0.000 0.231 528 G HA3 -0.353 3.609 3.960 0.003 0.000 0.231 528 G C 0.499 175.459 174.900 0.101 0.000 1.235 528 G CA 1.043 46.203 45.100 0.099 0.000 0.812 528 G HN 0.557 nan 8.290 nan 0.000 0.521 529 T N -3.652 110.975 114.554 0.122 0.000 2.903 529 T HA 0.633 4.985 4.350 0.003 0.000 0.299 529 T C 0.886 175.633 174.700 0.079 0.000 1.093 529 T CA 0.346 62.497 62.100 0.084 0.000 1.002 529 T CB 1.828 70.733 68.868 0.062 0.000 1.127 529 T HN 0.558 nan 8.240 nan 0.000 0.488 530 M N 1.285 120.917 119.600 0.053 0.000 2.149 530 M HA -0.061 4.421 4.480 0.003 0.000 0.261 530 M C 1.477 177.796 176.300 0.031 0.000 1.064 530 M CA 1.817 57.144 55.300 0.045 0.000 1.102 530 M CB -1.073 31.549 32.600 0.037 0.000 1.369 530 M HN 0.744 nan 8.290 nan 0.000 0.408 531 D N -0.699 119.720 120.400 0.031 0.000 2.084 531 D HA -0.205 4.437 4.640 0.003 0.000 0.194 531 D C 2.032 178.347 176.300 0.026 0.000 0.990 531 D CA 1.450 55.466 54.000 0.026 0.000 0.826 531 D CB -0.266 40.550 40.800 0.027 0.000 0.971 531 D HN 0.254 nan 8.370 nan 0.000 0.453 532 R N 1.227 121.759 120.500 0.054 0.000 2.094 532 R HA -0.157 4.185 4.340 0.003 0.000 0.239 532 R C 2.294 178.602 176.300 0.012 0.000 1.137 532 R CA 0.987 57.144 56.100 0.094 0.000 0.943 532 R CB -1.133 29.279 30.300 0.187 0.000 0.850 532 R HN 0.152 nan 8.270 nan 0.000 0.433 533 L N 0.524 121.672 121.223 -0.125 0.000 2.043 533 L HA -0.095 4.247 4.340 0.003 0.000 0.212 533 L C 1.945 178.619 176.870 -0.326 0.000 1.075 533 L CA 1.787 56.299 54.840 -0.545 0.000 0.752 533 L CB -0.658 41.136 42.059 -0.442 0.000 0.891 533 L HN 0.345 nan 8.230 nan 0.000 0.432 534 L N -0.621 120.527 121.223 -0.126 0.000 2.447 534 L HA -0.130 4.212 4.340 0.003 0.000 0.225 534 L C 1.563 178.401 176.870 -0.053 0.000 1.148 534 L CA 0.680 55.485 54.840 -0.057 0.000 0.808 534 L CB -0.405 41.666 42.059 0.018 0.000 0.928 534 L HN 0.333 nan 8.230 nan 0.000 0.448 535 E N -0.060 120.108 120.200 -0.053 0.000 2.548 535 E HA 0.239 4.591 4.350 0.003 0.000 0.206 535 E C 0.397 176.992 176.600 -0.007 0.000 1.005 535 E CA -0.104 56.288 56.400 -0.013 0.000 0.951 535 E CB 0.530 30.242 29.700 0.020 0.000 1.035 535 E HN 0.222 nan 8.360 nan 0.000 0.470 536 A N 1.435 124.207 122.820 -0.079 0.000 2.462 536 A HA 0.303 4.624 4.320 0.003 0.000 0.243 536 A C 0.795 178.381 177.584 0.004 0.000 1.076 536 A CA -0.112 51.906 52.037 -0.032 0.000 0.773 536 A CB 0.265 19.099 19.000 -0.277 0.000 1.010 536 A HN 0.160 nan 8.150 nan 0.000 0.493 537 S N 1.831 117.568 115.700 0.062 0.000 2.693 537 