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 3bg1_1_F DATA FIRST_RESID 130 DATA SEQUENCE DEIDNAKLIM KERRFTASYT FAKFSTGSML LTKDIVGKSG VSIKRLPTEL DATA SEQUENCE QRKFLFDDVY LDKEIEKVTI EARKSNPYPQ ISESSLLFKD ALDYMEKTSS DATA SEQUENCE DYNLWKLSSI LFDPVSYPYK TDNDQVKMAL LKKERHCRLT SWIVSQIGPE DATA SEQUENCE IEEKIRNSSN EIEQIFLYLL LNDVVRASKL AIESKNGHLS VLISYLGSND DATA SEQUENCE PRIRDLAELQ LQKWSTGGCS IDKNISKIYK LLSGSPFEGL FSLKELESEF DATA SEQUENCE SWLCLLNLTL CYGQIDEYSL ESLVQSHLDK FSLPYDDPIG VIFQLYAANE DATA SEQUENCE NTEKLYKEVR QRTNALDVQF CWYLIQTLRF NGTRVFSKET SDEATFAFAA DATA SEQUENCE QLEFAQLHGH SLFVSCFLND DKAAEDTIKR LVMREITLLR ASTNDHILNR DATA SEQUENCE LKIPSQLIFN AQALKDRYEG NYL 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 130 D HA 0.000 nan 4.640 nan 0.000 0.175 130 D C 0.000 176.303 176.300 0.006 0.000 2.045 130 D CA 0.000 54.003 54.000 0.005 0.000 0.868 130 D CB 0.000 40.803 40.800 0.004 0.000 0.688 131 E N -0.108 120.095 120.200 0.006 0.000 2.514 131 E HA 0.299 4.649 4.350 -0.000 0.000 0.215 131 E C 1.656 178.261 176.600 0.008 0.000 0.946 131 E CA 0.041 56.445 56.400 0.006 0.000 1.038 131 E CB 1.286 30.989 29.700 0.005 0.000 1.069 131 E HN 0.284 nan 8.360 nan 0.000 0.503 132 I N 2.179 122.754 120.570 0.008 0.000 2.876 132 I HA -0.148 4.022 4.170 -0.000 0.000 0.264 132 I C 1.401 177.526 176.117 0.013 0.000 1.204 132 I CA 0.620 61.926 61.300 0.010 0.000 1.485 132 I CB -0.126 37.880 38.000 0.009 0.000 1.103 132 I HN 0.023 nan 8.210 nan 0.000 0.446 133 D N 0.773 121.181 120.400 0.012 0.000 2.264 133 D HA -0.144 4.496 4.640 -0.000 0.000 0.208 133 D C 1.524 177.834 176.300 0.017 0.000 0.966 133 D CA 0.840 54.849 54.000 0.014 0.000 0.864 133 D CB -0.529 40.279 40.800 0.012 0.000 0.933 133 D HN 0.340 nan 8.370 nan 0.000 0.499 134 N N 1.179 119.889 118.700 0.016 0.000 2.251 134 N HA 0.012 4.752 4.740 -0.000 0.000 0.181 134 N C 1.976 177.501 175.510 0.026 0.000 1.019 134 N CA 1.241 54.302 53.050 0.019 0.000 0.862 134 N CB -0.343 38.153 38.487 0.016 0.000 0.992 134 N HN 0.195 nan 8.380 nan 0.000 0.429 135 A N 1.779 124.612 122.820 0.022 0.000 1.940 135 A HA -0.152 4.168 4.320 -0.000 0.000 0.219 135 A C 2.190 179.795 177.584 0.036 0.000 1.176 135 A CA 1.345 53.397 52.037 0.025 0.000 0.631 135 A CB -0.303 18.706 19.000 0.016 0.000 0.814 135 A HN 0.179 nan 8.150 nan 0.000 0.446 136 K N -1.190 119.229 120.400 0.032 0.000 2.031 136 K HA -0.047 4.273 4.320 -0.000 0.000 0.205 136 K C 1.995 178.620 176.600 0.042 0.000 1.049 136 K CA 1.212 57.521 56.287 0.037 0.000 0.939 136 K CB -0.387 32.130 32.500 0.028 0.000 0.717 136 K HN 0.395 nan 8.250 nan 0.000 0.438 137 L N 1.790 123.033 121.223 0.034 0.000 1.970 137 L HA -0.170 4.170 4.340 -0.000 0.000 0.212 137 L C 2.042 178.937 176.870 0.043 0.000 1.071 137 L CA 1.634 56.492 54.840 0.031 0.000 0.751 137 L CB -0.345 41.728 42.059 0.023 0.000 0.889 137 L HN 0.116 nan 8.230 nan 0.000 0.432 138 I N -1.042 119.559 120.570 0.052 0.000 2.252 138 I HA -0.311 3.859 4.170 -0.000 0.000 0.245 138 I C 2.599 178.795 176.117 0.131 0.000 1.102 138 I CA 1.715 63.060 61.300 0.075 0.000 1.385 138 I CB -0.431 37.610 38.000 0.068 0.000 1.064 138 I HN 0.428 nan 8.210 nan 0.000 0.414 139 M N 0.780 120.458 119.600 0.130 0.000 2.149 139 M HA -0.241 4.239 4.480 -0.000 0.000 0.261 139 M C 2.139 178.550 176.300 0.184 0.000 1.064 139 M CA 1.913 57.329 55.300 0.192 0.000 1.102 139 M CB -0.088 32.581 32.600 0.115 0.000 1.369 139 M HN 0.097 nan 8.290 nan 0.000 0.408 140 K N 0.386 120.846 120.400 0.100 0.000 2.128 140 K HA -0.097 4.223 4.320 -0.000 0.000 0.202 140 K C 1.659 178.274 176.600 0.025 0.000 1.050 140 K CA 1.477 57.799 56.287 0.059 0.000 0.966 140 K CB -0.160 32.365 32.500 0.041 0.000 0.759 140 K HN 0.551 nan 8.250 nan 0.000 0.454 141 E N 0.509 120.724 120.200 0.024 0.000 2.515 141 E HA -0.120 4.230 4.350 -0.000 0.000 0.201 141 E C 1.267 177.846 176.600 -0.036 0.000 1.071 141 E CA 0.885 57.284 56.400 -0.003 0.000 0.880 141 E CB 0.238 29.942 29.700 0.006 0.000 0.828 141 E HN -0.141 nan 8.360 nan 0.000 0.540 142 R N 0.862 121.335 120.500 -0.044 0.000 2.600 142 R HA 0.225 4.565 4.340 -0.000 0.000 0.392 142 R C -0.335 175.725 176.300 -0.401 0.000 1.032 142 R CA -0.283 55.691 56.100 -0.210 0.000 1.139 142 R CB -0.076 30.154 30.300 -0.118 0.000 1.400 142 R HN 0.072 nan 8.270 nan 0.000 0.566 143 R N 0.021 120.411 120.500 -0.183 0.000 3.516 143 R HA -0.205 4.135 4.340 -0.000 0.000 0.271 143 R C -0.781 175.436 176.300 -0.139 0.000 1.098 143 R CA 0.751 56.756 56.100 -0.158 0.000 0.732 143 R CB -2.891 27.285 30.300 -0.206 0.000 1.152 143 R HN 0.184 nan 8.270 nan 0.000 0.455 144 F N 0.241 120.175 119.950 -0.026 0.000 2.361 144 F HA 0.205 4.732 4.527 -0.000 0.000 0.364 144 F C 1.254 177.073 175.800 0.031 0.000 1.120 144 F CA -0.658 57.331 58.000 -0.019 0.000 1.102 144 F CB 1.381 40.358 39.000 -0.039 0.000 1.183 144 F HN -0.202 nan 8.300 nan 0.000 0.476 145 T N 2.375 117.092 114.554 0.272 0.000 2.882 145 T HA 0.177 4.527 4.350 -0.000 0.000 0.287 145 T C 1.114 175.921 174.700 0.177 0.000 1.014 145 T CA -0.245 61.961 62.100 0.176 0.000 1.049 145 T CB 1.620 70.571 68.868 0.139 0.000 1.001 145 T HN 0.692 nan 8.240 nan 0.000 0.525 146 A N 1.205 124.095 122.820 0.117 0.000 2.248 146 A HA 0.051 4.371 4.320 -0.000 0.000 0.210 146 A C 2.209 179.846 177.584 0.089 0.000 1.174 146 A CA 0.919 53.009 52.037 0.089 0.000 0.750 146 A CB -0.557 18.477 19.000 0.057 0.000 0.780 146 A HN 0.660 nan 8.150 nan 0.000 0.478 147 S N -1.295 114.477 115.700 0.119 0.000 2.528 147 S HA 0.018 4.488 4.470 -0.000 0.000 0.219 147 S C 0.572 175.263 174.600 0.151 0.000 0.985 147 S CA -0.536 57.728 58.200 0.107 0.000 0.914 147 S CB -0.469 62.791 63.200 0.100 0.000 0.776 147 S HN 0.576 nan 8.310 nan 0.000 0.526 148 Y N 3.624 123.968 120.300 0.073 0.000 2.846 148 Y HA 0.175 4.725 4.550 -0.000 0.000 0.352 148 Y C 0.263 176.216 175.900 0.089 0.000 1.298 148 Y CA 0.365 58.517 58.100 0.087 0.000 1.634 148 Y CB -0.607 37.864 38.460 0.018 0.000 1.214 148 Y HN 0.051 nan 8.280 nan 0.000 0.529 149 T N 7.101 121.614 114.554 -0.069 0.000 2.804 149 T HA 0.777 5.127 4.350 -0.000 0.000 0.272 149 T C -1.187 173.520 174.700 0.012 0.000 0.986 149 T CA 0.019 62.014 62.100 -0.177 0.000 0.999 149 T CB 1.453 70.280 68.868 -0.068 0.000 1.307 149 T HN 0.571 nan 8.240 nan 0.000 0.586 150 F N -1.668 118.198 119.950 -0.140 0.000 2.829 150 F HA 0.713 5.240 4.527 -0.000 0.000 0.319 150 F C -2.065 173.727 175.800 -0.014 0.000 1.153 150 F CA -1.380 56.614 58.000 -0.010 0.000 0.912 150 F CB 0.497 39.503 39.000 0.011 0.000 1.292 150 F HN 0.890 nan 8.300 nan 0.000 0.447 151 A N 2.256 125.059 122.820 -0.028 0.000 2.565 151 A HA 0.732 5.052 4.320 -0.000 0.000 0.298 151 A C -1.983 175.666 177.584 0.109 0.000 1.062 151 A CA -1.013 50.932 52.037 -0.154 0.000 0.723 151 A CB 1.721 20.606 19.000 -0.192 0.000 1.282 151 A HN 0.822 nan 8.150 nan 0.000 0.400 152 K N 1.539 121.998 120.400 0.098 0.000 2.535 152 K HA 0.532 4.852 4.320 -0.000 0.000 0.250 152 K C -1.398 175.307 176.600 0.175 0.000 0.948 152 K CA -0.427 55.982 56.287 0.204 0.000 0.796 152 K CB 1.787 34.423 32.500 0.226 0.000 1.216 152 K HN 0.500 nan 8.250 nan 0.000 0.432 153 F N 0.950 120.934 119.950 0.056 0.000 2.490 153 F HA 0.161 4.688 4.527 -0.000 0.000 0.336 153 F C 1.079 176.906 175.800 0.046 0.000 1.178 153 F CA 0.464 58.495 58.000 0.051 0.000 1.301 153 F CB 0.946 39.981 39.000 0.059 0.000 1.175 153 F HN 0.334 nan 8.300 nan 0.000 0.593 154 S N -0.345 115.486 115.700 0.219 0.000 2.677 154 S HA 0.264 4.734 4.470 -0.000 0.000 0.304 154 S C 0.899 175.559 174.600 0.100 0.000 1.108 154 S CA -0.615 57.660 58.200 0.125 0.000 0.944 154 S CB 1.796 65.039 63.200 0.072 0.000 1.127 154 S HN 0.684 nan 8.310 nan 0.000 0.511 155 T N 1.974 116.554 114.554 0.044 0.000 2.649 155 T HA -0.174 4.176 4.350 -0.000 0.000 0.268 155 T C 1.816 176.513 174.700 -0.004 0.000 1.036 155 T CA 2.020 64.121 62.100 0.002 0.000 1.157 155 T CB -0.764 68.084 68.868 -0.034 0.000 0.861 155 T HN 0.814 nan 8.240 nan 0.000 0.445 156 G N -0.452 108.356 108.800 0.013 0.000 2.679 156 G HA2 0.123 4.083 3.960 -0.000 0.000 0.212 156 G HA3 0.123 4.083 3.960 -0.000 0.000 0.212 156 G C 0.690 175.621 174.900 0.052 0.000 1.137 156 G CA 0.787 45.898 45.100 0.017 0.000 0.787 156 G HN 0.476 nan 8.290 nan 0.000 0.534 157 S N -1.340 114.422 115.700 0.103 0.000 3.196 157 S HA -0.145 4.325 4.470 -0.000 0.000 0.275 157 S C 0.368 175.124 174.600 0.261 0.000 1.317 157 S CA 0.796 59.128 58.200 0.220 0.000 0.915 157 S CB -2.034 61.251 63.200 0.142 0.000 1.138 157 S HN 0.692 nan 8.310 nan 0.000 0.690 158 M N 0.745 120.426 119.600 0.135 0.000 2.472 158 M HA 0.826 5.306 4.480 -0.000 0.000 0.331 158 M C -0.338 175.906 176.300 -0.094 0.000 1.170 158 M CA -0.974 54.341 55.300 0.026 0.000 1.009 158 M CB 1.145 33.752 32.600 0.012 0.000 1.672 158 M HN 0.178 nan 8.290 nan 0.000 0.453 159 L N 3.474 124.518 121.223 -0.299 0.000 2.334 159 L HA 0.621 4.961 4.340 -0.000 0.000 0.275 159 L C -1.483 175.230 176.870 -0.262 0.000 1.036 159 L CA -0.477 54.075 54.840 -0.479 0.000 0.807 159 L CB 1.369 42.851 42.059 -0.963 0.000 1.231 159 L HN 0.794 nan 8.230 nan 0.000 0.438 160 L N 4.644 125.750 121.223 -0.195 0.000 2.335 160 L HA 0.419 4.759 4.340 -0.000 0.000 0.268 160 L C -0.067 176.635 176.870 -0.279 0.000 1.037 160 L CA -0.459 54.291 54.840 -0.150 0.000 0.895 160 L CB 0.588 42.633 42.059 -0.024 0.000 1.266 160 L HN 0.649 nan 8.230 nan 0.000 0.439 161 T N 1.415 115.790 114.554 -0.300 0.000 2.882 161 T HA 0.218 4.568 4.350 -0.000 0.000 0.287 161 T C 0.215 174.665 174.700 -0.416 0.000 1.014 161 T CA -0.450 61.413 62.100 -0.397 0.000 1.049 161 T CB 1.360 70.067 68.868 -0.270 0.000 1.001 161 T HN 0.542 nan 8.240 nan 0.000 0.525 162 K N 1.064 121.150 120.400 -0.523 0.000 2.240 162 K HA 0.466 4.786 4.320 -0.000 0.000 0.271 162 K C -0.760 175.729 176.600 -0.184 0.000 1.018 162 K CA -0.468 55.629 56.287 -0.317 0.000 0.874 162 K CB 1.184 33.509 32.500 -0.291 0.000 1.098 162 K HN 0.333 nan 8.250 nan 0.000 0.458 163 D N 3.154 123.486 120.400 -0.114 0.000 2.480 163 D HA 0.258 4.898 4.640 -0.000 0.000 0.243 163 D C 0.442 176.710 176.300 -0.053 0.000 1.120 163 D CA -0.021 53.929 54.000 -0.083 0.000 0.835 163 D CB 0.237 40.989 40.800 -0.080 0.000 1.204 163 D HN 0.771 nan 8.370 nan 0.000 0.513 164 I N -0.343 120.203 120.570 -0.040 0.000 5.447 164 I HA -0.262 3.908 4.170 -0.000 0.000 0.154 164 I C 0.271 176.374 176.117 -0.023 0.000 1.813 164 I CA 0.022 61.307 61.300 -0.026 0.000 2.037 164 I CB -0.619 37.366 38.000 -0.025 0.000 3.343 164 I HN -0.082 nan 8.210 nan 0.000 0.169 165 V N 0.583 120.480 119.914 -0.029 0.000 3.649 165 V HA 0.227 4.347 4.120 -0.000 0.000 0.275 165 V C 1.319 177.401 176.094 -0.019 0.000 1.281 165 V CA 1.220 63.505 62.300 -0.025 0.000 1.143 165 V CB 0.383 32.187 31.823 -0.032 0.000 0.892 165 V HN 0.511 nan 8.190 nan 0.000 0.441 166 G N -1.003 107.788 108.800 -0.015 0.000 2.417 166 G HA2 0.365 4.325 3.960 -0.000 0.000 0.334 166 G HA3 0.365 4.325 3.960 -0.000 0.000 0.334 166 G C 0.649 175.549 174.900 -0.001 0.000 1.150 166 G CA -0.362 44.734 45.100 -0.007 0.000 0.923 166 G HN -0.125 nan 8.290 nan 0.000 0.485 167 K N 0.319 120.721 120.400 0.003 0.000 2.173 167 K HA -0.102 4.218 4.320 -0.000 0.000 0.207 167 K C 1.600 178.204 176.600 0.007 0.000 1.046 167 K CA 1.525 57.815 56.287 0.004 0.000 0.929 167 K CB -0.061 32.443 32.500 0.007 0.000 0.720 167 K HN 0.355 nan 8.250 nan 0.000 0.453 168 S N -1.349 114.358 115.700 0.012 0.000 2.754 168 S HA 0.289 4.759 4.470 -0.000 0.000 0.247 168 S C 0.123 174.738 174.600 0.025 0.000 1.031 168 S CA 0.513 58.723 58.200 0.017 0.000 1.014 168 S CB 0.212 63.425 63.200 0.023 0.000 0.918 168 S HN 0.501 nan 8.310 nan 0.000 0.519 169 G N 0.933 109.742 108.800 0.015 0.000 2.246 169 G HA2 -0.202 3.758 3.960 -0.000 0.000 0.273 169 G HA3 -0.202 3.758 3.960 -0.000 0.000 0.273 169 G C -0.092 174.822 174.900 0.023 0.000 1.055 169 G CA 0.338 45.445 45.100 0.012 0.000 0.851 169 G HN 0.621 nan 8.290 nan 0.000 0.500 170 V N 1.034 120.959 119.914 0.018 0.000 2.235 170 V HA 0.359 4.479 4.120 -0.000 0.000 0.266 170 V C 0.874 176.949 176.094 -0.032 0.000 1.055 170 V CA -0.180 62.130 62.300 0.016 0.000 0.844 170 V CB 1.293 33.151 31.823 0.059 0.000 1.097 170 V HN 0.387 nan 8.190 nan 0.000 0.453 171 S N 5.015 120.669 115.700 -0.077 0.000 2.671 171 S HA 0.247 4.717 4.470 -0.000 0.000 0.331 171 S C 0.938 175.481 174.600 -0.095 0.000 1.182 171 S CA -0.091 58.058 58.200 -0.085 0.000 1.276 171 S CB -0.309 62.827 63.200 -0.107 0.000 1.360 171 S HN 0.553 nan 8.310 nan 0.000 0.563 172 I N 3.774 124.306 120.570 -0.063 0.000 2.882 172 I HA -0.007 4.163 4.170 -0.000 0.000 0.276 172 I C 0.938 177.013 176.117 -0.071 0.000 1.096 172 I CA 0.086 61.349 61.300 -0.062 0.000 1.872 172 I CB -0.659 37.324 38.000 -0.028 0.000 1.383 172 I HN 0.417 nan 8.210 nan 0.000 0.758 173 K N 2.180 122.521 120.400 -0.098 0.000 2.285 173 K HA 0.168 4.488 4.320 -0.000 0.000 0.255 173 K C 0.418 176.966 176.600 -0.087 0.000 1.000 173 K CA 0.038 56.270 56.287 -0.091 0.000 0.887 173 K CB 0.701 33.134 32.500 -0.112 0.000 0.997 173 K HN 0.346 nan 8.250 nan 0.000 0.510 174 R N 0.354 120.819 