S HA 0.400 4.872 4.470 0.003 0.000 0.276 537 S C 0.979 175.604 174.600 0.042 0.000 1.192 537 S CA -0.406 57.818 58.200 0.041 0.000 0.994 537 S CB 0.742 63.970 63.200 0.047 0.000 1.012 537 S HN 0.916 nan 8.310 nan 0.000 0.550 538 L N 1.199 122.436 121.223 0.023 0.000 2.012 538 L HA -0.054 4.287 4.340 0.003 0.000 0.210 538 L C 2.252 179.144 176.870 0.037 0.000 1.073 538 L CA 2.069 56.921 54.840 0.020 0.000 0.748 538 L CB -1.587 40.477 42.059 0.008 0.000 0.891 538 L HN 0.867 nan 8.230 nan 0.000 0.431 539 E N -0.003 120.219 120.200 0.038 0.000 2.049 539 E HA -0.252 4.099 4.350 0.003 0.000 0.198 539 E C 2.033 178.668 176.600 0.059 0.000 1.007 539 E CA 1.922 58.346 56.400 0.039 0.000 0.809 539 E CB -0.390 29.328 29.700 0.030 0.000 0.749 539 E HN 0.609 nan 8.360 nan 0.000 0.450 540 E N 0.359 120.614 120.200 0.093 0.000 2.160 540 E HA -0.182 4.169 4.350 0.003 0.000 0.195 540 E C 2.077 178.801 176.600 0.207 0.000 0.991 540 E CA 0.865 57.351 56.400 0.142 0.000 0.810 540 E CB -0.191 29.655 29.700 0.243 0.000 0.742 540 E HN 0.265 nan 8.360 nan 0.000 0.466 541 L N 0.433 121.770 121.223 0.191 0.000 2.095 541 L HA -0.097 4.245 4.340 0.003 0.000 0.204 541 L C 2.413 179.343 176.870 0.100 0.000 1.080 541 L CA 0.707 55.651 54.840 0.174 0.000 0.759 541 L CB -0.265 41.845 42.059 0.085 0.000 0.914 541 L HN 0.122 nan 8.230 nan 0.000 0.439 542 I N -0.094 120.514 120.570 0.062 0.000 2.226 542 I HA -0.260 3.912 4.170 0.003 0.000 0.245 542 I C 2.163 178.299 176.117 0.031 0.000 1.100 542 I CA 1.296 62.618 61.300 0.037 0.000 1.374 542 I CB -0.419 37.595 38.000 0.024 0.000 1.057 542 I HN 0.279 nan 8.210 nan 0.000 0.413 543 E N 0.528 120.746 120.200 0.029 0.000 2.396 543 E HA -0.102 4.250 4.350 0.003 0.000 0.200 543 E C 0.459 177.060 176.600 0.001 0.000 1.023 543 E CA 0.386 56.791 56.400 0.008 0.000 0.857 543 E CB -0.029 29.668 29.700 -0.004 0.000 0.775 543 E HN 0.284 nan 8.360 nan 0.000 0.525 544 V N 1.826 121.753 119.914 0.023 0.000 2.732 544 V HA -0.000 4.122 4.120 0.003 0.000 0.297 544 V C 0.506 176.611 176.094 0.018 0.000 1.060 544 V CA -0.396 61.916 62.300 0.020 0.000 1.038 544 V CB 1.402 33.265 31.823 0.067 0.000 1.003 544 V HN 0.121 nan 8.190 nan 0.000 0.481 545 E N 2.846 123.051 120.200 0.009 0.000 2.417 545 E HA 0.026 4.378 4.350 0.003 0.000 0.261 545 E C 0.469 177.076 176.600 0.013 0.000 1.000 545 E CA 0.489 56.894 56.400 0.007 0.000 0.919 545 E CB 0.116 29.817 29.700 0.000 0.000 0.955 545 E HN 0.791 nan 8.360 nan 0.000 0.455 546 E N 0.726 120.932 120.200 0.011 0.000 4.071 546 E HA -0.195 4.157 4.350 0.003 0.000 0.355 546 E C -0.606 176.003 176.600 0.015 0.000 0.653 546 E CA 0.634 57.041 56.400 0.011 0.000 1.298 546 E CB -0.881 28.825 29.700 0.010 0.000 1.712 546 E HN 0.312 nan 8.360 nan 0.000 0.416 547 V N 1.605 121.532 119.914 0.020 0.000 2.389 547 V HA 0.392 4.514 4.120 0.003 0.000 0.264 547 V C 1.120 177.223 176.094 0.015 0.000 1.049 547 V CA 0.600 62.914 62.300 0.023 0.000 0.932 547 V CB 1.033 32.879 31.823 0.038 0.000 1.011 547 V HN 0.271 nan 8.190 nan 0.000 0.475 548 G N 2.912 111.717 108.800 0.008 0.000 2.588 548 G HA2 0.256 4.218 3.960 0.003 0.000 0.281 548 G HA3 0.256 4.218 3.960 0.003 0.000 0.281 548 G C 0.703 175.604 174.900 0.001 0.000 1.236 548 G CA -0.179 44.923 45.100 0.003 0.000 0.969 548 G HN 0.730 nan 8.290 nan 0.000 0.504 549 E N -0.655 119.544 120.200 -0.002 0.000 2.106 549 E HA -0.125 4.226 4.350 0.003 0.000 0.192 549 E C 2.260 178.854 176.600 -0.011 0.000 0.984 549 E CA 0.530 56.928 56.400 -0.004 0.000 0.806 549 E CB -0.049 29.648 29.700 -0.005 0.000 0.750 549 E HN 0.302 nan 8.360 nan 0.000 0.458 550 L N 0.848 122.063 121.223 -0.014 0.000 2.109 550 L HA -0.100 4.242 4.340 0.003 0.000 0.207 550 L C 2.523 179.378 176.870 -0.024 0.000 1.086 550 L CA 2.188 57.015 54.840 -0.022 0.000 0.760 550 L CB -0.417 41.628 42.059 -0.023 0.000 0.910 550 L HN 0.292 nan 8.230 nan 0.000 0.437 551 T N -4.442 110.102 114.554 -0.017 0.000 3.067 551 T HA 0.160 4.512 4.350 0.003 0.000 0.257 551 T C 1.755 176.442 174.700 -0.021 0.000 1.105 551 T CA 0.518 62.607 62.100 -0.019 0.000 1.104 551 T CB -0.243 68.620 68.868 -0.008 0.000 0.925 551 T HN 0.234 nan 8.240 nan 0.000 0.498 552 A N 2.173 124.985 122.820 -0.014 0.000 1.855 552 A HA 0.163 4.485 4.320 0.003 0.000 0.213 552 A C 2.437 180.004 177.584 -0.028 0.000 1.195 552 A CA 1.060 53.089 52.037 -0.012 0.000 0.610 552 A CB -0.657 18.345 19.000 0.003 0.000 0.837 552 A HN 0.426 nan 8.150 nan 0.000 0.444 553 R N -0.487 119.997 120.500 -0.026 0.000 2.285 553 R HA -0.007 4.335 4.340 0.003 0.000 0.213 553 R C 1.941 178.214 176.300 -0.044 0.000 1.068 553 R CA 0.959 57.040 56.100 -0.031 0.000 1.004 553 R CB -0.223 30.062 30.300 -0.025 0.000 0.873 553 R HN 0.512 nan 8.270 nan 0.000 0.467 554 A N 0.681 123.470 122.820 -0.051 0.000 1.862 554 A HA -0.001 4.321 4.320 0.003 0.000 0.211 554 A C 1.972 179.501 177.584 -0.091 0.000 1.220 554 A CA 0.565 52.563 52.037 -0.064 0.000 0.616 554 A CB -0.336 18.629 19.000 -0.059 0.000 0.878 554 A HN 0.247 nan 8.150 nan 