120.500 -0.059 0.000 2.919 174 R HA 0.365 4.705 4.340 -0.000 0.000 0.260 174 R C -1.327 174.962 176.300 -0.019 0.000 1.067 174 R CA -0.933 55.151 56.100 -0.026 0.000 1.003 174 R CB 0.816 31.124 30.300 0.014 0.000 1.192 174 R HN 0.297 nan 8.270 nan 0.000 0.488 175 L N 3.687 124.939 121.223 0.048 0.000 2.265 175 L HA 0.410 4.750 4.340 -0.000 0.000 0.288 175 L C -2.041 174.828 176.870 -0.002 0.000 1.058 175 L CA -1.950 52.907 54.840 0.029 0.000 0.809 175 L CB 1.224 43.357 42.059 0.124 0.000 1.179 175 L HN 0.527 nan 8.230 nan 0.000 0.429 176 P HA 0.059 nan 4.420 nan 0.000 0.267 176 P C -0.779 176.465 177.300 -0.094 0.000 1.209 176 P CA -0.167 62.903 63.100 -0.051 0.000 0.763 176 P CB 0.294 31.964 31.700 -0.050 0.000 0.816 177 T N 3.152 117.704 114.554 -0.003 0.000 3.151 177 T HA 0.082 4.432 4.350 -0.000 0.000 0.332 177 T C 1.229 175.949 174.700 0.034 0.000 1.245 177 T CA -0.342 61.775 62.100 0.028 0.000 1.019 177 T CB -0.298 68.638 68.868 0.113 0.000 1.109 177 T HN 0.472 nan 8.240 nan 0.000 0.621 178 E N 1.924 122.127 120.200 0.004 0.000 2.495 178 E HA -0.102 4.248 4.350 -0.000 0.000 0.204 178 E C 0.759 177.392 176.600 0.055 0.000 1.163 178 E CA 0.031 56.444 56.400 0.023 0.000 0.922 178 E CB -0.475 29.232 29.700 0.011 0.000 0.918 178 E HN 0.525 nan 8.360 nan 0.000 0.537 179 L N 0.926 122.191 121.223 0.071 0.000 2.384 179 L HA 0.121 4.461 4.340 -0.000 0.000 0.258 179 L C -0.419 176.497 176.870 0.077 0.000 1.266 179 L CA -0.215 54.676 54.840 0.086 0.000 1.162 179 L CB 0.277 42.384 42.059 0.080 0.000 1.375 179 L HN -0.059 nan 8.230 nan 0.000 0.420 180 Q N 4.807 124.646 119.800 0.064 0.000 2.431 180 Q HA 0.244 4.584 4.340 -0.000 0.000 0.234 180 Q C -0.287 175.714 176.000 0.001 0.000 1.203 180 Q CA 0.316 56.146 55.803 0.045 0.000 0.902 180 Q CB 0.164 28.919 28.738 0.029 0.000 1.455 180 Q HN 0.581 nan 8.270 nan 0.000 0.515 181 R N 2.389 122.869 120.500 -0.032 0.000 3.190 181 R HA 0.073 4.413 4.340 -0.000 0.000 0.244 181 R C 0.141 176.268 176.300 -0.288 0.000 1.788 181 R CA -0.174 55.799 56.100 -0.212 0.000 1.160 181 R CB 0.294 30.369 30.300 -0.376 0.000 1.494 181 R HN 0.385 nan 8.270 nan 0.000 0.499 182 K N 1.452 121.789 120.400 -0.105 0.000 2.097 182 K HA -0.308 4.012 4.320 -0.000 0.000 0.223 182 K C 1.360 178.007 176.600 0.079 0.000 1.049 182 K CA 2.800 59.076 56.287 -0.019 0.000 0.956 182 K CB -0.514 31.965 32.500 -0.035 0.000 0.746 182 K HN 0.551 nan 8.250 nan 0.000 0.461 183 F N 0.861 120.834 119.950 0.039 0.000 2.271 183 F HA -0.145 4.382 4.527 -0.000 0.000 0.302 183 F C 1.615 177.400 175.800 -0.026 0.000 1.063 183 F CA 1.058 59.056 58.000 -0.004 0.000 1.362 183 F CB -0.931 37.991 39.000 -0.131 0.000 1.060 183 F HN -0.044 nan 8.300 nan 0.000 0.521 184 L N -0.955 120.025 121.223 -0.404 0.000 2.353 184 L HA -0.157 4.183 4.340 -0.000 0.000 0.220 184 L C 1.270 177.872 176.870 -0.446 0.000 1.133 184 L CA 0.890 55.438 54.840 -0.486 0.000 0.798 184 L CB -0.758 40.794 42.059 -0.845 0.000 0.922 184 L HN 0.161 nan 8.230 nan 0.000 0.445 185 F N -1.426 118.445 119.950 -0.131 0.000 2.660 185 F HA 0.173 4.700 4.527 -0.000 0.000 0.302 185 F C 0.666 176.457 175.800 -0.015 0.000 1.103 185 F CA -0.508 57.441 58.000 -0.084 0.000 1.340 185 F CB -0.120 38.826 39.000 -0.089 0.000 1.048 185 F HN -0.083 nan 8.300 nan 0.000 0.551 186 D N 0.176 120.692 120.400 0.194 0.000 2.391 186 D HA 0.100 4.740 4.640 -0.000 0.000 0.245 186 D C 0.754 177.151 176.300 0.162 0.000 1.069 186 D CA -0.304 53.799 54.000 0.172 0.000 0.831 186 D CB 1.290 42.206 40.800 0.193 0.000 1.204 186 D HN -0.079 nan 8.370 nan 0.000 0.503 187 D N 2.892 123.355 120.400 0.105 0.000 2.154 187 D HA -0.203 4.437 4.640 -0.000 0.000 0.190 187 D C 2.118 178.481 176.300 0.105 0.000 1.003 187 D CA 1.195 55.242 54.000 0.078 0.000 0.849 187 D CB -0.360 40.470 40.800 0.050 0.000 0.942 187 D HN 0.284 nan 8.370 nan 0.000 0.446 188 V N 0.887 120.880 119.914 0.131 0.000 2.252 188 V HA -0.352 3.768 4.120 -0.000 0.000 0.255 188 V C 2.256 178.489 176.094 0.231 0.000 1.071 188 V CA 2.188 64.583 62.300 0.158 0.000 1.050 188 V CB -0.889 31.031 31.823 0.161 0.000 0.654 188 V HN 0.164 nan 8.190 nan 0.000 0.448 189 Y N 0.421 120.850 120.300 0.216 0.000 2.049 189 Y HA -0.272 4.278 4.550 -0.000 0.000 0.277 189 Y C 2.321 178.241 175.900 0.033 0.000 1.143 189 Y CA 2.074 60.268 58.100 0.157 0.000 1.115 189 Y CB -0.708 37.845 38.460 0.156 0.000 0.975 189 Y HN 0.193 nan 8.280 nan 0.000 0.487 190 L N 0.850 122.064 121.223 -0.015 0.000 2.013 190 L HA -0.227 4.113 4.340 -0.000 0.000 0.212 190 L C 2.143 178.833 176.870 -0.301 0.000 1.073 190 L CA 2.589 57.306 54.840 -0.206 0.000 0.753 190 L CB -1.351 40.737 42.059 0.047 0.000 0.890 190 L HN 0.415 nan 8.230 nan 0.000 0.432 191 D N -0.435 119.886 120.400 -0.132 0.000 2.087 191 D HA -0.245 4.395 4.640 -0.000 0.000 0.192 191 D C 2.172 178.410 176.300 -0.103 0.000 0.993 191 D CA 1.574 55.511 54.000 -0.105 0.000 0.828 191 D CB -0.006 40.777 40.800 -0.028 0.000 0.968 191 D HN 0.369 nan 8.370 nan 0.000 0.448 192 K N 0.195 120.557 120.400 -0.064 0.000 2.026 192 K HA -0.148 4.172 4.320 -0.000 0.000 0.208 192 K C 2.119 178.656 176.600 -0.106 0.000 1.048 192 K CA 1.043 57.310 56.287 -0.033 0.000 0.929 192 K CB -0.148 32.391 32.500 0.064 0.000 0.713 192 K HN 0.193 nan 8.250 nan 0.000 0.439 193 E N 0.620 120.654 120.200 -0.277 0.000 2.401 193 E HA -0.145 4.204 4.350 -0.000 0.000 0.199 193 E C 1.649 178.133 176.600 -0.193 0.000 1.023 193 E CA 0.425 56.635 56.400 -0.318 0.000 0.859 193 E CB 0.056 29.341 29.700 -0.692 0.000 0.780 193 E HN 0.316 nan 8.360 nan 0.000 0.523 194 I N 0.608 121.054 120.570 -0.207 0.000 2.406 194 I HA -0.166 4.004 4.170 -0.000 0.000 0.249 194 I C 1.894 178.060 176.117 0.082 0.000 1.122 194 I CA 0.797 62.080 61.300 -0.029 0.000 1.431 194 I CB -0.068 37.882 38.000 -0.082 0.000 1.087 194 I HN 0.089 nan 8.210 nan 0.000 0.424 195 E N 0.792 121.012 120.200 0.032 0.000 2.333 195 E HA -0.171 4.179 4.350 -0.000 0.000 0.198 195 E C 1.585 178.224 176.600 0.066 0.000 1.007 195 E CA 0.496 56.927 56.400 0.052 0.000 0.845 195 E CB 0.077 29.801 29.700 0.040 0.000 0.766 195 E HN 0.235 nan 8.360 nan 0.000 0.507 196 K N 0.604 121.048 120.400 0.072 0.000 2.555 196 K HA 0.029 4.349 4.320 -0.000 0.000 0.193 196 K C 0.256 176.921 176.600 0.108 0.000 1.032 196 K CA 0.321 56.658 56.287 0.083 0.000 1.004 196 K CB 0.270 32.820 32.500 0.083 0.000 0.804 196 K HN -0.026 nan 8.250 nan 0.000 0.496 197 V N -0.364 119.628 119.914 0.130 0.000 3.126 197 V HA 0.306 4.426 4.120 -0.000 0.000 0.314 197 V C -0.183 175.958 176.094 0.078 0.000 1.138 197 V CA -0.875 61.494 62.300 0.115 0.000 1.034 197 V CB 2.274 34.185 31.823 0.147 0.000 1.075 197 V HN -0.124 nan 8.190 nan 0.000 0.442 198 T N 2.958 117.545 114.554 0.055 0.000 2.864 198 T HA 0.624 4.974 4.350 -0.000 0.000 0.299 198 T C -0.508 174.194 174.700 0.003 0.000 1.011 198 T CA -0.036 62.087 62.100 0.038 0.000 0.975 198 T CB 0.436 69.333 68.868 0.048 0.000 0.962 198 T HN 0.355 nan 8.240 nan 0.000 0.448 199 I N 2.820 123.384 120.570 -0.010 0.000 2.498 199 I HA 0.572 4.742 4.170 -0.000 0.000 0.301 199 I C 0.242 176.345 176.117 -0.024 0.000 0.984 199 I CA -0.657 60.617 61.300 -0.042 0.000 1.204 199 I CB 1.555 39.527 38.000 -0.047 0.000 1.362 199 I HN 0.541 nan 8.210 nan 0.000 0.471 200 E N 4.544 124.725 120.200 -0.032 0.000 2.343 200 E HA 0.488 4.838 4.350 -0.000 0.000 0.286 200 E C -1.402 175.191 176.600 -0.012 0.000 0.915 200 E CA -0.797 55.594 56.400 -0.016 0.000 0.784 200 E CB 1.886 31.579 29.700 -0.012 0.000 1.251 200 E HN 0.721 nan 8.360 nan 0.000 0.407 201 A N 4.028 126.848 122.820 0.000 0.000 2.555 201 A HA 0.158 4.478 4.320 -0.000 0.000 0.233 201 A C 0.441 178.038 177.584 0.022 0.000 1.060 201 A CA -0.016 52.033 52.037 0.021 0.000 0.759 201 A CB 0.290 19.306 19.000 0.027 0.000 0.995 201 A HN 0.581 nan 8.150 nan 0.000 0.506 202 R N 0.723 121.247 120.500 0.041 0.000 2.726 202 R HA 0.146 4.486 4.340 -0.000 0.000 0.272 202 R C 1.220 177.531 176.300 0.018 0.000 1.097 202 R CA -0.220 55.895 56.100 0.025 0.000 1.198 202 R CB 0.216 30.533 30.300 0.028 0.000 1.114 202 R HN 0.818 nan 8.270 nan 0.000 0.550 203 K N 0.126 120.530 120.400 0.006 0.000 2.283 203 K HA -0.067 4.253 4.320 -0.000 0.000 0.202 203 K C 1.176 177.779 176.600 0.004 0.000 1.048 203 K CA 1.568 57.856 56.287 0.002 0.000 0.948 203 K CB 0.163 32.660 32.500 -0.006 0.000 0.742 203 K HN 0.539 nan 8.250 nan 0.000 0.458 204 S N 0.356 116.058 115.700 0.003 0.000 2.593 204 S HA 0.075 4.545 4.470 -0.000 0.000 0.236 204 S C -0.269 174.332 174.600 0.002 0.000 0.991 204 S CA -0.559 57.639 58.200 -0.003 0.000 0.963 204 S CB -0.354 62.836 63.200 -0.017 0.000 0.865 204 S HN 0.379 nan 8.310 nan 0.000 0.488 205 N N -0.811 117.907 118.700 0.031 0.000 3.951 205 N HA 0.251 4.991 4.740 -0.000 0.000 0.222 205 N C -3.158 172.437 175.510 0.142 0.000 1.352 205 N CA -1.048 52.048 53.050 0.077 0.000 0.852 205 N CB -0.027 38.479 38.487 0.032 0.000 1.444 205 N HN -0.137 nan 8.380 nan 0.000 0.473 206 P HA 0.002 nan 4.420 nan 0.000 0.237 206 P C -0.494 176.894 177.300 0.147 0.000 1.178 206 P CA 0.676 63.860 63.100 0.139 0.000 0.766 206 P CB -0.151 31.601 31.700 0.087 0.000 0.876 207 Y N 3.667 123.963 120.300 -0.006 0.000 2.650 207 Y HA 0.096 4.646 4.550 -0.000 0.000 0.342 207 Y C -1.290 174.597 175.900 -0.021 0.000 1.110 207 Y CA -3.043 55.051 58.100 -0.010 0.000 1.438 207 Y CB -0.937 37.519 38.460 -0.007 0.000 1.181 207 Y HN 0.108 nan 8.280 nan 0.000 0.526 208 P HA -0.062 nan 4.420 nan 0.000 0.265 208 P C -0.802 176.485 177.300 -0.021 0.000 1.187 208 P CA 0.155 63.252 63.100 -0.005 0.000 0.766 208 P CB 0.920 32.594 31.700 -0.043 0.000 0.820 209 Q N 1.411 121.175 119.800 -0.059 0.000 2.377 209 Q HA 0.450 4.790 4.340 -0.000 0.000 0.279 209 Q C -0.754 175.153 176.000 -0.155 0.000 1.049 209 Q CA -0.874 54.863 55.803 -0.109 0.000 0.825 209 Q CB 1.594 30.305 28.738 -0.046 0.000 1.401 209 Q HN 0.297 nan 8.270 nan 0.000 0.404 210 I N 1.158 121.556 120.570 -0.287 0.000 2.587 210 I HA -0.031 4.138 4.170 -0.000 0.000 0.284 210 I C 1.048 177.185 176.117 0.032 0.000 1.134 210 I CA 0.758 61.914 61.300 -0.241 0.000 1.410 210 I CB 0.972 38.606 38.000 -0.610 0.000 1.392 210 I HN 0.647 nan 8.210 nan 0.000 0.545 211 S N 4.448 120.175 115.700 0.046 0.000 2.371 211 S HA 0.176 4.646 4.470 -0.000 0.000 0.219 211 S C 0.615 175.296 174.600 0.135 0.000 1.040 211 S CA 0.665 58.894 58.200 0.048 0.000 0.958 211 S CB 0.223 63.431 63.200 0.013 0.000 0.860 211 S HN 0.625 nan 8.310 nan 0.000 0.487 212 E N 0.862 121.190 120.200 0.213 0.000 2.275 212 E HA 0.429 4.779 4.350 -0.000 0.000 0.270 212 E C -1.671 175.101 176.600 0.286 0.000 0.882 212 E CA -0.240 56.332 56.400 0.287 0.000 0.758 212 E CB 1.848 31.626 29.700 0.131 0.000 1.195 212 E HN 0.186 nan 8.360 nan 0.000 0.419 213 S N 1.116 117.041 115.700 0.375 0.000 2.789 213 S HA 0.223 4.693 4.470 -0.000 0.000 0.286 213 S C -0.505 174.129 174.600 0.056 0.000 1.153 213 S CA -0.651 57.587 58.200 0.063 0.000 1.084 213 S CB 0.294 63.295 63.200 -0.332 0.000 1.036 213 S HN 0.339 nan 8.310 nan 0.000 0.484 214 S N 5.589 121.324 115.700 0.058 0.000 4.120 214 S HA 0.394 4.864 4.470 -0.000 0.000 0.196 214 S C -0.066 174.541 174.600 0.013 0.000 1.447 214 S CA -0.631 57.594 58.200 0.041 0.000 0.939 214 S CB -0.710 62.520 63.200 0.049 0.000 1.496 214 S HN 0.721 nan 8.310 nan 0.000 0.460 215 L N 3.081 124.267 121.223 -0.061 0.000 2.287 215 L HA 0.576 4.916 4.340 -0.000 0.000 0.287 215 L C -0.576 176.189 176.870 -0.175 0.000 1.022 215 L CA -0.644 54.143 54.840 -0.088 0.000 0.814 215 L CB 1.347 43.285 42.059 -0.201 0.000 1.217 215 L HN 0.465 nan 8.230 nan 0.000 0.420 216 L N 2.255 123.481 121.223 0.004 0.000 2.341 216 L HA 0.389 4.729 4.340 -0.000 0.000 0.267 216 L C 0.468 177.509 176.870 0.284 0.000 1.009 216 L CA -0.738 54.129 54.840 0.045 0.000 0.819 216 L CB 1.929 44.056 42.059 0.113 0.000 1.323 216 L HN 0.414 nan 8.230 nan 0.000 0.425 217 F N 0.581 120.674 119.950 0.238 0.000 2.120 217 F HA -0.238 4.289 4.527 -0.000 0.000 0.300 217 F C 2.304 178.359 175.800 0.425 0.000 1.095 217 F CA 1.536 59.822 58.000 0.476 0.000 1.249 217 F CB -0.368 38.742 39.000 0.183 0.000 0.995 217 F HN 0.513 nan 8.300 nan 0.000 0.480 218 K N 0.254 120.908 120.400 0.424 0.000 2.071 218 K HA -0.289 4.031 4.320 -0.000 0.000 0.217 218 K C 1.664 178.407 176.600 0.239 0.000 1.054 218 K CA 2.060 58.505 56.287 0.263 0.000 0.937 218 K CB -0.790 31.813 32.500 0.171 0.000 0.719 218 K HN 0.306 nan 8.250 nan 0.000 0.454 219 D N 0.591 121.129 120.400 0.229 0.000 2.204 219 D HA -0.254 4.386 4.640 -0.000 0.000 0.189 219 D C 1.909 178.242 176.300 0.054 0.000 1.006 219 D CA 1.942 56.035 54.000 0.155 0.000 0.855 219 D CB -0.443 40.453 40.800 0.158 0.000 0.946 219 D HN 0.343 nan 8.370 nan 0.000 0.448 220 A N 0.937 123.749 122.820 -0.013 0.000 1.986 220 A HA -0.178 4.142 4.320 -0.000 0.000 0.220 220 A C 2.531 179.987 177.584 -0.214 0.000 1.171 220 A CA 1.084 52.893 52.037 -0.380 0.000 0.640 220 A CB -0.846 17.782 19.000 -0.619 0.000 0.811 220 A HN 0.259 nan 8.150 nan 0.000 0.451 221 L N -0.323 120.942 121.223 0.071 0.000 2.021 221 L HA -0.307 4.033 4.340 -0.000 0.000 0.215 221 L C 2.210 