0.000 0.453 555 I N -0.355 120.158 120.570 -0.096 0.000 2.248 555 I HA -0.280 3.891 4.170 0.003 0.000 0.248 555 I C 2.463 178.481 176.117 -0.165 0.000 1.107 555 I CA 1.375 62.589 61.300 -0.143 0.000 1.373 555 I CB -0.302 37.628 38.000 -0.116 0.000 1.055 555 I HN 0.361 nan 8.210 nan 0.000 0.418 556 L N 0.870 122.025 121.223 -0.113 0.000 2.042 556 L HA -0.243 4.099 4.340 0.003 0.000 0.210 556 L C 2.355 179.169 176.870 -0.094 0.000 1.076 556 L CA 1.956 56.737 54.840 -0.098 0.000 0.749 556 L CB -0.436 41.587 42.059 -0.060 0.000 0.893 556 L HN 0.119 nan 8.230 nan 0.000 0.432 557 E N -1.411 118.740 120.200 -0.083 0.000 2.076 557 E HA -0.131 4.221 4.350 0.003 0.000 0.190 557 E C 2.103 178.657 176.600 -0.076 0.000 0.979 557 E CA 1.495 57.860 56.400 -0.058 0.000 0.807 557 E CB -0.212 29.467 29.700 -0.035 0.000 0.761 557 E HN 0.411 nan 8.360 nan 0.000 0.454 558 T N 0.841 115.307 114.554 -0.146 0.000 2.746 558 T HA -0.105 4.247 4.350 0.003 0.000 0.267 558 T C 1.747 176.244 174.700 -0.339 0.000 1.039 558 T CA 1.008 62.973 62.100 -0.226 0.000 1.142 558 T CB -0.214 68.454 68.868 -0.334 0.000 0.866 558 T HN 0.118 nan 8.240 nan 0.000 0.444 559 L N 0.271 121.278 121.223 -0.361 0.000 2.079 559 L HA -0.112 4.230 4.340 0.003 0.000 0.210 559 L C 2.374 179.224 176.870 -0.032 0.000 1.081 559 L CA 1.478 56.147 54.840 -0.285 0.000 0.752 559 L CB -0.399 41.533 42.059 -0.212 0.000 0.896 559 L HN 0.232 nan 8.230 nan 0.000 0.433 560 K N -0.911 119.473 120.400 -0.027 0.000 2.459 560 K HA -0.015 4.307 4.320 0.003 0.000 0.193 560 K C 0.373 177.011 176.600 0.063 0.000 1.030 560 K CA -0.162 56.140 56.287 0.024 0.000 1.026 560 K CB 0.003 32.505 32.500 0.004 0.000 0.809 560 K HN 0.116 nan 8.250 nan 0.000 0.504 561 D N 2.092 122.545 120.400 0.088 0.000 2.472 561 D HA -0.029 4.612 4.640 0.003 0.000 0.248 561 D C -1.471 174.919 176.300 0.150 0.000 1.174 561 D CA -1.513 52.571 54.000 0.141 0.000 0.883 561 D CB 1.176 42.088 40.800 0.187 0.000 1.149 561 D HN 0.001 nan 8.370 nan 0.000 0.488 562 P HA -0.166 nan 4.420 nan 0.000 0.220 562 P C 0.772 178.118 177.300 0.078 0.000 1.144 562 P CA 0.857 63.999 63.100 0.070 0.000 0.800 562 P CB 0.301 32.021 31.700 0.033 0.000 0.772 563 A N -1.115 121.774 122.820 0.116 0.000 1.935 563 A HA -0.047 4.275 4.320 0.003 0.000 0.214 563 A C 2.025 179.670 177.584 0.101 0.000 1.178 563 A CA 0.481 52.579 52.037 0.102 0.000 0.640 563 A CB -1.478 17.605 19.000 0.137 0.000 0.825 563 A HN 0.108 nan 8.150 nan 0.000 0.447 564 F N 0.730 120.695 119.950 0.026 0.000 