179.238 176.870 0.264 0.000 1.074 221 L CA 1.853 56.806 54.840 0.187 0.000 0.760 221 L CB -1.024 41.154 42.059 0.198 0.000 0.889 221 L HN 0.353 nan 8.230 nan 0.000 0.433 222 D N -0.439 120.117 120.400 0.261 0.000 2.133 222 D HA -0.227 4.413 4.640 -0.000 0.000 0.195 222 D C 1.931 178.302 176.300 0.119 0.000 0.997 222 D CA 1.670 55.795 54.000 0.209 0.000 0.840 222 D CB -0.368 40.547 40.800 0.193 0.000 0.947 222 D HN 0.406 nan 8.370 nan 0.000 0.452 223 Y N -0.031 120.166 120.300 -0.172 0.000 2.578 223 Y HA 0.147 4.697 4.550 -0.000 0.000 0.297 223 Y C 1.364 177.195 175.900 -0.114 0.000 1.176 223 Y CA 0.142 58.112 58.100 -0.217 0.000 1.315 223 Y CB -0.660 37.465 38.460 -0.559 0.000 1.031 223 Y HN -0.049 nan 8.280 nan 0.000 0.524 224 M N -0.662 118.991 119.600 0.088 0.000 2.792 224 M HA 0.357 4.837 4.480 -0.000 0.000 0.294 224 M C -0.375 175.949 176.300 0.040 0.000 1.215 224 M CA -0.705 54.654 55.300 0.099 0.000 0.883 224 M CB 1.568 34.251 32.600 0.138 0.000 1.620 224 M HN -0.122 nan 8.290 nan 0.000 0.511 225 E N 0.355 120.554 120.200 -0.002 0.000 2.171 225 E HA 0.235 4.585 4.350 -0.000 0.000 0.271 225 E C -0.301 176.129 176.600 -0.284 0.000 0.916 225 E CA -0.419 55.906 56.400 -0.126 0.000 0.774 225 E CB 1.721 31.381 29.700 -0.067 0.000 1.128 225 E HN 0.478 nan 8.360 nan 0.000 0.403 226 K N 0.674 120.737 120.400 -0.561 0.000 2.520 226 K HA -0.132 4.188 4.320 -0.000 0.000 0.197 226 K C 1.156 177.606 176.600 -0.250 0.000 1.044 226 K CA 1.141 56.959 56.287 -0.782 0.000 0.938 226 K CB -0.060 32.092 32.500 -0.581 0.000 0.767 226 K HN 0.369 nan 8.250 nan 0.000 0.481 227 T N 0.316 114.801 114.554 -0.116 0.000 3.037 227 T HA -0.010 4.340 4.350 -0.000 0.000 0.252 227 T C 0.753 175.480 174.700 0.046 0.000 1.073 227 T CA 0.047 62.135 62.100 -0.021 0.000 1.091 227 T CB 0.213 69.064 68.868 -0.029 0.000 0.935 227 T HN 0.256 nan 8.240 nan 0.000 0.488 228 S N 2.023 117.765 115.700 0.070 0.000 2.579 228 S HA 0.172 4.642 4.470 -0.000 0.000 0.275 228 S C 1.699 176.405 174.600 0.177 0.000 1.345 228 S CA -0.185 58.081 58.200 0.110 0.000 1.031 228 S CB 1.172 64.435 63.200 0.105 0.000 0.892 228 S HN 0.385 nan 8.310 nan 0.000 0.529 229 S N 0.612 116.403 115.700 0.151 0.000 2.419 229 S HA -0.176 4.294 4.470 -0.000 0.000 0.233 229 S C 0.991 175.726 174.600 0.226 0.000 1.016 229 S CA 1.202 59.507 58.200 0.175 0.000 0.974 229 S CB -0.645 62.634 63.200 0.131 0.000 0.786 229 S HN 0.703 nan 8.310 nan 0.000 0.492 230 D N 0.982 121.518 120.400 0.225 0.000 2.087 230 D HA -0.125 4.515 4.640 -0.000 0.000 0.192 230 D C 1.599 178.143 176.300 0.406 0.000 0.993 230 D CA 1.550 55.732 54.000 0.304 0.000 0.828 230 D CB -0.833 40.083 40.800 0.194 0.000 0.968 230 D HN 0.522 nan 8.370 nan 0.000 0.448 231 Y N 1.920 122.343 120.300 0.204 0.000 2.181 231 Y HA -0.295 4.255 4.550 -0.000 0.000 0.284 231 Y C 1.922 178.005 175.900 0.305 0.000 1.179 231 Y CA 1.689 59.925 58.100 0.226 0.000 1.179 231 Y CB -0.226 38.326 38.460 0.152 0.000 0.973 231 Y HN -0.014 nan 8.280 nan 0.000 0.519 232 N N 0.216 119.146 118.700 0.383 0.000 2.051 232 N HA -0.207 4.533 4.740 -0.000 0.000 0.192 232 N C 1.985 177.651 175.510 0.259 0.000 1.049 232 N CA 1.531 54.820 53.050 0.399 0.000 0.845 232 N CB -1.014 37.736 38.487 0.437 0.000 1.031 232 N HN 0.434 nan 8.380 nan 0.000 0.425 233 L N 0.192 121.543 121.223 0.214 0.000 2.021 233 L HA -0.188 4.152 4.340 -0.000 0.000 0.215 233 L C 2.061 178.879 176.870 -0.088 0.000 1.074 233 L CA 1.759 56.609 54.840 0.017 0.000 0.760 233 L CB -0.484 41.521 42.059 -0.090 0.000 0.889 233 L HN 0.215 nan 8.230 nan 0.000 0.433 234 W N -0.065 121.221 121.300 -0.024 0.000 2.413 234 W HA -0.124 4.536 4.660 -0.000 0.000 0.315 234 W C 2.780 179.224 176.519 -0.125 0.000 1.186 234 W CA 1.495 58.875 57.345 0.059 0.000 1.326 234 W CB -0.770 28.770 29.460 0.134 0.000 1.153 234 W HN 0.025 nan 8.180 nan 0.000 0.489 235 K N 0.617 120.990 120.400 -0.046 0.000 2.127 235 K HA -0.236 4.084 4.320 -0.000 0.000 0.208 235 K C 1.906 178.299 176.600 -0.346 0.000 1.047 235 K CA 1.683 57.833 56.287 -0.228 0.000 0.927 235 K CB -0.966 31.354 32.500 -0.300 0.000 0.716 235 K HN 0.093 nan 8.250 nan 0.000 0.450 236 L N 0.324 121.282 121.223 -0.443 0.000 1.976 236 L HA -0.168 4.172 4.340 -0.000 0.000 0.209 236 L C 1.976 178.432 176.870 -0.690 0.000 1.071 236 L CA 2.206 56.572 54.840 -0.790 0.000 0.746 236 L CB -1.022 40.609 42.059 -0.715 0.000 0.890 236 L HN 0.237 nan 8.230 nan 0.000 0.432 237 S N -0.964 114.365 115.700 -0.617 0.000 2.365 237 S HA -0.266 4.204 4.470 -0.000 0.000 0.225 237 S C 2.101 176.295 174.600 -0.678 0.000 1.039 237 S CA 1.588 59.319 58.200 -0.783 0.000 1.033 237 S CB -0.836 61.380 63.200 -1.640 0.000 0.887 237 S HN 0.629 nan 8.310 nan 0.000 0.447 238 S N 0.655 116.063 115.700 -0.488 0.000 2.440 238 S HA -0.069 4.401 4.470 -0.000 0.000 0.240 238 S C 1.580 176.067 174.600 -0.189 0.000 1.014 238 S CA 0.926 59.051 58.200 -0.126 0.000 0.980 238 S CB -0.445 62.768 63.200 0.022 0.000 0.775 238 S HN 0.471 nan 8.310 nan 0.000 0.499 239 I N 0.199 120.549 120.570 -0.366 0.000 2.556 239 I HA -0.019 4.151 4.170 -0.000 0.000 0.251 239 I C 1.980 177.790 176.117 -0.510 0.000 1.105 239 I CA 0.636 61.700 61.300 -0.393 0.000 1.436 239 I CB -0.248 37.459 38.000 -0.490 0.000 1.139 239 I HN 0.254 nan 8.210 nan 0.000 0.438 240 L N -0.283 120.469 121.223 -0.784 0.000 2.141 240 L HA -0.139 4.201 4.340 -0.000 0.000 0.209 240 L C 2.016 178.265 176.870 -1.035 0.000 1.094 240 L CA 1.604 55.712 54.840 -1.220 0.000 0.763 240 L CB -0.361 40.616 42.059 -1.802 0.000 0.908 240 L HN 0.202 nan 8.230 nan 0.000 0.437 241 F N -2.050 117.737 119.950 -0.272 0.000 2.592 241 F HA 0.136 4.663 4.527 -0.000 0.000 0.280 241 F C 0.949 176.738 175.800 -0.019 0.000 1.083 241 F CA -0.776 57.178 58.000 -0.077 0.000 1.365 241 F CB 0.098 39.083 39.000 -0.026 0.000 1.100 241 F HN -0.156 nan 8.300 nan 0.000 0.633 242 D N 4.491 124.976 120.400 0.142 0.000 2.493 242 D HA 0.040 4.680 4.640 -0.000 0.000 0.240 242 D C -2.111 174.212 176.300 0.038 0.000 1.142 242 D CA -0.633 53.434 54.000 0.110 0.000 0.872 242 D CB 0.331 41.191 40.800 0.101 0.000 1.173 242 D HN -0.011 nan 8.370 nan 0.000 0.467 243 P HA -0.060 nan 4.420 nan 0.000 0.265 243 P C -0.234 177.061 177.300 -0.009 0.000 1.187 243 P CA -0.083 63.028 63.100 0.018 0.000 0.766 243 P CB 0.719 32.431 31.700 0.019 0.000 0.820 244 V N 2.311 122.219 119.914 -0.011 0.000 2.834 244 V HA 0.601 4.721 4.120 -0.000 0.000 0.313 244 V C 0.499 176.570 176.094 -0.038 0.000 1.060 244 V CA -0.191 62.097 62.300 -0.021 0.000 0.989 244 V CB 1.475 33.296 31.823 -0.003 0.000 1.041 244 V HN 0.877 nan 8.190 nan 0.000 0.459 245 S N 1.215 116.869 115.700 -0.076 0.000 2.548 245 S HA 0.529 4.999 4.470 -0.000 0.000 0.278 245 S C -1.008 173.447 174.600 -0.240 0.000 1.150 245 S CA -0.984 57.098 58.200 -0.197 0.000 0.907 245 S CB 0.644 63.643 63.200 -0.335 0.000 1.108 245 S HN 0.883 nan 8.310 nan 0.000 0.459 246 Y N 0.894 121.193 120.300 -0.001 0.000 2.457 246 Y HA 0.639 5.189 4.550 -0.000 0.000 0.341 246 Y C -1.923 173.935 175.900 -0.070 0.000 1.240 246 Y CA -1.573 56.531 58.100 0.006 0.000 1.437 246 Y CB -0.176 38.308 38.460 0.040 0.000 1.328 246 Y HN 0.507 nan 8.280 nan 0.000 0.588 247 P HA 0.271 nan 4.420 nan 0.000 0.290 247 P C -1.661 175.266 177.300 -0.621 0.000 1.519 247 P CA -0.014 62.819 63.100 -0.446 0.000 1.189 247 P CB 0.154 31.503 31.700 -0.586 0.000 1.569 248 Y N 0.203 120.736 120.300 0.388 0.000 2.513 248 Y HA 0.268 4.818 4.550 -0.000 0.000 0.340 248 Y C 0.643 176.648 175.900 0.176 0.000 1.055 248 Y CA -1.329 56.914 58.100 0.239 0.000 1.020 248 Y CB 1.896 40.428 38.460 0.121 0.000 1.301 248 Y HN -0.273 nan 8.280 nan 0.000 0.453 249 K N 0.907 121.424 120.400 0.194 0.000 2.243 249 K HA 0.303 4.623 4.320 -0.000 0.000 0.232 249 K C -0.848 175.692 176.600 -0.099 0.000 1.237 249 K CA 0.107 56.358 56.287 -0.059 0.000 1.161 249 K CB -0.187 32.316 32.500 0.005 0.000 1.505 249 K HN 0.501 nan 8.250 nan 0.000 0.271 250 T N 2.607 117.069 114.554 -0.154 0.000 2.829 250 T HA 0.093 4.443 4.350 -0.000 0.000 0.282 250 T C -0.181 174.418 174.700 -0.168 0.000 0.990 250 T CA -0.717 61.320 62.100 -0.104 0.000 1.028 250 T CB 1.143 69.983 68.868 -0.047 0.000 0.951 250 T HN 0.650 nan 8.240 nan 0.000 0.460 251 D N 1.567 121.900 120.400 -0.112 0.000 2.696 251 D HA 0.024 4.664 4.640 -0.000 0.000 0.269 251 D C 0.080 176.341 176.300 -0.065 0.000 1.319 251 D CA -0.515 53.420 54.000 -0.109 0.000 0.826 251 D CB -0.165 40.578 40.800 -0.094 0.000 1.086 251 D HN 0.195 nan 8.370 nan 0.000 0.481 252 N N 1.432 120.102 118.700 -0.050 0.000 2.402 252 N HA -0.007 4.733 4.740 -0.000 0.000 0.259 252 N C 0.213 175.706 175.510 -0.028 0.000 1.167 252 N CA 0.017 53.048 53.050 -0.030 0.000 0.949 252 N CB 0.901 39.375 38.487 -0.021 0.000 1.212 252 N HN -0.082 nan 8.380 nan 0.000 0.493 253 D N 1.553 121.938 120.400 -0.025 0.000 2.271 253 D HA -0.152 4.488 4.640 -0.000 0.000 0.207 253 D C 1.291 177.589 176.300 -0.004 0.000 0.983 253 D CA 1.143 55.133 54.000 -0.015 0.000 0.878 253 D CB 0.371 41.164 40.800 -0.011 0.000 0.920 253 D HN 0.545 nan 8.370 nan 0.000 0.479 254 Q N -0.261 119.537 119.800 -0.004 0.000 2.230 254 Q HA -0.027 4.313 4.340 -0.000 0.000 0.202 254 Q C 2.153 178.155 176.000 0.004 0.000 0.963 254 Q CA 0.394 56.198 55.803 0.001 0.000 0.866 254 Q CB -0.094 28.643 28.738 -0.001 0.000 0.931 254 Q HN 0.280 nan 8.270 nan 0.000 0.452 255 V N 0.627 120.541 119.914 0.000 0.000 2.326 255 V HA -0.151 3.969 4.120 -0.000 0.000 0.238 255 V C 2.396 178.499 176.094 0.016 0.000 1.038 255 V CA 1.500 63.803 62.300 0.006 0.000 1.032 255 V CB -0.402 31.421 31.823 -0.001 0.000 0.675 255 V HN 0.274 nan 8.190 nan 0.000 0.467 256 K N -0.346 120.057 120.400 0.006 0.000 2.059 256 K HA -0.270 4.050 4.320 -0.000 0.000 0.212 256 K C 2.164 178.795 176.600 0.050 0.000 1.050 256 K CA 2.081 58.384 56.287 0.026 0.000 0.927 256 K CB -0.209 32.278 32.500 -0.022 0.000 0.714 256 K HN 0.212 nan 8.250 nan 0.000 0.447 257 M N -0.015 119.605 119.600 0.034 0.000 2.279 257 M HA -0.108 4.372 4.480 -0.000 0.000 0.264 257 M C 2.227 178.551 176.300 0.039 0.000 1.062 257 M CA 1.446 56.770 55.300 0.039 0.000 1.099 257 M CB -0.748 31.868 32.600 0.027 0.000 1.394 257 M HN 0.358 nan 8.290 nan 0.000 0.426 258 A N -0.300 122.539 122.820 0.033 0.000 1.975 258 A HA 0.042 4.362 4.320 -0.000 0.000 0.215 258 A C 2.229 179.835 177.584 0.036 0.000 1.170 258 A CA 0.472 52.527 52.037 0.029 0.000 0.656 258 A CB -0.380 18.631 19.000 0.018 0.000 0.821 258 A HN 0.390 nan 8.150 nan 0.000 0.449 259 L N -0.253 120.998 121.223 0.047 0.000 1.961 259 L HA -0.170 4.170 4.340 -0.000 0.000 0.209 259 L C 2.552 179.459 176.870 0.063 0.000 1.075 259 L CA 1.423 56.298 54.840 0.058 0.000 0.749 259 L CB -0.833 41.275 42.059 0.081 0.000 0.890 259 L HN 0.374 nan 8.230 nan 0.000 0.433 260 L N 0.167 121.434 121.223 0.074 0.000 2.051 260 L HA -0.288 4.052 4.340 -0.000 0.000 0.214 260 L C 2.667 179.570 176.870 0.055 0.000 1.076 260 L CA 1.729 56.608 54.840 0.065 0.000 0.758 260 L CB -0.919 41.184 42.059 0.073 0.000 0.890 260 L HN 0.336 nan 8.230 nan 0.000 0.433 261 K N 1.380 121.814 120.400 0.056 0.000 2.059 261 K HA -0.272 4.048 4.320 -0.000 0.000 0.212 261 K C 2.052 178.699 176.600 0.078 0.000 1.050 261 K CA 2.210 58.534 56.287 0.062 0.000 0.927 261 K CB -0.272 32.260 32.500 0.053 0.000 0.714 261 K HN 0.137 nan 8.250 nan 0.000 0.447 262 K N 0.368 120.805 120.400 0.062 0.000 2.044 262 K HA -0.090 4.230 4.320 -0.000 0.000 0.204 262 K C 2.179 178.833 176.600 0.089 0.000 1.049 262 K CA 1.410 57.738 56.287 0.068 0.000 0.945 262 K CB -0.217 32.292 32.500 0.014 0.000 0.724 262 K HN 0.391 nan 8.250 nan 0.000 0.440 263 E N 0.655 120.891 120.200 0.061 0.000 2.108 263 E HA -0.335 4.015 4.350 -0.000 0.000 0.203 263 E C 2.074 178.695 176.600 0.035 0.000 1.022 263 E CA 1.828 58.257 56.400 0.048 0.000 0.823 263 E CB -0.115 29.608 29.700 0.038 0.000 0.744 263 E HN 0.260 nan 8.360 nan 0.000 0.456 264 R N -0.414 120.100 120.500 0.025 0.000 2.120 264 R HA -0.203 4.137 4.340 -0.000 0.000 0.234 264 R C 2.648 178.935 176.300 -0.021 0.000 1.123 264 R CA 1.656 57.740 56.100 -0.027 0.000 0.975 264 R CB -0.376 29.901 30.300 -0.037 0.000 0.866 264 R HN 0.387 nan 8.270 nan 0.000 0.446 265 H N 0.365 119.413 119.070 -0.037 0.000 2.256 265 H HA -0.139 4.417 4.556 -0.000 0.000 0.299 265 H C 1.956 177.264 175.328 -0.033 0.000 1.071 265 H CA 2.241 58.270 56.048 -0.031 0.000 1.280 265 H CB -0.474 29.281 29.762 -0.012 0.000 1.370 265 H HN 0.356 nan 8.280 nan 0.000 0.490 266 C N 1.822 121.259 119.300 0.229 0.000 2.386 266 C HA -0.134 4.326 4.460 -0.000 0.000 0.279 266 C C 2.908 177.927 174.990 0.049 0.000 1.208 266 C CA 0.713 59.819 59.018 0.147 0.000 1.747 266 C CB -1.058 26.742 27.740 0.099 0.000 2.046 266 C HN 0.575 nan 8.230 nan 0.000 0.453 267 R N 0.416 120.928 120.500 0.020 0.000 2.190 267 R HA -0.244 4.096 4.340 -0.000 0.000 0.255 267 R C 2.042 178.323 176.300 -0.032 0.000 1.143 267 R CA 2.032 58.124 56.100 -0.013 0.000 0.965 267 R CB -1.221 29.044 30.300 -0.057 0.000 0.889 267 R HN 0.703 nan 8.270 nan 0.000 0.448 268 L N 0.299 121.460 121.223 -0.104 0.000 2.049 268 L HA -0.136 4.204 4.340 -0.000 0.000 0.203 268 L C 2.586 179.473 176.870 0.028 0.000 1.074 268 L CA 2.141 56.907 54.840 -0.124 0.000 0.749 268 L CB -0.592 41.304 42.059 -0.271 0.000 0.907 268 L HN 0.327 nan 8.230 nan 0.000 0.439 269 T N -3.494 111.032 114.554 -0.048 0.000 2.684 269 T HA -0.183 4.167 4.350 -0.000 0.000 0.267 269 T C 1.953 176.689 174.700 0.060 0.000 1.036 269 T CA 1.622 63.716 62.100 -0.009 0.000 1.148 269 T CB -0.909 67.936 68.868 -0.039 0.000 0.863 269 T HN 0.359 nan 8.240 nan 0.000 0.436 270 S N 0.458 116.199 115.700 0.070 0.000 2.420 270 S HA -0.099 4.371 4.470 -0.000 0.000 0.237 270 S C 1.357 176.035 174.600 0.130 0.000 1.023 270 S CA 1.417 59.664 58.200 0.078 0.000 0.991 270 S CB -0.600 62.645 63.200 0.074 0.000 0.792 270 S HN 0.784 nan 8.310 nan 0.000 0.488 271 W N 2.208 123.481 121.300 -0.046 0.000 2.418 271 W HA 0.010 4.669 4.660 -0.000 0.000 0.319 271 W C 1.654 178.153 176.519 -0.034 0.000 1.183 271 W CA 0.945 58.271 57.345 -0.031 0.000 1.327 271 W CB -0.569 28.867 29.460 -0.040 0.000 1.163 271 W HN 0.159 nan 8.180 nan 0.000 0.479 272 I N 0.907 121.603 120.570 0.209 0.000 2.381 272 I HA -0.348 3.822 4.170 -0.000 0.000 0.255 272 I C 2.033 178.024 176.117 -0.211 0.000 1.140 272 I CA 1.282 62.502 61.300 -0.134 0.000 1.404 272 I CB -1.220 36.795 38.000 0.026 0.000 1.075 272 I HN -0.079 nan 8.210 nan 0.000 0.433 273 V N 0.299 120.146 119.914 -0.112 0.000 2.407 273 V HA -0.253 3.867 4.120 -0.000 0.000 0.248 273 V C 2.462 178.460 176.094 -0.160 0.000 1.055 273 V CA 2.214 64.443 62.300 -0.118 0.000 1.049 273 V CB -0.491 31.292 31.823 -0.066 0.000 0.662 273 V HN 0.408 nan 8.190 nan 0.000 0.455 274 S N -0.981 114.604 115.700 -0.191 0.000 2.436 274 S HA -0.106 4.364 4.470 -0.000 0.000 0.228 274 S C 1.922 176.351 174.600 -0.285 0.000 1.014 274 S CA 0.636 58.714 58.200 -0.204 0.000 0.950 274 S CB -0.138 62.962 63.200 -0.167 0.000 0.784 274 S HN 0.571 nan 8.310 nan 0.000 0.504 275 Q N 0.476 120.013 119.800 -0.438 0.000 2.311 275 Q HA 0.212 4.552 4.340 -0.000 0.000 0.203 275 Q C 1.460 177.291 176.000 -0.282 0.000 0.954 275 Q CA 0.748 56.284 55.803 -0.446 0.000 0.885 275 Q CB -0.054 28.246 28.738 -0.730 0.000 0.963 275 Q HN 0.545 nan 8.270 nan 0.000 0.471 276 I N -0.292 120.130 120.570 -0.248 0.000 4.018 276 I HA 0.088 4.258 4.170 -0.000 0.000 0.337 276 I C 1.799 177.818 176.117 -0.163 0.000 1.327 276 I CA 0.050 61.237 61.300 -0.188 0.000 1.100 276 I CB 0.141 38.034 38.000 -0.178 0.000 1.025 276 I HN 0.064 nan 8.210 nan 0.000 0.396 277 G N 3.287 111.989 108.800 -0.164 0.000 2.511 277 G HA2 -0.174 3.786 3.960 -0.000 0.000 0.216 277 G HA3 -0.174 3.786 3.960 -0.000 0.000 0.216 277 G C -0.198 174.624 174.900 -0.129 0.000 1.218 277 G CA 0.993 46.006 45.100 -0.145 0.000 0.788 277 G HN 0.245 nan 8.290 nan 0.000 0.560 278 P HA -0.161 nan 4.420 nan 0.000 0.214 278 P C 1.514 178.753 177.300 -0.102 0.000 1.163 278 P CA 1.841 64.884 63.100 -0.095 0.000 0.889 278 P CB -0.154 31.497 31.700 -0.082 0.000 0.790 279 E N -0.598 119.535 120.200 -0.111 0.000 2.068 279 E HA -0.204 4.146 4.350 -0.000 0.000 0.207 279 E C 2.095 178.610 176.600 -0.141 0.000 1.032 279 E CA 1.498 57.826 56.400 -0.120 0.000 0.839 279 E CB -0.236 29.389 29.700 -0.125 0.000 0.758 279 E HN 0.081 nan 8.360 nan 0.000 0.457 280 I N 0.617 121.097 120.570 -0.149 0.000 2.270 280 I HA -0.159 4.011 4.170 -0.000 0.000 0.239 280 I C 2.326 178.361 176.117 -0.137 0.000 1.080 280 I CA 1.012 62.218 61.300 -0.157 0.000 1.383 280 I CB -1.237 36.667 38.000 -0.160 0.000 1.097 280 I HN 0.221 nan 8.210 nan 0.000 0.420 281 E N 0.762 120.874 120.200 -0.148 0.000 2.095 281 E HA -0.331 4.019 4.350 -0.000 0.000 0.212 281 E C 2.085 178.637 176.600 -0.080 0.000 1.044 281 E CA 2.154 58.474 56.400 -0.133 0.000 0.857 281 E CB -0.270 29.356 29.700 -0.124 0.000 0.764 281 E HN 0.447 nan 8.360 nan 0.000 0.462 282 E N 1.188 121.342 120.200 -0.077 0.000 2.072 282 E HA -0.233 4.117 4.350 -0.000 0.000 0.191 282 E C 1.936 178.504 176.600 -0.054 0.000 0.985 282 E CA 1.101 57.467 56.400 -0.057 0.000 0.801 282 E CB -0.068 29.597 29.700 -0.059 0.000 0.750 282 E HN 0.071 nan 8.360 nan 0.000 0.452 283 K N 0.397 120.750 120.400 -0.079 0.000 2.519 283 K HA -0.061 4.259 4.320 -0.000 0.000 0.196 283 K C 1.874 178.449 176.600 -0.041 0.000 1.041 283 K CA 0.483 56.721 56.287 -0.082 0.000 0.954 283 K CB -0.007 32.403 32.500 -0.149 0.000 0.774 283 K HN 0.218 nan 8.250 nan 0.000 0.480 284 I N 0.159 120.719 120.570 -0.017 0.000 2.867 284 I HA -0.108 4.062 4.170 -0.000 0.000 0.265 284 I C 1.842 177.982 176.117 0.039 0.000 1.162 284 I CA 0.257 61.580 61.300 0.038 0.000 1.471 284 I CB 0.008 38.062 38.000 0.090 0.000 1.123 284 I HN 0.100 nan 8.210 nan 0.000 0.440 285 R N 0.989 121.500 120.500 0.018 0.000 2.170 285 R HA -0.149 4.191 4.340 -0.000 0.000 0.242 285 R C 1.124 177.432 176.300 0.013 0.000 1.145 285 R CA 1.179 57.289 56.100 0.017 0.000 0.984 285 R CB -0.615 29.687 30.300 0.003 0.000 0.869 285 R HN 0.333 nan 8.270 nan 0.000 0.455 286 N N 0.729 119.433 118.700 0.007 0.000 2.501 286 N HA -0.037 4.703 4.740 -0.000 0.000 0.195 286 N C -0.474 175.047 175.510 0.018 0.000 1.213 286 N CA 0.414 53.469 53.050 0.007 0.000 0.864 286 N CB 0.393 38.878 38.487 -0.004 0.000 0.999 286 N HN 0.189 nan 8.380 nan 0.000 0.454 287 S N -2.225 113.491 115.700 0.027 0.000 2.519 287 S HA 0.364 4.834 4.470 -0.000 0.000 0.309 287 S C 0.825 175.442 174.600 0.029 0.000 1.100 287 S CA -0.811 57.409 58.200 0.033 0.000 1.059 287 S CB 2.224 65.454 63.200 0.049 0.000 1.008 287 S HN -0.052 nan 8.310 nan 0.000 0.478 288 S N 2.168 117.884 115.700 0.026 0.000 2.446 288 S HA 0.071 4.541 4.470 -0.000 0.000 0.225 288 S C 0.411 175.026 174.600 0.024 0.000 1.016 288 S CA 0.152 58.366 58.200 0.022 0.000 0.943 288 S CB -0.453 62.759 63.200 0.020 0.000 0.786 288 S HN 0.799 nan 8.310 nan 0.000 0.508 289 N N 2.444 121.163 118.700 0.032 0.000 2.408 289 N HA 0.124 4.863 4.740 -0.000 0.000 0.257 289 N C 0.341 175.871 175.510 0.034 0.000 1.064 289 N CA 0.012 53.083 53.050 0.035 0.000 0.952 289 N CB 1.279 39.793 38.487 0.045 0.000 1.093 289 N HN 0.475 nan 8.380 nan 0.000 0.490 290 E N 1.734 121.947 120.200 0.022 0.000 2.107 290 E HA -0.048 4.302 4.350 -0.000 0.000 0.191 290 E C 1.453 178.061 176.600 0.013 0.000 0.982 290 E CA 0.737 57.140 56.400 0.006 0.000 0.809 290 E CB 0.180 29.875 29.700 -0.008 0.000 0.756 290 E HN 0.576 nan 8.360 nan 0.000 0.459 291 I N 1.317 121.905 120.570 0.030 0.000 2.226 291 I HA -0.267 3.903 4.170 -0.000 0.000 0.245 291 I C 2.635 178.795 176.117 0.072 0.000 1.100 291 I CA 1.194 62.516 61.300 0.037 0.000 1.374 291 I CB -0.205 37.821 38.000 0.043 0.000 1.057 291 I HN 0.153 nan 8.210 nan 0.000 0.413 292 E N 0.749 121.002 120.200 0.088 0.000 2.106 292 E HA -0.257 4.093 4.350 -0.000 0.000 0.192 292 E C 2.189 178.895 176.600 0.177 0.000 0.984 292 E CA 1.049 57.541 56.400 0.153 0.000 0.806 292 E CB 0.060 29.836 29.700 0.128 0.000 0.750 292 E HN 0.514 nan 8.360 nan 0.000 0.458 293 Q N 0.201 120.065 119.800 0.107 0.000 2.096 293 Q HA -0.186 4.154 4.340 -0.000 0.000 0.204 293 Q C 2.345 178.408 176.000 0.106 0.000 0.982 293 Q CA 1.585 57.447 55.803 0.097 0.000 0.850 293 Q CB -0.075 28.671 28.738 0.014 0.000 0.901 293 Q HN 0.442 nan 8.270 nan 0.000 0.422 294 I N -0.055 120.546 120.570 0.050 0.000 2.113 294 I HA -0.274 3.896 4.170 -0.000 0.000 0.238 294 I C 2.237 178.447 176.117 0.156 0.000 1.070 294 I CA 1.054 62.377 61.300 0.038 0.000 1.332 294 I CB -0.546 37.451 38.000 -0.005 0.000 1.044 294 I HN 0.183 nan 8.210 nan 0.000 0.402 295 F N 2.055 122.015 119.950 0.016 0.000 2.184 295 F HA -0.246 4.281 4.527 -0.000 0.000 0.301 295 F C 2.179 178.037 175.800 0.096 0.000 1.076 295 F CA 1.575 59.588 58.000 0.021 0.000 1.295 295 F CB -0.432 38.575 39.000 0.012 0.000 1.026 295 F HN -0.057 nan 8.300 nan 0.000 0.494 296 L N -1.585 119.664 121.223 0.043 0.000 2.056 296 L HA -0.242 4.098 4.340 -0.000 0.000 0.207 296 L C 2.338 179.217 176.870 0.015 0.000 1.078 296 L CA 1.193 56.012 54.840 -0.036 0.000 0.749 296 L CB -1.035 41.082 42.059 0.096 0.000 0.901 296 L HN 0.082 nan 8.230 nan 0.000 0.433 297 Y N 0.284 120.545 120.300 -0.064 0.000 2.333 297 Y HA -0.204 4.346 4.550 -0.000 0.000 0.290 297 Y C 2.405 178.282 175.900 -0.039 0.000 1.144 297 Y CA 1.029 59.103 58.100 -0.043 0.000 1.228 297 Y CB -0.423 38.023 38.460 -0.022 0.000 0.985 297 Y HN 0.086 nan 8.280 nan 0.000 0.542 298 L N -1.134 120.140 121.223 0.085 0.000 2.056 298 L HA -0.233 4.107 4.340 -0.000 0.000 0.207 298 L C 2.268 179.184 176.870 0.075 0.000 1.078 298 L CA 0.993 55.874 54.840 0.069 0.000 0.749 298 L CB -0.697 41.352 42.059 -0.017 0.000 0.901 298 L HN 0.192 nan 8.230 nan 0.000 0.433 299 L N -0.156 121.011 121.223 -0.094 0.000 2.351 299 L HA -0.208 4.132 4.340 -0.000 0.000 0.220 299 L C 1.674 178.512 176.870 -0.054 0.000 1.127 299 L CA 0.893 55.678 54.840 -0.093 0.000 0.786 299 L CB -0.010 41.926 42.059 -0.204 0.000 0.914 299 L HN 0.337 nan 8.230 nan 0.000 0.443 300 L N -1.281 119.904 121.223 -0.063 0.000 2.769 300 L HA 0.153 4.493 4.340 -0.000 0.000 0.240 300 L C 0.709 177.553 176.870 -0.044 0.000 1.163 300 L CA -0.180 54.606 54.840 -0.091 0.000 0.962 300 L CB -0.142 41.812 42.059 -0.173 0.000 1.258 300 L HN 0.280 nan 8.230 nan 0.000 0.513 301 N N 1.424 120.138 118.700 0.023 0.000 2.741 301 N HA -0.242 4.498 4.740 -0.000 0.000 0.250 301 N C -0.056 175.487 175.510 0.055 0.000 1.115 301 N CA 0.681 53.766 53.050 0.059 0.000 0.724 301 N CB -0.992 37.492 38.487 -0.006 0.000 1.090 301 N HN 0.410 nan 8.380 nan 0.000 0.558 302 D N 0.224 120.653 120.400 0.050 0.000 2.485 302 D HA 0.255 4.895 4.640 -0.000 0.000 0.221 302 D C 1.104 177.475 176.300 0.119 0.000 1.112 302 D CA -0.365 53.673 54.000 0.063 0.000 0.911 302 D CB 0.783 41.596 40.800 0.022 0.000 1.019 302 D HN 0.061 nan 8.370 nan 0.000 0.516 303 V N 3.455 123.425 119.914 0.092 0.000 2.346 303 V HA -0.173 3.947 4.120 -0.000 0.000 0.244 303 V C 2.510 178.638 176.094 0.057 0.000 1.037 303 V CA 0.787 63.130 62.300 0.072 0.000 1.029 303 V CB -0.059 31.798 31.823 0.056 0.000 0.663 303 V HN 0.453 nan 8.190 nan 0.000 0.454 304 V N 0.290 120.237 119.914 0.055 0.000 2.250 304 V HA -0.346 3.774 4.120 -0.000 0.000 0.250 304 V C 2.574 178.698 176.094 0.049 0.000 1.060 304 V CA 2.466 64.791 62.300 0.041 0.000 1.030 304 V CB -0.791 31.056 31.823 0.040 0.000 0.643 304 V HN 0.484 nan 8.190 nan 0.000 0.445 305 R N -0.381 120.187 120.500 0.113 0.000 2.115 305 R HA 0.021 4.361 4.340 -0.000 0.000 0.226 305 R C 2.404 178.697 176.300 -0.013 0.000 1.100 305 R CA 1.148 57.318 56.100 0.118 0.000 0.980 305 R CB -0.506 30.008 30.300 0.356 0.000 0.875 305 R HN 0.546 nan 8.270 nan 0.000 0.445 306 A N 0.560 123.432 122.820 0.087 0.000 1.933 306 A HA -0.194 4.126 4.320 -0.000 0.000 0.218 306 A C 2.181 179.721 177.584 -0.073 0.000 1.175 306 A CA 1.918 53.949 52.037 -0.011 0.000 0.628 306 A CB -0.474 18.578 19.000 0.087 0.000 0.814 306 A HN 0.309 nan 8.150 nan 0.000 0.444 307 S N -0.581 115.091 115.700 -0.045 0.000 2.335 307 S HA -0.161 4.309 4.470 -0.000 0.000 0.217 307 S C 2.048 176.607 174.600 -0.069 0.000 1.032 307 S CA 1.589 59.752 58.200 -0.061 0.000 0.985 307 S CB -0.346 62.826 63.200 -0.047 0.000 0.896 307 S HN 0.559 nan 8.310 nan 0.000 0.445 308 K N 0.326 120.690 120.400 -0.060 0.000 2.052 308 K HA -0.195 4.125 4.320 -0.000 0.000 0.215 308 K C 2.093 178.643 176.600 -0.085 0.000 1.053 308 K CA 1.832 58.083 56.287 -0.061 0.000 0.934 308 K CB -0.628 31.842 32.500 -0.050 0.000 0.717 308 K HN 0.324 nan 8.250 nan 0.000 0.450 309 L N 0.916 122.056 121.223 -0.138 0.000 2.013 309 L HA -0.238 4.102 4.340 -0.000 0.000 0.212 309 L C 2.261 179.071 176.870 -0.100 0.000 1.073 309 L CA 2.057 56.804 54.840 -0.154 0.000 0.753 309 L CB -0.703 41.198 42.059 -0.265 0.000 0.890 309 L HN 0.219 nan 8.230 nan 0.000 0.432 310 A N -0.360 122.403 122.820 -0.094 0.000 1.892 310 A HA -0.252 4.068 4.320 -0.000 0.000 0.218 310 A C 2.259 179.820 177.584 -0.037 0.000 1.188 310 A CA 2.440 54.436 52.037 -0.069 0.000 0.631 310 A CB -0.967 17.978 19.000 -0.091 0.000 0.822 310 A HN 0.526 nan 8.150 nan 0.000 0.447 311 I N -0.917 119.630 120.570 -0.038 0.000 2.202 311 I HA -0.219 3.951 4.170 -0.000 0.000 0.242 311 I C 2.472 178.581 176.117 -0.014 0.000 1.091 311 I CA 1.684 62.973 61.300 -0.017 0.000 1.368 311 I CB -0.354 37.633 38.000 -0.022 0.000 1.058 311 I HN 0.503 nan 8.210 nan 0.000 0.410 312 E N 0.883 121.067 120.200 -0.027 0.000 2.401 312 E HA -0.191 4.159 4.350 -0.000 0.000 0.199 312 E C 1.688 178.277 176.600 -0.017 0.000 1.023 312 E CA 1.209 57.595 56.400 -0.024 0.000 0.859 312 E CB 0.115 29.794 29.700 -0.035 0.000 0.780 312 E HN 0.515 nan 8.360 nan 0.000 0.523 313 S N -0.356 115.336 115.700 -0.014 0.000 2.554 313 S HA 0.174 4.644 4.470 -0.000 0.000 0.226 313 S C 0.505 175.115 174.600 0.017 0.000 0.980 313 S CA -0.005 58.194 58.200 -0.002 0.000 0.939 313 S CB 0.326 63.523 63.200 -0.006 0.000 0.832 313 S HN 0.223 nan 8.310 nan 0.000 0.486 314 K N 1.390 121.802 120.400 0.021 0.000 3.161 314 K HA -0.118 4.202 4.320 -0.000 0.000 0.270 314 K C -1.061 175.581 176.600 0.070 0.000 1.115 314 K CA 0.744 57.052 56.287 0.035 0.000 0.789 314 K CB -2.282 30.232 32.500 0.024 0.000 1.256 314 K HN 0.493 nan 8.250 nan 0.000 0.492 315 N N -0.691 118.063 118.700 0.090 0.000 2.622 315 N HA 0.164 4.904 4.740 -0.000 0.000 0.304 315 N C 0.994 176.604 175.510 0.166 0.000 1.844 315 N CA 0.451 53.608 53.050 0.179 0.000 0.886 315 N CB 1.017 39.572 38.487 0.113 0.000 1.366 315 N HN 0.364 nan 8.380 nan 0.000 0.491 316 G N 1.147 110.055 108.800 0.179 0.000 2.446 316 G HA2 -0.317 3.643 3.960 -0.000 0.000 0.217 316 G HA3 -0.317 3.643 3.960 -0.000 0.000 0.217 316 G C 1.380 176.351 174.900 0.118 0.000 1.168 316 G CA 1.211 46.380 45.100 0.114 0.000 0.771 316 G HN 0.559 nan 8.290 nan 0.000 0.551 317 H N 1.064 120.143 119.070 0.016 0.000 2.444 317 H HA -0.139 4.417 4.556 -0.000 0.000 0.294 317 H C 2.326 177.651 175.328 -0.005 0.000 1.125 317 H CA 1.521 57.588 56.048 0.031 0.000 1.230 317 H CB -1.086 28.726 29.762 0.084 0.000 1.361 317 H HN 0.384 nan 8.280 nan 0.000 0.508 318 L N 0.254 121.135 121.223 -0.569 0.000 2.027 318 L HA -0.141 4.199 4.340 -0.000 0.000 0.206 318 L C 2.896 179.619 176.870 -0.244 0.000 1.074 318 L CA 1.368 55.928 54.840 -0.466 0.000 0.745 318 L CB -0.689 41.099 42.059 -0.453 0.000 0.898 318 L HN 0.281 nan 8.230 nan 0.000 0.433 319 S N -0.433 115.168 115.700 -0.165 0.000 2.440 319 S HA -0.148 4.322 4.470 -0.000 0.000 0.240 319 S C 1.855 176.370 174.600 -0.141 0.000 1.014 319 S CA 1.047 59.173 58.200 -0.123 0.000 0.980 319 S CB -0.125 63.027 63.200 -0.081 0.000 0.775 319 S HN 0.198 nan 8.310 nan 0.000 0.499 320 V N 1.932 121.764 119.914 -0.137 0.000 2.273 320 V HA -0.096 4.024 4.120 -0.000 0.000 0.242 320 V C 2.288 178.243 176.094 -0.232 0.000 1.035 320 V CA 1.708 63.901 62.300 -0.179 0.000 1.013 320 V CB -0.701 31.077 31.823 -0.075 0.000 0.652 320 V HN 0.474 nan 8.190 nan 0.000 0.452 321 L N -0.303 120.842 121.223 -0.129 0.000 1.989 321 L HA -0.223 4.117 4.340 -0.000 0.000 0.211 321 L C 2.478 179.285 176.870 -0.105 0.000 1.071 321 L CA 1.888 56.688 54.840 -0.066 0.000 0.749 321 L CB -0.927 41.020 42.059 -0.187 0.000 0.890 321 L HN 0.220 nan 8.230 nan 0.000 0.431 322 I N 0.148 120.622 120.570 -0.160 0.000 2.290 322 I HA -0.383 3.787 4.170 -0.000 0.000 0.253 322 I C 2.958 179.016 176.117 -0.099 0.000 1.112 322 I CA 1.677 62.900 61.300 -0.129 0.000 1.377 322 I CB -0.269 37.657 38.000 -0.123 0.000 1.060 322 I HN 0.368 nan 8.210 nan 0.000 0.428 323 S N 0.122 115.721 115.700 -0.169 0.000 2.356 323 S HA -0.221 4.249 4.470 -0.000 0.000 0.223 323 S C 2.088 176.604 174.600 -0.140 0.000 1.032 323 S CA 1.371 59.444 58.200 -0.211 0.000 1.005 323 S CB -0.421 62.542 63.200 -0.395 0.000 0.867 323 S HN 0.494 nan 8.310 nan 0.000 0.449 324 Y N 0.613 120.898 120.300 -0.024 0.000 2.314 324 Y HA -0.025 4.525 4.550 -0.000 0.000 0.293 324 Y C 2.317 178.210 175.900 -0.011 0.000 1.129 324 Y CA 0.412 58.502 58.100 -0.015 0.000 1.201 324 Y CB -0.243 38.207 38.460 -0.016 0.000 0.999 324 Y HN 0.273 nan 8.280 nan 0.000 0.541 325 L N 0.675 121.968 121.223 0.117 0.000 2.030 325 L HA -0.274 4.066 4.340 -0.000 0.000 0.222 325 L C 2.397 179.344 176.870 0.129 0.000 1.082 325 L CA 2.365 57.245 54.840 0.066 0.000 0.785 325 L CB -1.192 40.847 42.059 -0.033 0.000 0.895 325 L HN 0.237 nan 8.230 nan 0.000 0.439 326 G N -1.886 106.984 108.800 0.118 0.000 2.470 326 G HA2 -0.140 3.819 3.960 -0.000 0.000 0.220 326 G HA3 -0.140 3.819 3.960 -0.000 0.000 0.220 326 G C 0.931 175.877 174.900 0.077 0.000 1.121 326 G CA 0.904 46.068 45.100 0.107 0.000 0.766 326 G HN 0.512 nan 8.290 nan 0.000 0.553 327 S N -0.691 115.062 115.700 0.089 0.000 2.590 327 S HA 0.429 4.899 4.470 -0.000 0.000 0.282 327 S C -0.106 174.518 174.600 0.040 0.000 1.136 327 S CA -0.665 57.571 58.200 0.061 0.000 1.030 327 S CB 0.900 64.151 63.200 0.085 0.000 1.195 327 S HN 0.214 nan 8.310 nan 0.000 0.506 328 N N 2.013 120.720 118.700 0.012 0.000 2.690 328 N HA 0.191 4.931 4.740 -0.000 0.000 0.255 328 N C -2.241 173.250 175.510 -0.033 0.000 1.195 328 N CA -0.061 52.983 53.050 -0.010 0.000 0.790 328 N CB 0.723 39.196 38.487 -0.022 0.000 1.216 328 N HN 0.526 nan 8.380 nan 0.000 0.528 329 D N 3.461 123.827 120.400 -0.056 0.000 2.440 329 D HA 0.301 4.941 4.640 -0.000 0.000 0.239 329 D C -1.525 174.719 176.300 -0.094 0.000 1.084 329 D CA -1.787 52.152 54.000 -0.102 0.000 0.843 329 D CB 2.463 43.138 40.800 -0.209 0.000 1.097 329 D HN 0.237 nan 8.370 nan 0.000 0.531 330 P HA -0.174 nan 4.420 nan 0.000 0.216 330 P C 1.216 178.481 177.300 -0.057 0.000 1.150 330 P CA 0.788 63.858 63.100 -0.051 0.000 0.837 330 P CB 0.736 32.412 31.700 -0.040 0.000 0.786 331 R N -0.468 119.984 120.500 -0.081 0.000 2.154 331 R HA -0.190 4.150 4.340 -0.000 0.000 0.236 331 R C 2.487 178.747 176.300 -0.067 0.000 1.121 331 R CA 1.812 57.865 56.100 -0.079 0.000 0.915 331 R CB -1.368 28.860 30.300 -0.121 0.000 0.856 331 R HN 0.157 nan 8.270 nan 0.000 0.431 332 I N 0.464 120.964 120.570 -0.117 0.000 2.069 332 I HA -0.325 3.845 4.170 -0.000 0.000 0.237 332 I C 2.588 178.703 176.117 -0.003 0.000 1.053 332 I CA 1.557 62.818 61.300 -0.065 0.000 1.311 332 I CB -0.626 37.301 38.000 -0.123 0.000 1.030 332 I HN 0.143 nan 8.210 nan 0.000 0.398 333 R N 0.511 121.000 120.500 -0.018 0.000 2.196 333 R HA -0.294 4.046 4.340 -0.000 0.000 0.244 333 R C 2.113 178.419 176.300 0.011 0.000 1.121 333 R CA 2.592 58.693 56.100 0.001 0.000 0.930 333 R CB -0.539 29.754 30.300 -0.013 0.000 0.890 333 R HN 0.441 nan 8.270 nan 0.000 0.435 334 D N 0.066 120.466 120.400 0.001 0.000 2.097 334 D HA -0.172 4.468 4.640 -0.000 0.000 0.195 334 D C 1.925 178.236 176.300 0.019 0.000 0.989 334 D CA 1.212 55.216 54.000 0.006 0.000 0.827 334 D CB -0.312 40.487 40.800 -0.002 0.000 0.966 334 D HN 0.178 nan 8.370 nan 0.000 0.456 335 L N 1.281 122.521 121.223 0.029 0.000 2.051 335 L HA -0.209 4.131 4.340 -0.000 0.000 0.214 335 L C 2.078 178.990 176.870 0.070 0.000 1.076 335 L CA 1.956 56.829 54.840 0.055 0.000 0.758 335 L CB -0.927 41.177 42.059 0.076 0.000 0.890 335 L HN -0.040 nan 8.230 nan 0.000 0.433 336 A N -0.765 122.110 122.820 0.092 0.000 1.821 336 A HA -0.239 4.081 4.320 -0.000 0.000 0.215 336 A C 2.273 179.855 177.584 -0.003 0.000 1.214 336 A CA 1.621 53.728 52.037 0.116 0.000 0.608 336 A CB -1.019 18.075 19.000 0.156 0.000 0.862 336 A HN 0.545 nan 8.150 nan 0.000 0.448 337 E N -0.656 119.548 120.200 0.006 0.000 2.065 337 E HA -0.206 4.144 4.350 -0.000 0.000 0.201 337 E C 1.968 178.553 176.600 -0.024 0.000 1.016 337 E CA 1.293 57.682 56.400 -0.017 0.000 0.818 337 E CB -0.194 29.504 29.700 -0.004 0.000 0.749 337 E HN 0.389 nan 8.360 nan 0.000 0.453 338 L N 0.954 122.175 121.223 -0.004 0.000 2.129 338 L HA -0.247 4.093 4.340 -0.000 0.000 0.212 338 L C 2.394 179.279 176.870 0.026 0.000 1.087 338 L CA 1.693 56.538 54.840 0.008 0.000 0.757 338 L CB -1.108 40.961 42.059 0.015 0.000 0.896 338 L HN 0.333 nan 8.230 nan 0.000 0.434 339 Q N -1.033 118.778 119.800 0.018 0.000 2.020 339 Q HA -0.146 4.194 4.340 -0.000 0.000 0.198 339 Q C 2.286 178.350 176.000 0.106 0.000 0.974 339 Q CA 0.766 56.631 55.803 0.104 0.000 0.829 339 Q CB 0.021 28.776 28.738 0.029 0.000 0.894 339 Q HN 0.366 nan 8.270 nan 0.000 0.433 340 L N 1.183 122.287 121.223 -0.199 0.000 2.030 340 L HA -0.323 4.017 4.340 -0.000 0.000 0.222 340 L C 2.394 179.212 176.870 -0.086 0.000 1.082 340 L CA 2.041 56.728 54.840 -0.256 0.000 0.785 340 L CB -1.361 40.601 42.059 -0.163 0.000 0.895 340 L HN 0.430 nan 8.230 nan 0.000 0.439 341 Q N -0.671 119.097 119.800 -0.053 0.000 2.112 341 Q HA -0.283 4.057 4.340 -0.000 0.000 0.206 341 Q C 2.284 178.290 176.000 0.010 0.000 0.987 341 Q CA 2.061 57.834 55.803 -0.050 0.000 0.858 341 Q CB -0.159 28.561 28.738 -0.030 0.000 0.905 341 Q HN 0.437 nan 8.270 nan 0.000 0.420 342 K N -0.013 120.444 120.400 0.094 0.000 2.057 342 K HA -0.179 4.141 4.320 -0.000 0.000 0.207 342 K C 1.388 178.065 176.600 0.128 0.000 1.049 342 K CA 1.271 57.615 56.287 0.095 0.000 0.931 342 K CB -0.081 32.475 32.500 0.094 0.000 0.714 342 K HN 0.212 nan 8.250 nan 0.000 0.440 343 W N 1.114 122.356 121.300 -0.097 0.000 2.632 343 W HA -0.078 4.582 4.660 -0.000 0.000 0.248 343 W C 2.017 178.485 176.519 -0.085 0.000 1.259 343 W CA 1.076 58.381 57.345 -0.066 0.000 1.288 343 W CB -0.388 29.064 29.460 -0.013 0.000 1.136 343 W HN 0.211 nan 8.180 nan 0.000 0.640 344 S N -2.479 113.252 115.700 0.051 0.000 2.575 344 S HA 0.111 4.581 4.470 -0.000 0.000 0.215 344 S C 0.639 175.230 174.600 -0.015 0.000 0.966 344 S CA -0.091 58.083 58.200 -0.044 0.000 0.911 344 S CB -0.255 62.847 63.200 -0.164 0.000 0.780 344 S HN -0.079 nan 8.310 nan 0.000 0.514 345 T N 2.663 117.213 114.554 -0.006 0.000 2.781 345 T HA 0.564 4.913 4.350 -0.000 0.000 0.305 345 T C 0.998 175.685 174.700 -0.021 0.000 1.001 345 T CA -0.039 62.051 62.100 -0.017 0.000 0.950 345 T CB 0.655 69.509 68.868 -0.023 0.000 0.955 345 T HN 0.541 nan 8.240 nan 0.000 0.471 346 G N 3.208 112.000 108.800 -0.014 0.000 2.468 346 G HA2 -0.179 3.781 3.960 -0.000 0.000 0.311 346 G HA3 -0.179 3.781 3.960 -0.000 0.000 0.311 346 G C 0.485 175.365 174.900 -0.033 0.000 0.942 346 G CA 0.187 45.276 45.100 -0.018 0.000 0.893 346 G HN 1.071 nan 8.290 nan 0.000 0.513 347 G N -0.835 107.946 108.800 -0.032 0.000 3.378 347 G HA2 0.556 4.516 3.960 -0.000 0.000 0.332 347 G HA3 0.556 4.516 3.960 -0.000 0.000 0.332 347 G C 0.473 175.363 174.900 -0.016 0.000 1.490 347 G CA 0.187 45.245 45.100 -0.071 0.000 1.068 347 G HN 0.989 nan 8.290 nan 0.000 0.492 348 C N 0.041 119.342 119.300 0.002 0.000 2.566 348 C HA 0.850 5.310 4.460 -0.000 0.000 0.401 348 C C 1.636 176.645 174.990 0.031 0.000 2.232 348 C CA 0.082 59.127 59.018 0.045 0.000 1.808 348 C CB 1.068 28.835 27.740 0.045 0.000 2.068 348 C HN 1.211 nan 8.230 nan 0.000 0.441 349 S N -1.039 114.691 115.700 0.049 0.000 3.586 349 S HA -0.192 4.278 4.470 -0.000 0.000 0.309 349 S C -0.374 174.265 174.600 0.065 0.000 1.195 349 S CA 0.586 58.811 58.200 0.043 0.000 0.895 349 S CB -1.903 61.307 63.200 0.015 0.000 0.983 349 S HN 0.600 nan 8.310 nan 0.000 0.563 350 I N 2.147 122.787 120.570 0.118 0.000 2.392 350 I HA 0.357 4.527 4.170 -0.000 0.000 0.295 350 I C 0.447 176.669 176.117 0.174 0.000 0.985 350 I CA -0.825 60.597 61.300 0.204 0.000 1.221 350 I CB 1.104 39.347 38.000 0.405 0.000 1.366 350 I HN 0.183 nan 8.210 nan 0.000 0.467 351 D N 5.992 126.487 120.400 0.158 0.000 2.443 351 D HA 0.017 4.657 4.640 -0.000 0.000 0.239 351 D C 0.937 177.249 176.300 0.020 0.000 1.136 351 D CA 0.218 54.266 54.000 0.080 0.000 0.879 351 D CB 1.179 42.020 40.800 0.069 0.000 1.195 351 D HN 0.449 nan 8.370 nan 0.000 0.443 352 K N 1.810 122.184 120.400 -0.044 0.000 2.283 352 K HA -0.076 4.244 4.320 -0.000 0.000 0.202 352 K C 1.130 177.583 176.600 -0.245 0.000 1.048 352 K CA 0.575 56.766 56.287 -0.160 0.000 0.948 352 K CB 0.199 32.620 32.500 -0.133 0.000 0.742 352 K HN 0.348 nan 8.250 nan 0.000 0.458 353 N N 1.301 119.904 118.700 -0.162 0.000 2.207 353 N HA -0.038 4.701 4.740 -0.000 0.000 0.182 353 N C 1.971 177.357 175.510 -0.206 0.000 1.020 353 N CA 0.897 53.813 53.050 -0.223 0.000 0.858 353 N CB -0.135 38.310 38.487 -0.070 0.000 0.991 353 N HN 0.169 nan 8.380 nan 0.000 0.427 354 I N 1.498 122.030 120.570 -0.063 0.000 2.286 354 I HA -0.235 3.935 4.170 -0.000 0.000 0.248 354 I C 2.526 178.611 176.117 -0.054 0.000 1.115 354 I CA 0.942 62.251 61.300 0.015 0.000 1.392 354 I CB -0.384 37.754 38.000 0.229 0.000 1.065 354 I HN 0.154 nan 8.210 nan 0.000 0.418 355 S N 1.415 117.006 115.700 -0.182 0.000 2.335 355 S HA -0.199 4.271 4.470 -0.000 0.000 0.216 355 S C 1.972 176.362 174.600 -0.350 0.000 1.032 355 S CA 0.859 58.861 58.200 -0.329 0.000 1.000 355 S CB -0.606 62.314 63.200 -0.466 0.000 0.928 355 S HN 0.320 nan 8.310 nan 0.000 0.434 356 K N 1.057 121.160 120.400 -0.496 0.000 2.144 356 K HA -0.127 4.193 4.320 -0.000 0.000 0.209 356 K C 2.102 178.410 176.600 -0.487 0.000 1.047 356 K CA 1.975 57.893 56.287 -0.616 0.000 0.927 356 K CB -0.644 31.197 32.500 -1.098 0.000 0.716 356 K HN 0.507 nan 8.250 nan 0.000 0.454 357 I N -0.591 119.732 120.570 -0.411 0.000 2.202 357 I HA -0.263 3.907 4.170 -0.000 0.000 0.242 357 I C 1.977 177.933 176.117 -0.270 0.000 1.091 357 I CA 1.342 62.476 61.300 -0.278 0.000 1.368 357 I CB -0.428 37.410 38.000 -0.270 0.000 1.058 357 I HN 0.123 nan 8.210 nan 0.000 0.410 358 Y N 1.350 121.503 120.300 -0.244 0.000 2.207 358 Y HA -0.310 4.240 4.550 -0.000 0.000 0.287 358 Y C 2.612 178.406 175.900 -0.177 0.000 1.156 358 Y CA 1.744 59.719 58.100 -0.208 0.000 1.182 358 Y CB -0.312 37.976 38.460 -0.287 0.000 0.979 358 Y HN 0.072 nan 8.280 nan 0.000 0.521 359 K N 1.044 121.413 120.400 -0.052 0.000 2.103 359 K HA -0.167 4.153 4.320 -0.000 0.000 0.207 359 K C 1.532 178.082 176.600 -0.082 0.000 1.048 359 K CA 1.548 57.796 56.287 -0.064 0.000 0.930 359 K CB -0.724 31.707 32.500 -0.116 0.000 0.716 359 K HN 0.373 nan 8.250 nan 0.000 0.444 360 L N 0.366 121.510 121.223 -0.131 0.000 2.456 360 L HA -0.082 4.258 4.340 -0.000 0.000 0.224 360 L C 1.916 178.702 176.870 -0.138 0.000 1.148 360 L CA 0.550 55.288 54.840 -0.170 0.000 0.825 360 L CB -0.288 41.558 42.059 -0.355 0.000 0.937 360 L HN 0.192 nan 8.230 nan 0.000 0.450 361 L N -1.218 119.948 121.223 -0.093 0.000 2.316 361 L HA -0.047 4.293 4.340 -0.000 0.000 0.207 361 L C 2.793 179.663 176.870 0.001 0.000 1.070 361 L CA 0.794 55.610 54.840 -0.040 0.000 0.820 361 L CB -0.359 41.685 42.059 -0.024 0.000 0.992 361 L HN 0.295 nan 8.230 nan 0.000 0.466 362 S N -0.085 115.619 115.700 0.005 0.000 2.400 362 S HA -0.165 4.305 4.470 -0.000 0.000 0.234 362 S C 1.493 176.098 174.600 0.009 0.000 1.049 362 S CA 1.660 59.866 58.200 0.011 0.000 1.039 362 S CB -0.396 62.809 63.200 0.008 0.000 0.856 362 S HN 0.633 nan 8.310 nan 0.000 0.465 363 G N 0.746 109.552 108.800 0.011 0.000 1.929 363 G HA2 -0.096 3.864 3.960 -0.000 0.000 0.219 363 G HA3 -0.096 3.864 3.960 -0.000 0.000 0.219 363 G C 0.001 174.912 174.900 0.018 0.000 2.200 363 G CA 0.031 45.141 45.100 0.017 0.000 1.552 363 G HN 1.579 nan 8.290 nan 0.000 0.498 364 S N 2.879 118.589 115.700 0.017 0.000 2.416 364 S HA 0.633 5.103 4.470 -0.000 0.000 0.287 364 S C -0.954 173.642 174.600 -0.007 0.000 1.139 364 S CA -0.225 57.989 58.200 0.024 0.000 1.058 364 S CB 2.431 65.661 63.200 0.050 0.000 0.967 364 S HN 0.589 nan 8.310 nan 0.000 0.495 365 P HA 0.151 nan 4.420 nan 0.000 0.232 365 P C 0.822 178.027 177.300 -0.158 0.000 1.170 365 P CA 0.308 63.292 63.100 -0.193 0.000 0.824 365 P CB 0.053 31.528 31.700 -0.375 0.000 0.896 366 F N 1.714 121.712 119.950 0.080 0.000 2.387 366 F HA 0.047 4.574 4.527 -0.000 0.000 0.294 366 F C 1.798 177.638 175.800 0.066 0.000 1.093 366 F CA 0.285 58.335 58.000 0.083 0.000 1.420 366 F CB -0.115 38.900 39.000 0.023 0.000 1.086 366 F HN -0.050 nan 8.300 nan 0.000 0.531 367 E N 0.598 120.924 120.200 0.210 0.000 2.411 367 E HA 0.334 4.684 4.350 -0.000 0.000 0.228 367 E C 0.487 177.147 176.600 0.101 0.000 1.169 367 E CA -0.359 56.123 56.400 0.135 0.000 1.421 367 E CB -0.012 29.747 29.700 0.098 0.000 1.333 367 E HN 0.198 nan 8.360 nan 0.000 0.434 368 G N 0.356 109.222 108.800 0.110 0.000 2.613 368 G HA2 0.316 4.276 3.960 -0.000 0.000 0.303 368 G HA3 0.316 4.276 3.960 -0.000 0.000 0.303 368 G C 0.509 175.461 174.900 0.087 0.000 1.312 368 G CA -0.926 44.225 45.100 0.084 0.000 1.036 368 G HN 0.255 nan 8.290 nan 0.000 0.513 369 L N -1.150 120.112 121.223 0.064 0.000 2.552 369 L HA 0.324 4.664 4.340 -0.000 0.000 0.227 369 L C 1.021 177.922 176.870 0.052 0.000 1.146 369 L CA 0.775 55.626 54.840 0.019 0.000 0.858 369 L CB -0.009 42.027 42.059 -0.039 0.000 0.969 369 L HN 0.444 nan 8.230 nan 0.000 0.451 370 F N -0.622 119.319 119.950 -0.016 0.000 2.790 370 F HA 0.155 4.682 4.527 -0.000 0.000 0.347 370 F C 1.126 176.918 175.800 -0.014 0.000 1.252 370 F CA -0.737 57.247 58.000 -0.027 0.000 1.109 370 F CB 0.823 39.779 39.000 -0.073 0.000 1.205 370 F HN -0.092 nan 8.300 nan 0.000 0.510 371 S N 1.008 116.837 115.700 0.214 0.000 2.688 371 S HA -0.185 4.285 4.470 -0.000 0.000 0.324 371 S C 0.719 175.395 174.600 0.127 0.000 1.240 371 S CA 0.481 58.781 58.200 0.166 0.000 1.011 371 S CB 0.440 63.755 63.200 0.191 0.000 0.676 371 S HN 0.525 nan 8.310 nan 0.000 0.454 372 L N 3.448 124.799 121.223 0.213 0.000 2.766 372 L HA 0.234 4.574 4.340 -0.000 0.000 0.242 372 L C 1.954 179.072 176.870 0.412 0.000 1.136 372 L CA -0.104 54.874 54.840 0.230 0.000 0.933 372 L CB -0.138 41.999 42.059 0.130 0.000 1.241 372 L HN 0.682 nan 8.230 nan 0.000 0.522 373 K N 0.935 121.583 120.400 0.414 0.000 2.362 373 K HA -0.220 4.100 4.320 -0.000 0.000 0.202 373 K C 1.653 178.262 176.600 0.014 0.000 1.045 373 K CA 1.575 58.000 56.287 0.230 0.000 0.936 373 K CB -0.021 32.611 32.500 0.220 0.000 0.747 373 K HN 0.546 nan 8.250 nan 0.000 0.467 374 E N 1.140 121.366 120.200 0.043 0.000 2.204 374 E HA -0.162 4.188 4.350 -0.000 0.000 0.194 374 E C 1.635 178.202 176.600 -0.055 0.000 0.989 374 E CA 0.699 57.094 56.400 -0.008 0.000 0.824 374 E CB -0.413 29.291 29.700 0.007 0.000 0.756 374 E HN 0.295 nan 8.360 nan 0.000 0.477 375 L N 1.153 122.309 121.223 -0.112 0.000 2.450 375 L HA -0.097 4.243 4.340 -0.000 0.000 0.224 375 L C 1.927 178.714 176.870 -0.138 0.000 1.149 375 L CA 0.962 55.634 54.840 -0.280 0.000 0.816 375 L CB -0.616 41.079 42.059 -0.606 0.000 0.932 375 L HN 0.153 nan 8.230 nan 0.000 0.449 376 E N 0.016 120.097 120.200 -0.199 0.000 2.396 376 E HA -0.164 4.186 4.350 -0.000 0.000 0.200 376 E C 2.127 178.717 176.600 -0.017 0.000 1.023 376 E CA 0.870 57.149 56.400 -0.201 0.000 0.857 376 E CB 0.013 29.499 29.700 -0.357 0.000 0.775 376 E HN 0.447 nan 8.360 nan 0.000 0.525 377 S N 1.169 116.901 115.700 0.054 0.000 2.343 377 S HA -0.163 4.307 4.470 -0.000 0.000 0.219 377 S C 1.456 176.142 174.600 0.144 0.000 1.033 377 S CA 1.555 59.813 58.200 0.097 0.000 1.014 377 S CB -0.031 63.232 63.200 0.105 0.000 0.915 377 S HN 0.285 nan 8.310 nan 0.000 0.435 378 E N -0.480 119.881 120.200 0.270 0.000 2.562 378 E HA 0.295 4.645 4.350 -0.000 0.000 0.214 378 E C -0.682 175.976 176.600 0.098 0.000 0.979 378 E CA -0.151 56.331 56.400 0.138 0.000 1.002 378 E CB 0.091 29.802 29.700 0.018 0.000 1.048 378 E HN 0.284 nan 8.360 nan 0.000 0.488 379 F N 1.526 121.484 119.950 0.013 0.000 2.394 379 F HA 0.362 4.889 4.527 -0.000 0.000 0.340 379 F C 1.029 176.835 175.800 0.010 0.000 1.105 379 F CA -1.848 56.157 58.000 0.009 0.000 1.124 379 F CB 1.277 40.294 39.000 0.029 0.000 1.145 379 F HN -0.233 nan 8.300 nan 0.000 0.505 380 S N 5.273 121.056 115.700 0.137 0.000 2.552 380 S HA -0.072 4.398 4.470 -0.000 0.000 0.289 380 S C 1.463 176.105 174.600 0.071 0.000 1.304 380 S CA -0.592 57.675 58.200 0.111 0.000 1.063 380 S CB 0.173 63.374 63.200 0.003 0.000 0.848 380 S HN 0.761 nan 8.310 nan 0.000 0.499 381 W N 5.480 126.810 121.300 0.049 0.000 2.308 381 W HA -0.214 4.446 4.660 -0.000 0.000 0.301 381 W C 1.154 177.737 176.519 0.108 0.000 1.220 381 W CA 0.956 58.353 57.345 0.087 0.000 1.240 381 W CB -1.402 28.090 29.460 0.053 0.000 1.142 381 W HN 0.660 nan 8.180 nan 0.000 0.521 382 L N 1.546 121.668 121.223 -1.836 0.000 2.191 382 L HA -0.119 4.221 4.340 -0.000 0.000 0.212 382 L C 2.801 179.275 176.870 -0.661 0.000 1.103 382 L CA 2.015 55.874 54.840 -1.636 0.000 0.769 382 L CB -1.242 40.136 42.059 -1.136 0.000 0.908 382 L HN 0.260 nan 8.230 nan 0.000 0.438 383 C N -1.161 117.940 119.300 -0.331 0.000 2.446 383 C HA -0.112 4.348 4.460 -0.000 0.000 0.277 383 C C 2.685 177.677 174.990 0.004 0.000 1.275 383 C CA 0.709 59.671 59.018 -0.093 0.000 1.727 383 C CB -0.890 26.907 27.740 0.095 0.000 2.010 383 C HN 0.573 nan 8.230 nan 0.000 0.486 384 L N 0.376 121.658 121.223 0.099 0.000 1.976 384 L HA -0.135 4.205 4.340 -0.000 0.000 0.209 384 L C 2.514 179.561 176.870 0.296 0.000 1.071 384 L CA 1.504 56.586 54.840 0.403 0.000 0.746 384 L CB -1.013 41.366 42.059 0.533 0.000 0.890 384 L HN 0.361 nan 8.230 nan 0.000 0.432 385 L N 0.729 121.772 121.223 -0.299 0.000 1.997 385 L HA -0.314 4.026 4.340 -0.000 0.000 0.216 385 L C 2.186 178.844 176.870 -0.352 0.000 1.074 385 L CA 2.365 56.616 54.840 -0.980 0.000 0.763 385 L CB -0.920 40.472 42.059 -1.110 0.000 0.890 385 L HN 0.314 nan 8.230 nan 0.000 0.434 386 N N -0.921 117.624 118.700 -0.258 0.000 2.192 386 N HA -0.234 4.506 4.740 -0.000 0.000 0.188 386 N C 1.774 177.215 175.510 -0.115 0.000 1.013 386 N CA 1.777 54.730 53.050 -0.162 0.000 0.863 386 N CB -0.301 38.102 38.487 -0.140 0.000 0.990 386 N HN 0.533 nan 8.380 nan 0.000 0.430 387 L N -0.603 120.625 121.223 0.007 0.000 1.988 387 L HA -0.156 4.184 4.340 -0.000 0.000 0.207 387 L C 1.999 178.884 176.870 0.026 0.000 1.071 387 L CA 1.557 56.426 54.840 0.047 0.000 0.744 387 L CB -0.888 41.290 42.059 0.197 0.000 0.893 387 L HN 0.255 nan 8.230 nan 0.000 0.433 388 T N 0.347 115.021 114.554 0.199 0.000 2.897 388 T HA -0.168 4.182 4.350 -0.000 0.000 0.271 388 T C 1.792 176.545 174.700 0.088 0.000 1.084 388 T CA 1.126 63.351 62.100 0.208 0.000 1.123 388 T CB -0.189 68.934 68.868 0.426 0.000 0.865 388 T HN 0.213 nan 8.240 nan 0.000 0.496 389 L N -0.660 120.564 121.223 0.002 0.000 2.446 389 L HA 0.121 4.461 4.340 -0.000 0.000 0.219 389 L C 2.266 179.154 176.870 0.030 0.000 1.116 389 L CA 0.259 55.099 54.840 0.000 0.000 0.844 389 L CB -0.152 41.838 42.059 -0.114 0.000 0.970 389 L HN 0.355 nan 8.230 nan 0.000 0.457 390 C N -1.764 117.428 119.300 -0.181 0.000 2.469 390 C HA 0.052 4.512 4.460 -0.000 0.000 0.309 390 C C 2.176 176.890 174.990 -0.460 0.000 1.385 390 C CA 0.023 58.796 59.018 -0.408 0.000 1.890 390 C CB -0.169 27.041 27.740 -0.883 0.000 2.245 390 C HN 0.464 nan 8.230 nan 0.000 0.530 391 Y N -0.204 120.116 120.300 0.032 0.000 2.430 391 Y HA 0.283 4.833 4.550 -0.000 0.000 0.248 391 Y C 2.175 178.071 175.900 -0.007 0.000 1.108 391 Y CA 0.404 58.504 58.100 0.001 0.000 1.264 391 Y CB -0.079 38.367 38.460 -0.022 0.000 1.172 391 Y HN 0.288 nan 8.280 nan 0.000 0.520 392 G N 0.255 109.104 108.800 0.082 0.000 3.440 392 G HA2 -0.027 3.933 3.960 -0.000 0.000 0.263 392 G HA3 -0.027 3.933 3.960 -0.000 0.000 0.263 392 G C 0.735 175.672 174.900 0.061 0.000 1.236 392 G CA -0.176 44.970 45.100 0.076 0.000 0.927 392 G HN 0.183 nan 8.290 nan 0.000 0.530 393 Q N 0.538 120.356 119.800 0.030 0.000 2.294 393 Q HA 0.083 4.423 4.340 -0.000 0.000 0.207 393 Q C 1.887 177.826 176.000 -0.101 0.000 0.887 393 Q CA -0.180 55.604 55.803 -0.031 0.000 0.987 393 Q CB -0.318 28.394 28.738 -0.043 0.000 1.101 393 Q HN 0.660 nan 8.270 nan 0.000 0.447 394 I N -0.112 120.430 120.570 -0.047 0.000 2.346 394 I HA -0.375 3.795 4.170 -0.000 0.000 0.240 394 I C 0.773 176.805 176.117 -0.141 0.000 0.970 394 I CA 1.731 63.003 61.300 -0.046 0.000 1.269 394 I CB -0.155 37.864 38.000 0.032 0.000 0.971 394 I HN 0.260 nan 8.210 nan 0.000 0.412 395 D N -0.158 120.025 120.400 -0.362 0.000 2.490 395 D HA 0.194 4.834 4.640 -0.000 0.000 0.232 395 D C -0.325 175.522 176.300 -0.755 0.000 1.053 395 D CA -0.445 53.247 54.000 -0.513 0.000 0.914 395 D CB 1.605 42.123 40.800 -0.469 0.000 1.431 395 D HN 0.023 nan 8.370 nan 0.000 0.483 396 E N 1.732 121.676 120.200 -0.428 0.000 2.028 396 E HA 0.131 4.481 4.350 -0.000 0.000 0.275 396 E C -0.616 175.886 176.600 -0.163 0.000 1.171 396 E CA -0.101 56.131 56.400 -0.279 0.000 1.186 396 E CB -0.153 29.472 29.700 -0.125 0.000 1.256 396 E HN 0.343 nan 8.360 nan 0.000 0.474 397 Y N -1.716 118.596 120.300 0.019 0.000 3.224 397 Y HA 0.484 5.034 4.550 -0.000 0.000 0.301 397 Y C 0.620 176.531 175.900 0.019 0.000 1.663 397 Y CA -1.902 56.207 58.100 0.015 0.000 0.995 397 Y CB -0.749 37.717 38.460 0.010 0.000 1.381 397 Y HN -0.043 nan 8.280 nan 0.000 0.643 398 S N 0.701 116.605 115.700 0.340 0.000 2.576 398 S HA 0.156 4.626 4.470 -0.000 0.000 0.276 398 S C 0.792 175.501 174.600 0.183 0.000 1.339 398 S CA -0.363 57.928 58.200 0.152 0.000 1.039 398 S CB 0.901 64.102 63.200 0.002 0.000 0.902 398 S HN 0.780 nan 8.310 nan 0.000 0.516 399 L N 1.968 123.271 121.223 0.134 0.000 2.005 399 L HA 0.037 4.377 4.340 -0.000 0.000 0.207 399 L C 2.369 179.293 176.870 0.091 0.000 1.072 399 L CA 1.918 56.852 54.840 0.157 0.000 0.744 399 L CB -1.064 41.096 42.059 0.168 0.000 0.895 399 L HN 0.865 nan 8.230 nan 0.000 0.433 400 E N -0.389 119.764 120.200 -0.080 0.000 2.086 400 E HA -0.308 4.042 4.350 -0.000 0.000 0.205 400 E C 2.351 178.857 176.600 -0.156 0.000 1.027 400 E CA 1.992 58.183 56.400 -0.348 0.000 0.830 400 E CB -0.642 28.724 29.700 -0.558 0.000 0.751 400 E HN 0.589 nan 8.360 nan 0.000 0.456 401 S N -0.269 115.337 115.700 -0.157 0.000 2.399 401 S HA -0.126 4.344 4.470 -0.000 0.000 0.231 401 S C 1.850 176.380 174.600 -0.116 0.000 1.022 401 S CA 0.828 58.907 58.200 -0.202 0.000 0.983 401 S CB -0.190 62.776 63.200 -0.390 0.000 0.803 401 S HN 0.216 nan 8.310 nan 0.000 0.480 402 L N 1.969 123.212 121.223 0.034 0.000 1.961 402 L HA 0.012 4.352 4.340 -0.000 0.000 0.210 402 L C 2.440 179.414 176.870 0.173 0.000 1.072 402 L CA 1.921 56.891 54.840 0.216 0.000 0.749 402 L CB -1.172 41.067 42.059 0.300 0.000 0.889 402 L HN 0.224 nan 8.230 nan 0.000 0.432 403 V N -0.145 119.875 119.914 0.177 0.000 2.250 403 V HA -0.401 3.719 4.120 -0.000 0.000 0.253 403 V C 2.730 178.951 176.094 0.211 0.000 1.065 403 V CA 2.140 64.578 62.300 0.230 0.000 1.039 403 V CB -0.907 31.107 31.823 0.318 0.000 0.647 403 V HN 0.594 nan 8.190 nan 0.000 0.446 404 Q N 0.164 120.043 119.800 0.131 0.000 2.197 404 Q HA -0.207 4.133 4.340 -0.000 0.000 0.207 404 Q C 2.601 178.646 176.000 0.075 0.000 0.984 404 Q CA 2.223 58.078 55.803 0.086 0.000 0.869 404 Q CB -0.577 28.164 28.738 0.005 0.000 0.906 404 Q HN 0.902 nan 8.270 nan 0.000 0.426 405 S N -1.385 114.365 115.700 0.084 0.000 2.382 405 S HA -0.200 4.270 4.470 -0.000 0.000 0.228 405 S C 1.846 176.469 174.600 0.038 0.000 1.027 405 S CA 1.405 59.646 58.200 0.069 0.000 0.991 405 S CB -0.538 62.736 63.200 0.123 0.000 0.823 405 S HN 0.530 nan 8.310 nan 0.000 0.469 406 H N 1.555 120.616 119.070 -0.014 0.000 2.293 406 H HA 0.073 4.629 4.556 -0.000 0.000 0.300 406 H C 1.779 177.014 175.328 -0.155 0.000 1.082 406 H CA 1.861 57.832 56.048 -0.129 0.000 1.308 406 H CB -0.534 29.212 29.762 -0.026 0.000 1.375 406 H HN 0.272 nan 8.280 nan 0.000 0.495 407 L N 0.887 122.185 121.223 0.124 0.000 2.137 407 L HA -0.247 4.093 4.340 -0.000 0.000 0.213 407 L C 2.012 178.874 176.870 -0.013 0.000 1.085 407 L CA 1.842 56.735 54.840 0.088 0.000 0.760 407 L CB -0.619 41.509 42.059 0.115 0.000 0.893 407 L HN 0.468 nan 