2.113 564 F HA -0.105 4.424 4.527 0.003 0.000 0.297 564 F C 2.402 178.202 175.800 0.000 0.000 1.103 564 F CA 1.446 59.451 58.000 0.009 0.000 1.248 564 F CB -0.057 38.947 39.000 0.006 0.000 0.999 564 F HN 0.021 nan 8.300 nan 0.000 0.475 565 R N 0.651 121.221 120.500 0.116 0.000 2.096 565 R HA -0.234 4.107 4.340 0.003 0.000 0.240 565 R C 1.939 178.194 176.300 -0.074 0.000 1.139 565 R CA 1.964 58.078 56.100 0.024 0.000 0.952 565 R CB -1.387 28.950 30.300 0.061 0.000 0.854 565 R HN 0.403 nan 8.270 nan 0.000 0.436 566 D N 0.209 120.580 120.400 -0.049 0.000 2.092 566 D HA -0.175 4.467 4.640 0.003 0.000 0.193 566 D C 1.932 178.164 176.300 -0.112 0.000 0.994 566 D CA 1.078 55.043 54.000 -0.059 0.000 0.828 566 D CB -0.114 40.671 40.800 -0.026 0.000 0.963 566 D HN 0.048 nan 8.370 nan 0.000 0.450 567 L N -0.073 121.050 121.223 -0.167 0.000 2.042 567 L HA -0.118 4.224 4.340 0.003 0.000 0.210 567 L C 2.190 178.892 176.870 -0.280 0.000 1.076 567 L CA 1.371 56.080 54.840 -0.217 0.000 0.749 567 L CB -0.550 41.356 42.059 -0.255 0.000 0.893 567 L HN 0.063 nan 8.230 nan 0.000 0.432 568 V N -0.144 119.534 119.914 -0.394 0.000 2.270 568 V HA -0.287 3.835 4.120 0.003 0.000 0.245 568 V C 2.787 178.767 176.094 -0.190 0.000 1.043 568 V CA 2.129 64.224 62.300 -0.342 0.000 1.014 568 V CB -0.615 30.976 31.823 -0.386 0.000 0.645 568 V HN 0.521 nan 8.190 nan 0.000 0.447 569 R N -0.103 120.312 120.500 -0.141 0.000 2.094 569 R HA -0.197 4.145 4.340 0.003 0.000 0.239 569 R C 2.511 178.763 176.300 -0.080 0.000 1.137 569 R CA 1.941 57.989 56.100 -0.087 0.000 0.943 569 R CB -0.259 30.006 30.300 -0.058 0.000 0.850 569 R HN 0.402 nan 8.270 nan 0.000 0.433 570 R N -0.016 120.440 120.500 -0.075 0.000 2.193 570 R HA -0.112 4.230 4.340 0.003 0.000 0.229 570 R C 2.177 178.426 176.300 -0.084 0.000 1.110 570 R CA 1.022 57.101 56.100 -0.035 0.000 0.988 570 R CB -0.120 30.178 30.300 -0.003 0.000 0.871 570 R HN 0.301 nan 8.270 nan 0.000 0.458 571 L N 0.054 121.183 121.223 -0.155 0.000 2.249 571 L HA -0.046 4.296 4.340 0.003 0.000 0.207 571 L C 2.461 179.185 176.870 -0.242 0.000 1.090 571 L CA 0.843 55.534 54.840 -0.248 0.000 0.802 571 L CB -0.166 41.752 42.059 -0.235 0.000 0.947 571 L HN 0.051 nan 8.230 nan 0.000 0.453 572 K N 0.657 120.961 120.400 -0.160 0.000 2.002 572 K HA -0.211 4.111 4.320 0.003 0.000 0.209 572 K C 1.848 178.380 176.600 -0.113 0.000 1.048 572 K CA 1.668 57.880 56.287 -0.124 0.000 0.930 572 K CB -0.014 32.436 32.500 -0.082 0.000 0.714 572 K HN 0.267 nan 8.250 nan 