8.230 nan 0.000 0.434 408 D N -0.199 120.170 120.400 -0.051 0.000 2.097 408 D HA -0.152 4.488 4.640 -0.000 0.000 0.197 408 D C 1.995 178.245 176.300 -0.084 0.000 0.984 408 D CA 1.157 55.126 54.000 -0.051 0.000 0.826 408 D CB -0.005 40.772 40.800 -0.038 0.000 0.973 408 D HN 0.430 nan 8.370 nan 0.000 0.460 409 K N 0.234 120.493 120.400 -0.235 0.000 2.228 409 K HA 0.019 4.339 4.320 -0.000 0.000 0.202 409 K C 0.954 177.634 176.600 0.135 0.000 1.051 409 K CA 0.471 56.633 56.287 -0.208 0.000 0.960 409 K CB 0.054 32.228 32.500 -0.544 0.000 0.743 409 K HN 0.242 nan 8.250 nan 0.000 0.458 410 F N 1.765 121.589 119.950 -0.209 0.000 2.532 410 F HA 0.206 4.733 4.527 -0.000 0.000 0.321 410 F C 0.478 176.226 175.800 -0.086 0.000 1.089 410 F CA -1.561 56.344 58.000 -0.158 0.000 0.926 410 F CB 1.741 40.622 39.000 -0.199 0.000 1.168 410 F HN -0.185 nan 8.300 nan 0.000 0.459 411 S N 2.736 118.506 115.700 0.117 0.000 2.580 411 S HA 0.606 5.076 4.470 -0.000 0.000 0.274 411 S C -0.603 173.933 174.600 -0.108 0.000 1.329 411 S CA -0.896 57.287 58.200 -0.028 0.000 1.036 411 S CB 0.968 64.143 63.200 -0.041 0.000 0.919 411 S HN 0.424 nan 8.310 nan 0.000 0.515 412 L N -0.485 120.566 121.223 -0.287 0.000 2.365 412 L HA 0.727 5.067 4.340 -0.000 0.000 0.267 412 L C -2.414 174.083 176.870 -0.623 0.000 1.033 412 L CA -2.407 52.136 54.840 -0.495 0.000 0.802 412 L CB -0.811 40.958 42.059 -0.483 0.000 1.267 412 L HN 0.394 nan 8.230 nan 0.000 0.457 413 P HA 0.194 nan 4.420 nan 0.000 0.282 413 P C -1.202 175.879 177.300 -0.365 0.000 1.262 413 P CA -0.159 62.679 63.100 -0.436 0.000 0.773 413 P CB 0.202 31.681 31.700 -0.367 0.000 0.879 414 Y N 1.411 121.655 120.300 -0.095 0.000 2.497 414 Y HA -0.013 4.537 4.550 -0.000 0.000 0.334 414 Y C 1.632 177.510 175.900 -0.037 0.000 1.199 414 Y CA 0.829 58.896 58.100 -0.056 0.000 1.425 414 Y CB 0.107 38.547 38.460 -0.032 0.000 1.291 414 Y HN 0.510 nan 8.280 nan 0.000 0.562 415 D N -0.609 119.873 120.400 0.137 0.000 3.079 415 D HA -0.230 4.410 4.640 -0.000 0.000 0.214 415 D C -0.688 175.640 176.300 0.046 0.000 1.145 415 D CA 1.064 55.116 54.000 0.086 0.000 0.958 415 D CB -0.997 39.854 40.800 0.084 0.000 1.117 415 D HN 0.579 nan 8.370 nan 0.000 0.416 416 D N 0.524 120.925 120.400 0.001 0.000 2.313 416 D HA 0.131 4.771 4.640 -0.000 0.000 0.239 416 D C -0.993 175.314 176.300 0.012 0.000 1.142 416 D CA -1.718 52.277 54.000 -0.010 0.000 0.847 416 D CB 1.667 42.417 40.800 -0.083 0.000 1.082 416 D HN 0.003 nan 8.370 nan 0.000 0.480 417 P HA -0.126 nan 4.420 nan 0.000 0.216 417 P C 1.736 179.080 177.300 0.073 0.000 1.153 417 P CA 0.932 64.053 63.100 0.035 0.000 0.848 417 P CB 0.227 31.926 31.700 -0.001 0.000 0.787 418 I N -1.429 119.222 120.570 0.135 0.000 2.394 418 I HA -0.059 4.111 4.170 -0.000 0.000 0.251 418 I C 2.622 178.939 176.117 0.333 0.000 1.136 418 I CA 1.476 62.940 61.300 0.273 0.000 1.425 418 I CB -1.833 36.414 38.000 0.412 0.000 1.079 418 I HN -0.092 nan 8.210 nan 0.000 0.425 419 G N 1.816 110.683 108.800 0.111 0.000 2.524 419 G HA2 -0.187 3.773 3.960 -0.000 0.000 0.215 419 G HA3 -0.187 3.773 3.960 -0.000 0.000 0.215 419 G C 1.683 176.641 174.900 0.097 0.000 1.239 419 G CA 1.233 46.287 45.100 -0.076 0.000 0.798 419 G HN 0.224 nan 8.290 nan 0.000 0.557 420 V N 1.309 121.265 119.914 0.071 0.000 2.236 420 V HA -0.289 3.831 4.120 -0.000 0.000 0.255 420 V C 2.767 178.983 176.094 0.203 0.000 1.068 420 V CA 2.063 64.436 62.300 0.123 0.000 1.044 420 V CB -0.515 31.379 31.823 0.118 0.000 0.653 420 V HN 0.424 nan 8.190 nan 0.000 0.448 421 I N -1.435 119.265 120.570 0.216 0.000 2.300 421 I HA -0.323 3.847 4.170 -0.000 0.000 0.252 421 I C 2.232 178.491 176.117 0.238 0.000 1.119 421 I CA 1.906 63.339 61.300 0.221 0.000 1.384 421 I CB -0.270 37.813 38.000 0.138 0.000 1.062 421 I HN 0.277 nan 8.210 nan 0.000 0.426 422 F N 0.878 120.906 119.950 0.131 0.000 2.084 422 F HA -0.232 4.295 4.527 -0.000 0.000 0.296 422 F C 2.668 178.582 175.800 0.190 0.000 1.111 422 F CA 1.480 59.576 58.000 0.160 0.000 1.224 422 F CB -0.685 38.432 39.000 0.195 0.000 0.991 422 F HN 0.032 nan 8.300 nan 0.000 0.471 423 Q N 0.093 120.088 119.800 0.326 0.000 2.173 423 Q HA -0.239 4.101 4.340 -0.000 0.000 0.208 423 Q C 2.282 178.400 176.000 0.198 0.000 0.989 423 Q CA 1.777 57.709 55.803 0.214 0.000 0.872 423 Q CB -0.461 28.366 28.738 0.148 0.000 0.909 423 Q HN 0.458 nan 8.270 nan 0.000 0.420 424 L N -0.954 120.409 121.223 0.233 0.000 2.017 424 L HA -0.211 4.128 4.340 -0.000 0.000 0.208 424 L C 2.377 179.431 176.870 0.307 0.000 1.073 424 L CA 1.367 56.349 54.840 0.238 0.000 0.745 424 L CB -0.576 41.624 42.059 0.236 0.000 0.894 424 L HN 0.299 nan 8.230 nan 0.000 0.432 425 Y N 0.832 121.265 120.300 0.220 0.000 2.163 425 Y HA -0.233 4.317 4.550 -0.000 0.000 0.288 425 Y C 2.519 178.424 175.900 0.009 0.000 1.136 425 Y CA 1.197 59.339 58.100 0.070 0.000 1.147 425 Y CB -0.332 37.934 38.460 -0.324 0.000 0.987 425 Y HN 0.090 nan 8.280 nan 0.000 0.509 426 A N 0.999 123.868 122.820 0.082 0.000 1.883 426 A HA -0.051 4.269 4.320 -0.000 0.000 0.217 426 A C 1.876 179.417 177.584 -0.071 0.000 1.186 426 A CA 1.405 53.440 52.037 -0.004 0.000 0.624 426 A CB -1.553 17.528 19.000 0.135 0.000 0.822 426 A HN 0.564 nan 8.150 nan 0.000 0.444 427 A N 0.590 123.403 122.820 -0.011 0.000 3.051 427 A HA 0.270 4.590 4.320 -0.000 0.000 0.257 427 A C 1.133 178.674 177.584 -0.071 0.000 1.785 427 A CA 0.258 52.276 52.037 -0.032 0.000 1.420 427 A CB -1.074 17.930 19.000 0.007 0.000 1.063 427 A HN 0.539 nan 8.150 nan 0.000 0.630 428 N N 1.737 120.360 118.700 -0.129 0.000 1.942 428 N HA -0.295 4.445 4.740 -0.000 0.000 0.159 428 N C 1.358 176.797 175.510 -0.118 0.000 0.811 428 N CA 2.693 55.655 53.050 -0.146 0.000 0.859 428 N CB -0.303 38.087 38.487 -0.162 0.000 0.940 428 N HN 0.715 nan 8.380 nan 0.000 1.040 429 E N -0.726 119.408 120.200 -0.111 0.000 2.204 429 E HA -0.041 4.309 4.350 -0.000 0.000 0.194 429 E C 1.029 177.555 176.600 -0.123 0.000 0.989 429 E CA 0.484 56.817 56.400 -0.112 0.000 0.824 429 E CB -0.160 29.485 29.700 -0.092 0.000 0.756 429 E HN 0.392 nan 8.360 nan 0.000 0.477 430 N N 0.605 119.245 118.700 -0.100 0.000 2.515 430 N HA -0.027 4.713 4.740 -0.000 0.000 0.191 430 N C 1.199 176.649 175.510 -0.101 0.000 1.182 430 N CA 0.342 53.340 53.050 -0.087 0.000 0.879 430 N CB 0.016 38.472 38.487 -0.052 0.000 0.984 430 N HN 0.069 nan 8.380 nan 0.000 0.453 431 T N 1.292 115.757 114.554 -0.148 0.000 2.464 431 T HA -0.305 4.045 4.350 -0.000 0.000 0.245 431 T C 1.644 176.225 174.700 -0.200 0.000 1.298 431 T CA 1.980 63.966 62.100 -0.191 0.000 1.152 431 T CB -0.248 68.414 68.868 -0.343 0.000 0.854 431 T HN 0.446 nan 8.240 nan 0.000 0.428 432 E N 0.018 119.933 120.200 -0.475 0.000 2.160 432 E HA -0.193 4.157 4.350 -0.000 0.000 0.195 432 E C 2.280 178.911 176.600 0.051 0.000 0.991 432 E CA 1.378 57.644 56.400 -0.224 0.000 0.810 432 E CB -0.099 29.403 29.700 -0.329 0.000 0.742 432 E HN 0.409 nan 8.360 nan 0.000 0.466 433 K N -0.040 120.344 120.400 -0.026 0.000 2.057 433 K HA -0.148 4.172 4.320 -0.000 0.000 0.206 433 K C 2.204 178.824 176.600 0.033 0.000 1.050 433 K CA 0.921 57.207 56.287 -0.003 0.000 0.935 433 K CB -0.087 32.397 32.500 -0.026 0.000 0.715 433 K HN 0.101 nan 8.250 nan 0.000 0.439 434 L N 0.546 121.803 121.223 0.058 0.000 2.027 434 L HA -0.185 4.155 4.340 -0.000 0.000 0.206 434 L C 2.126 179.095 176.870 0.165 0.000 1.074 434 L CA 1.682 56.578 54.840 0.092 0.000 0.745 434 L CB -0.928 41.188 42.059 0.095 0.000 0.898 434 L HN 0.253 nan 8.230 nan 0.000 0.433 435 Y N 1.031 121.387 120.300 0.093 0.000 2.014 435 Y HA -0.367 4.183 4.550 -0.000 0.000 0.272 435 Y C 2.491 178.455 175.900 0.107 0.000 1.164 435 Y CA 2.335 60.518 58.100 0.139 0.000 1.114 435 Y CB -0.788 37.834 38.460 0.270 0.000 0.961 435 Y HN 0.217 nan 8.280 nan 0.000 0.489 436 K N -0.036 120.248 120.400 -0.194 0.000 2.034 436 K HA -0.306 4.014 4.320 -0.000 0.000 0.214 436 K C 2.195 178.719 176.600 -0.125 0.000 1.051 436 K CA 2.144 58.258 56.287 -0.288 0.000 0.931 436 K CB -0.402 32.014 32.500 -0.140 0.000 0.715 436 K HN 0.489 nan 8.250 nan 0.000 0.446 437 E N 0.406 120.589 120.200 -0.028 0.000 2.097 437 E HA -0.196 4.154 4.350 -0.000 0.000 0.196 437 E C 1.917 178.533 176.600 0.027 0.000 1.000 437 E CA 1.458 57.861 56.400 0.005 0.000 0.804 437 E CB 0.149 29.864 29.700 0.026 0.000 0.740 437 E HN 0.065 nan 8.360 nan 0.000 0.454 438 V N 0.492 120.446 119.914 0.066 0.000 2.270 438 V HA -0.222 3.898 4.120 -0.000 0.000 0.245 438 V C 2.469 178.621 176.094 0.097 0.000 1.043 438 V CA 2.065 64.428 62.300 0.105 0.000 1.014 438 V CB -0.539 31.392 31.823 0.180 0.000 0.645 438 V HN 0.242 nan 8.190 nan 0.000 0.447 439 R N -0.102 120.445 120.500 0.080 0.000 2.200 439 R HA -0.210 4.130 4.340 -0.000 0.000 0.234 439 R C 2.289 178.608 176.300 0.033 0.000 1.127 439 R CA 1.474 57.617 56.100 0.073 0.000 0.989 439 R CB -0.196 30.099 30.300 -0.007 0.000 0.869 439 R HN 0.619 nan 8.270 nan 0.000 0.459 440 Q N -0.177 119.625 119.800 0.004 0.000 2.436 440 Q HA -0.086 4.254 4.340 -0.000 0.000 0.209 440 Q C 1.027 177.045 176.000 0.030 0.000 0.965 440 Q CA 0.955 56.764 55.803 0.009 0.000 0.910 440 Q CB 0.333 29.068 28.738 -0.005 0.000 0.980 440 Q HN 0.312 nan 8.270 nan 0.000 0.491 441 R N -1.688 118.840 120.500 0.047 0.000 2.469 441 R HA 0.216 4.556 4.340 -0.000 0.000 0.250 441 R C -0.247 176.094 176.300 0.067 0.000 0.909 441 R CA 0.238 56.371 56.100 0.055 0.000 1.050 441 R CB 1.416 31.753 30.300 0.061 0.000 1.256 441 R HN -0.077 nan 8.270 nan 0.000 0.550 442 T N 0.662 115.263 114.554 0.079 0.000 2.916 442 T HA 0.253 4.603 4.350 -0.000 0.000 0.298 442 T C -0.272 174.485 174.700 0.095 0.000 1.031 442 T CA -0.688 61.464 62.100 0.087 0.000 0.993 442 T CB 1.752 70.676 68.868 0.094 0.000 1.045 442 T HN -0.017 nan 8.240 nan 0.000 0.454 443 N N 1.373 120.124 118.700 0.085 0.000 2.295 443 N HA 0.189 4.929 4.740 -0.000 0.000 0.221 443 N C 1.286 176.852 175.510 0.093 0.000 1.129 443 N CA -0.071 53.033 53.050 0.090 0.000 0.836 443 N CB 0.627 39.158 38.487 0.073 0.000 1.040 443 N HN 0.659 nan 8.380 nan 0.000 0.494 444 A N 0.108 122.985 122.820 0.095 0.000 1.975 444 A HA 0.133 4.453 4.320 -0.000 0.000 0.215 444 A C 0.983 178.620 177.584 0.088 0.000 1.170 444 A CA 0.376 52.462 52.037 0.082 0.000 0.656 444 A CB 0.043 19.086 19.000 0.071 0.000 0.821 444 A HN 0.218 nan 8.150 nan 0.000 0.449 445 L N 1.630 122.931 121.223 0.130 0.000 2.268 445 L HA 0.179 4.519 4.340 -0.000 0.000 0.289 445 L C -0.557 176.445 176.870 0.220 0.000 1.064 445 L CA -0.693 54.255 54.840 0.180 0.000 0.824 445 L CB 0.830 43.047 42.059 0.264 0.000 1.202 445 L HN 0.228 nan 8.230 nan 0.000 0.433 446 D N 2.808 123.341 120.400 0.222 0.000 2.451 446 D HA -0.019 4.621 4.640 -0.000 0.000 0.254 446 D C 1.235 177.705 176.300 0.283 0.000 1.204 446 D CA 0.017 54.163 54.000 0.244 0.000 0.896 446 D CB 1.162 42.116 40.800 0.257 0.000 1.136 446 D HN 0.253 nan 8.370 nan 0.000 0.499 447 V N 3.985 124.041 119.914 0.237 0.000 2.251 447 V HA -0.409 3.711 4.120 -0.000 0.000 0.259 447 V C 2.417 178.601 176.094 0.150 0.000 1.078 447 V CA 2.746 65.185 62.300 0.232 0.000 1.072 447 V CB -0.960 31.028 31.823 0.275 0.000 0.681 447 V HN 0.840 nan 8.190 nan 0.000 0.454 448 Q N -1.438 118.435 119.800 0.121 0.000 2.135 448 Q HA -0.266 4.074 4.340 -0.000 0.000 0.204 448 Q C 2.085 178.116 176.000 0.051 0.000 0.981 448 Q CA 2.401 58.042 55.803 -0.269 0.000 0.856 448 Q CB -0.226 28.577 28.738 0.108 0.000 0.902 448 Q HN 0.662 nan 8.270 nan 0.000 0.425 449 F N 0.582 120.614 119.950 0.137 0.000 2.039 449 F HA -0.233 4.294 4.527 -0.000 0.000 0.294 449 F C 2.363 178.150 175.800 -0.021 0.000 1.130 449 F CA 1.402 59.492 58.000 0.149 0.000 1.189 449 F CB -0.998 38.088 39.000 0.143 0.000 0.983 449 F HN 0.214 nan 8.300 nan 0.000 0.471 450 C N -0.001 119.309 119.300 0.018 0.000 2.326 450 C HA -0.328 4.132 4.460 -0.000 0.000 0.269 450 C C 2.585 177.363 174.990 -0.352 0.000 1.140 450 C CA 1.509 60.398 59.018 -0.215 0.000 1.798 450 C CB -2.020 25.745 27.740 0.042 0.000 2.053 450 C HN 0.845 nan 8.230 nan 0.000 0.438 451 W N -0.366 120.712 121.300 -0.369 0.000 2.315 451 W HA -0.235 4.425 4.660 -0.000 0.000 0.323 451 W C 2.577 178.788 176.519 -0.514 0.000 1.233 451 W CA 1.915 59.004 57.345 -0.428 0.000 1.267 451 W CB -0.939 28.230 29.460 -0.486 0.000 1.160 451 W HN 0.469 nan 8.180 nan 0.000 0.474 452 Y N 0.435 120.500 120.300 -0.391 0.000 2.315 452 Y HA -0.264 4.286 4.550 -0.000 0.000 0.288 452 Y C 2.377 177.642 175.900 -1.059 0.000 1.154 452 Y CA 1.974 59.671 58.100 -0.672 0.000 1.229 452 Y CB -0.766 37.524 38.460 -0.283 0.000 0.980 452 Y HN 0.032 nan 8.280 nan 0.000 0.540 453 L N -0.865 119.736 121.223 -1.036 0.000 1.961 453 L HA -0.250 4.090 4.340 -0.000 0.000 0.209 453 L C 2.226 178.530 176.870 -0.944 0.000 1.075 453 L CA 1.408 55.626 54.840 -1.036 0.000 0.749 453 L CB -0.678 40.799 42.059 -0.970 0.000 0.890 453 L HN 0.163 nan 8.230 nan 0.000 0.433 454 I N -0.022 119.948 120.570 -1.000 0.000 2.143 454 I HA -0.377 3.793 4.170 -0.000 0.000 0.245 454 I C 2.576 178.219 176.117 -0.789 0.000 1.068 454 I CA 1.641 62.319 61.300 -1.037 0.000 1.326 454 I CB -1.397 35.991 38.000 -1.021 0.000 1.028 