0.000 0.438 573 E N -0.081 120.071 120.200 -0.081 0.000 2.171 573 E HA -0.202 4.150 4.350 0.003 0.000 0.197 573 E C 1.700 178.270 176.600 -0.051 0.000 0.997 573 E CA 1.098 57.472 56.400 -0.042 0.000 0.810 573 E CB -0.140 29.558 29.700 -0.003 0.000 0.738 573 E HN 0.449 nan 8.360 nan 0.000 0.467 574 A N 0.329 123.076 122.820 -0.122 0.000 2.239 574 A HA 0.183 4.505 4.320 0.003 0.000 0.209 574 A C 1.594 179.058 177.584 -0.200 0.000 1.171 574 A CA 0.849 52.780 52.037 -0.176 0.000 0.768 574 A CB -0.337 18.434 19.000 -0.381 0.000 0.790 574 A HN 0.335 nan 8.150 nan 0.000 0.478 575 G N -1.394 107.298 108.800 -0.181 0.000 2.165 575 G HA2 -0.141 3.820 3.960 0.003 0.000 0.226 575 G HA3 -0.141 3.820 3.960 0.003 0.000 0.226 575 G C -0.044 174.717 174.900 -0.231 0.000 1.035 575 G CA 0.002 45.007 45.100 -0.158 0.000 0.744 575 G HN 0.729 nan 8.290 nan 0.000 0.501 576 V N 0.846 120.585 119.914 -0.291 0.000 2.498 576 V HA 0.572 4.694 4.120 0.003 0.000 0.279 576 V C 1.289 177.288 176.094 -0.158 0.000 1.048 576 V CA 0.286 62.414 62.300 -0.286 0.000 0.967 576 V CB 1.653 33.267 31.823 -0.349 0.000 0.988 576 V HN 0.543 nan 8.190 nan 0.000 0.473 577 S N 5.420 121.052 115.700 -0.114 0.000 2.525 577 S HA 0.153 4.625 4.470 0.003 0.000 0.285 577 S C 0.885 175.468 174.600 -0.029 0.000 1.283 577 S CA -0.396 57.779 58.200 -0.043 0.000 1.072 577 S CB 0.069 63.273 63.200 0.006 0.000 0.867 577 S HN 0.617 nan 8.310 nan 0.000 0.492 578 M N 3.414 123.004 119.600 -0.017 0.000 2.453 578 M HA 0.261 4.743 4.480 0.003 0.000 0.239 578 M C 0.416 176.729 176.300 0.022 0.000 1.151 578 M CA 0.385 55.684 55.300 -0.002 0.000 0.989 578 M CB -0.652 31.943 32.600 -0.008 0.000 1.548 578 M HN 0.622 nan 8.290 nan 0.000 0.479 579 E N 0.106 120.321 120.200 0.025 0.000 2.285 579 E HA 0.370 4.722 4.350 0.003 0.000 0.254 579 E C -0.325 176.299 176.600 0.040 0.000 1.011 579 E CA -0.502 55.920 56.400 0.037 0.000 0.873 579 E CB 1.340 31.060 29.700 0.032 0.000 1.229 579 E HN -0.028 nan 8.360 nan 0.000 0.422 580 S N 0.832 116.558 115.700 0.043 0.000 2.523 580 S HA 0.129 4.601 4.470 0.003 0.000 0.275 580 S C 0.066 174.684 174.600 0.031 0.000 1.281 580 S CA -0.397 57.827 58.200 0.040 0.000 1.050 580 S CB 0.926 64.150 63.200 0.040 0.000 0.937 580 S HN 0.311 nan 8.310 nan 0.000 0.492 581 K N 0.000 120.417 120.400 0.028 0.000 2.780 581 K HA 0.000 4.322 4.320 0.003 0.000 0.191 581 K CA 0.000 56.301 56.287 0.024 0.000 0.838 581 K CB 0.000 32.515 32.500 0.025 0.000 1.064 581 K HN 0.000 nan 8.250 nan 0.000 0.543