454 I HN 0.437 nan 8.210 nan 0.000 0.412 455 Q N 0.354 119.538 119.800 -1.026 0.000 2.084 455 Q HA -0.122 4.218 4.340 -0.000 0.000 0.202 455 Q C 2.326 177.845 176.000 -0.801 0.000 0.978 455 Q CA 2.156 57.344 55.803 -1.024 0.000 0.844 455 Q CB -0.553 27.123 28.738 -1.769 0.000 0.898 455 Q HN 0.464 nan 8.270 nan 0.000 0.426 456 T N 0.397 114.362 114.554 -0.983 0.000 2.904 456 T HA -0.006 4.344 4.350 -0.000 0.000 0.267 456 T C 1.628 176.100 174.700 -0.381 0.000 1.059 456 T CA 0.681 62.327 62.100 -0.757 0.000 1.137 456 T CB -0.081 68.164 68.868 -1.038 0.000 0.879 456 T HN 0.169 nan 8.240 nan 0.000 0.467 457 L N 0.175 121.173 121.223 -0.375 0.000 2.109 457 L HA 0.053 4.393 4.340 -0.000 0.000 0.207 457 L C 2.850 179.694 176.870 -0.043 0.000 1.086 457 L CA 1.079 55.824 54.840 -0.158 0.000 0.760 457 L CB -0.370 41.602 42.059 -0.144 0.000 0.910 457 L HN 0.120 nan 8.230 nan 0.000 0.437 458 R N -0.316 120.157 120.500 -0.045 0.000 2.075 458 R HA -0.106 4.234 4.340 -0.000 0.000 0.232 458 R C 1.418 177.779 176.300 0.101 0.000 1.126 458 R CA 1.268 57.404 56.100 0.061 0.000 0.963 458 R CB 0.029 30.384 30.300 0.093 0.000 0.858 458 R HN 0.139 nan 8.270 nan 0.000 0.435 459 F N 0.238 120.097 119.950 -0.152 0.000 2.663 459 F HA 0.188 4.715 4.527 -0.000 0.000 0.299 459 F C 0.759 176.510 175.800 -0.082 0.000 1.143 459 F CA 0.156 58.095 58.000 -0.101 0.000 1.387 459 F CB 0.292 39.235 39.000 -0.096 0.000 1.019 459 F HN 0.007 nan 8.300 nan 0.000 0.523 460 N N -1.048 117.692 118.700 0.067 0.000 2.082 460 N HA 0.123 4.863 4.740 -0.000 0.000 0.228 460 N C 1.701 177.223 175.510 0.021 0.000 1.341 460 N CA 0.830 53.903 53.050 0.038 0.000 0.873 460 N CB 1.224 39.730 38.487 0.031 0.000 1.137 460 N HN 0.248 nan 8.380 nan 0.000 0.505 461 G N 0.930 109.732 108.800 0.003 0.000 2.245 461 G HA2 -0.394 3.566 3.960 -0.000 0.000 0.264 461 G HA3 -0.394 3.566 3.960 -0.000 0.000 0.264 461 G C 1.252 176.159 174.900 0.012 0.000 0.985 461 G CA 1.470 46.566 45.100 -0.006 0.000 0.625 461 G HN 0.316 nan 8.290 nan 0.000 0.536 462 T N 0.452 115.029 114.554 0.038 0.000 2.649 462 T HA -0.099 4.251 4.350 -0.000 0.000 0.268 462 T C 1.506 176.242 174.700 0.061 0.000 1.036 462 T CA 1.949 64.097 62.100 0.079 0.000 1.157 462 T CB -0.065 68.887 68.868 0.140 0.000 0.861 462 T HN 0.611 nan 8.240 nan 0.000 0.445 463 R N -0.610 119.907 120.500 0.030 0.000 2.962 463 R HA 0.536 4.876 4.340 -0.000 0.000 0.256 463 R C -1.035 175.209 176.300 -0.092 0.000 1.199 463 R CA -0.800 55.280 56.100 -0.034 0.000 1.012 463 R CB 0.741 31.008 30.300 -0.054 0.000 1.289 463 R HN 0.142 nan 8.270 nan 0.000 0.462 464 V N -0.576 119.195 119.914 -0.239 0.000 2.288 464 V HA 0.579 4.699 4.120 -0.000 0.000 0.266 464 V C -0.636 175.170 176.094 -0.480 0.000 1.048 464 V CA -0.382 61.758 62.300 -0.267 0.000 0.842 464 V CB -0.253 31.430 31.823 -0.232 0.000 1.064 464 V HN 0.434 nan 8.190 nan 0.000 0.472 465 F N 3.314 123.231 119.950 -0.056 0.000 2.477 465 F HA 0.550 5.077 4.527 -0.000 0.000 0.335 465 F C 0.815 176.592 175.800 -0.038 0.000 1.130 465 F CA -0.539 57.433 58.000 -0.047 0.000 0.948 465 F CB 2.274 41.227 39.000 -0.079 0.000 1.154 465 F HN 0.645 nan 8.300 nan 0.000 0.439 466 S N 4.315 120.139 115.700 0.207 0.000 2.516 466 S HA 0.077 4.547 4.470 -0.000 0.000 0.282 466 S C 1.268 175.926 174.600 0.096 0.000 1.286 466 S CA -0.430 57.837 58.200 0.112 0.000 1.066 466 S CB 0.729 63.979 63.200 0.083 0.000 0.884 466 S HN 0.799 nan 8.310 nan 0.000 0.491 467 K N 3.579 124.006 120.400 0.045 0.000 2.059 467 K HA -0.228 4.092 4.320 -0.000 0.000 0.212 467 K C 1.982 178.585 176.600 0.004 0.000 1.050 467 K CA 2.414 58.713 56.287 0.019 0.000 0.927 467 K CB -0.258 32.244 32.500 0.002 0.000 0.714 467 K HN 0.770 nan 8.250 nan 0.000 0.447 468 E N -0.052 120.152 120.200 0.006 0.000 2.097 468 E HA -0.169 4.181 4.350 -0.000 0.000 0.196 468 E C 2.050 178.645 176.600 -0.009 0.000 1.000 468 E CA 1.807 58.200 56.400 -0.011 0.000 0.804 468 E CB -0.158 29.543 29.700 0.000 0.000 0.740 468 E HN 0.312 nan 8.360 nan 0.000 0.454 469 T N 0.239 114.818 114.554 0.041 0.000 2.857 469 T HA -0.156 4.194 4.350 -0.000 0.000 0.266 469 T C 2.030 176.754 174.700 0.041 0.000 1.048 469 T CA 1.182 63.323 62.100 0.068 0.000 1.139 469 T CB -0.199 68.775 68.868 0.177 0.000 0.874 469 T HN 0.174 nan 8.240 nan 0.000 0.455 470 S N 2.003 117.711 115.700 0.014 0.000 2.349 470 S HA -0.212 4.258 4.470 -0.000 0.000 0.216 470 S C 1.826 176.402 174.600 -0.040 0.000 1.033 470 S CA 1.568 59.736 58.200 -0.052 0.000 1.021 470 S CB -0.780 62.394 63.200 -0.043 0.000 0.968 470 S HN 0.416 nan 8.310 nan 0.000 0.426 471 D N 1.042 121.392 120.400 -0.082 0.000 2.158 471 D HA -0.196 4.444 4.640 -0.000 0.000 0.197 471 D C 1.992 178.068 176.300 -0.373 0.000 0.995 471 D CA 1.589 55.450 54.000 -0.232 0.000 0.846 471 D CB -0.440 40.174 40.800 -0.309 0.000 0.941 471 D HN 0.780 nan 8.370 nan 0.000 0.456 472 E N 0.825 120.896 120.200 -0.216 0.000 2.130 472 E HA -0.200 4.150 4.350 -0.000 0.000 0.196 472 E C 1.709 178.314 176.600 0.009 0.000 0.998 472 E CA 1.371 57.698 56.400 -0.122 0.000 0.806 472 E CB 0.025 29.708 29.700 -0.028 0.000 0.738 472 E HN 0.192 nan 8.360 nan 0.000 0.459 473 A N -0.357 122.504 122.820 0.069 0.000 2.267 473 A HA 0.089 4.409 4.320 -0.000 0.000 0.213 473 A C 2.017 179.790 177.584 0.315 0.000 1.192 473 A CA 0.636 52.786 52.037 0.189 0.000 0.851 473 A CB 0.062 19.175 19.000 0.187 0.000 0.881 473 A HN 0.260 nan 8.150 nan 0.000 0.494 474 T N -0.760 113.964 114.554 0.284 0.000 2.851 474 T HA 0.022 4.372 4.350 -0.000 0.000 0.262 474 T C 1.552 176.485 174.700 0.387 0.000 1.043 474 T CA 0.861 63.228 62.100 0.445 0.000 1.140 474 T CB -0.407 68.719 68.868 0.431 0.000 0.872 474 T HN 0.510 nan 8.240 nan 0.000 0.446 475 F N 1.802 121.862 119.950 0.184 0.000 2.046 475 F HA -0.165 4.362 4.527 -0.000 0.000 0.297 475 F C 2.966 178.846 175.800 0.134 0.000 1.123 475 F CA 0.544 58.618 58.000 0.123 0.000 1.199 475 F CB -0.534 38.526 39.000 0.100 0.000 0.972 475 F HN 0.154 nan 8.300 nan 0.000 0.474 476 A N 0.847 123.900 122.820 0.389 0.000 1.893 476 A HA -0.355 3.965 4.320 -0.000 0.000 0.222 476 A C 1.923 179.693 177.584 0.312 0.000 1.309 476 A CA 2.386 54.608 52.037 0.308 0.000 0.681 476 A CB -1.605 17.562 19.000 0.278 0.000 0.842 476 A HN 0.438 nan 8.150 nan 0.000 0.468 477 F N 0.678 120.685 119.950 0.095 0.000 2.051 477 F HA -0.020 4.507 4.527 -0.000 0.000 0.296 477 F C 2.627 178.407 175.800 -0.034 0.000 1.122 477 F CA 1.320 59.309 58.000 -0.019 0.000 1.201 477 F CB -0.964 37.889 39.000 -0.245 0.000 0.978 477 F HN 0.265 nan 8.300 nan 0.000 0.472 478 A N -0.070 122.718 122.820 -0.054 0.000 2.194 478 A HA -0.064 4.256 4.320 -0.000 0.000 0.220 478 A C 2.259 179.771 177.584 -0.121 0.000 1.162 478 A CA 1.774 53.720 52.037 -0.152 0.000 0.674 478 A CB -1.434 17.576 19.000 0.015 0.000 0.789 478 A HN 0.542 nan 8.150 nan 0.000 0.470 479 A N -1.518 121.289 122.820 -0.020 0.000 1.887 479 A HA -0.014 4.306 4.320 -0.000 0.000 0.212 479 A C 2.078 179.690 177.584 0.045 0.000 1.198 479 A CA 1.115 53.133 52.037 -0.032 0.000 0.628 479 A CB -0.377 18.722 19.000 0.165 0.000 0.847 479 A HN 0.404 nan 8.150 nan 0.000 0.449 480 Q N 0.337 120.267 119.800 0.216 0.000 2.096 480 Q HA -0.128 4.212 4.340 -0.000 0.000 0.204 480 Q C 2.055 178.096 176.000 0.069 0.000 0.982 480 Q CA 1.342 57.324 55.803 0.299 0.000 0.850 480 Q CB -0.642 28.195 28.738 0.165 0.000 0.901 480 Q HN 0.713 nan 8.270 nan 0.000 0.422 481 L N 0.317 121.428 121.223 -0.186 0.000 2.353 481 L HA -0.146 4.194 4.340 -0.000 0.000 0.220 481 L C 2.257 179.028 176.870 -0.164 0.000 1.133 481 L CA 0.903 55.584 54.840 -0.266 0.000 0.798 481 L CB -0.311 41.513 42.059 -0.393 0.000 0.922 481 L HN 0.283 nan 8.230 nan 0.000 0.445 482 E N 0.132 120.224 120.200 -0.180 0.000 2.140 482 E HA -0.097 4.253 4.350 -0.000 0.000 0.191 482 E C 2.140 178.620 176.600 -0.200 0.000 0.973 482 E CA 0.494 56.779 56.400 -0.192 0.000 0.829 482 E CB 0.062 29.538 29.700 -0.374 0.000 0.781 482 E HN 0.391 nan 8.360 nan 0.000 0.466 483 F N 0.674 120.628 119.950 0.008 0.000 2.216 483 F HA -0.082 4.445 4.527 -0.000 0.000 0.300 483 F C 2.255 178.049 175.800 -0.009 0.000 1.085 483 F CA 0.822 58.835 58.000 0.022 0.000 1.326 483 F CB -0.166 38.851 39.000 0.028 0.000 1.027 483 F HN 0.081 nan 8.300 nan 0.000 0.497 484 A N -0.845 122.042 122.820 0.111 0.000 2.209 484 A HA -0.097 4.223 4.320 -0.000 0.000 0.212 484 A C 1.614 179.144 177.584 -0.090 0.000 1.158 484 A CA 1.129 53.171 52.037 0.008 0.000 0.742 484 A CB -0.502 18.432 19.000 -0.109 0.000 0.790 484 A HN 0.538 nan 8.150 nan 0.000 0.472 485 Q N -3.192 116.516 119.800 -0.152 0.000 2.325 485 Q HA -0.212 4.128 4.340 -0.000 0.000 0.153 485 Q C -0.645 174.823 176.000 -0.887 0.000 0.593 485 Q CA 1.039 56.575 55.803 -0.446 0.000 1.337 485 Q CB -1.867 26.700 28.738 -0.286 0.000 1.265 485 Q HN 0.570 nan 8.270 nan 0.000 0.987 486 L N 2.101 123.059 121.223 -0.442 0.000 2.546 486 L HA 0.039 4.379 4.340 -0.000 0.000 0.272 486 L C 1.254 177.990 176.870 -0.223 0.000 1.327 486 L CA 0.814 55.441 54.840 -0.355 0.000 1.199 486 L CB -0.618 41.245 42.059 -0.327 0.000 1.401 486 L HN 0.148 nan 8.230 nan 0.000 0.440 487 H N 1.927 120.954 119.070 -0.073 0.000 2.352 487 H HA -0.095 4.461 4.556 -0.000 0.000 0.299 487 H C 2.054 177.362 175.328 -0.034 0.000 1.097 487 H CA 1.271 57.282 56.048 -0.063 0.000 1.311 487 H CB -0.466 29.263 29.762 -0.055 0.000 1.377 487 H HN 0.631 nan 8.280 nan 0.000 0.504 488 G N 0.208 109.054 108.800 0.076 0.000 2.513 488 G HA2 -0.356 3.604 3.960 -0.000 0.000 0.219 488 G HA3 -0.356 3.604 3.960 -0.000 0.000 0.219 488 G C 1.666 176.599 174.900 0.055 0.000 1.160 488 G CA 1.549 46.677 45.100 0.047 0.000 0.767 488 G HN 0.445 nan 8.290 nan 0.000 0.571 489 H N -0.052 118.963 119.070 -0.092 0.000 2.326 489 H HA 0.007 4.563 4.556 -0.000 0.000 0.301 489 H C 2.947 178.238 175.328 -0.061 0.000 1.081 489 H CA 1.595 57.574 56.048 -0.115 0.000 1.334 489 H CB -0.239 29.384 29.762 -0.230 0.000 1.385 489 H HN 0.355 nan 8.280 nan 0.000 0.504 490 S N -0.493 115.210 115.700 0.005 0.000 2.365 490 S HA -0.187 4.283 4.470 -0.000 0.000 0.221 490 S C 2.225 176.838 174.600 0.022 0.000 1.037 490 S CA 1.545 59.719 58.200 -0.043 0.000 1.060 490 S CB -0.640 62.547 63.200 -0.022 0.000 0.974 490 S HN 0.331 nan 8.310 nan 0.000 0.427 491 L N 0.672 121.927 121.223 0.053 0.000 1.990 491 L HA -0.072 4.268 4.340 -0.000 0.000 0.213 491 L C 2.144 179.085 176.870 0.118 0.000 1.072 491 L CA 2.387 57.265 54.840 0.064 0.000 0.755 491 L CB -1.052 41.039 42.059 0.053 0.000 0.889 491 L HN 0.549 nan 8.230 nan 0.000 0.432 492 F N -0.800 119.126 119.950 -0.041 0.000 2.069 492 F HA -0.253 4.274 4.527 -0.000 0.000 0.298 492 F C 2.223 178.089 175.800 0.111 0.000 1.113 492 F CA 2.158 60.149 58.000 -0.015 0.000 1.214 492 F CB -0.558 38.390 39.000 -0.087 0.000 0.978 492 F HN -0.100 nan 8.300 nan 0.000 0.474 493 V N -0.338 119.755 119.914 0.298 0.000 2.469 493 V HA -0.294 3.826 4.120 -0.000 0.000 0.251 493 V C 2.459 178.732 176.094 0.298 0.000 1.064 493 V CA 1.948 64.406 62.300 0.263 0.000 1.066 493 V CB -1.065 30.675 31.823 -0.139 0.000 0.667 493 V HN 0.397 nan 8.190 nan 0.000 0.461 494 S N -0.946 114.849 115.700 0.158 0.000 2.419 494 S HA -0.222 4.248 4.470 -0.000 0.000 0.235 494 S C 1.865 176.539 174.600 0.123 0.000 1.019 494 S CA 1.716 60.011 58.200 0.158 0.000 0.982 494 S CB -0.501 62.756 63.200 0.096 0.000 0.789 494 S HN 0.731 nan 8.310 nan 0.000 0.490 495 C N 0.414 119.708 119.300 -0.010 0.000 2.472 495 C HA 0.140 4.600 4.460 -0.000 0.000 0.278 495 C C 1.377 176.216 174.990 -0.251 0.000 1.447 495 C CA -0.320 58.592 59.018 -0.176 0.000 1.773 495 C CB -1.817 25.691 27.740 -0.388 0.000 1.793 495 C HN 0.500 nan 8.230 nan 0.000 0.544 496 F N 0.704 120.684 119.950 0.049 0.000 2.740 496 F HA 0.278 4.805 4.527 -0.000 0.000 0.294 496 F C 0.556 176.435 175.800 0.131 0.000 1.225 496 F CA 0.030 58.098 58.000 0.114 0.000 1.426 496 F CB -0.395 38.770 39.000 0.275 0.000 1.021 496 F HN 0.057 nan 8.300 nan 0.000 0.508 497 L N 0.591 121.919 121.223 0.175 0.000 2.295 497 L HA 0.331 4.671 4.340 -0.000 0.000 0.285 497 L C 1.027 177.943 176.870 0.077 0.000 1.035 497 L CA 0.021 54.944 54.840 0.139 0.000 0.806 497 L CB 0.899 43.065 42.059 0.179 0.000 1.214 497 L HN -0.029 nan 8.230 nan 0.000 0.426 498 N N 0.685 119.415 118.700 0.050 0.000 2.278 498 N HA -0.071 4.669 4.740 -0.000 0.000 0.181 498 N C 0.031 175.553 175.510 0.020 0.000 1.023 498 N CA 0.474 53.540 53.050 0.027 0.000 0.862 498 N CB 0.068 38.562 38.487 0.012 0.000 1.003 498 N HN 0.579 nan 8.380 nan 0.000 0.431 499 D N 2.796 123.210 120.400 0.023 0.000 2.483 499 D HA -0.069 4.571 4.640 -0.000 0.000 0.261 499 D C 0.180 176.497 176.300 0.028 0.000 1.318 499 D CA 0.080 54.097 54.000 0.028 0.000 1.201 499 D CB -0.023 40.807 40.800 0.049 0.000 1.127 499 D HN 0.052 nan 8.370 nan 0.000 0.519 500 D N 2.405 122.809 120.400 0.006 0.000 2.244 500 D HA -0.250 4.390 4.640 -0.000 0.000 0.197 500 D C 1.670 177.939 176.300 -0.051 0.000 1.006 500 D CA 1.090 55.082 54.000 -0.014 0.000 0.888 500 D CB 0.231 41.017 40.800 -0.022 0.000 0.912 500 D HN 0.360 nan 8.370 nan 0.000 0.452 501 K N 1.030 121.408 120.400 -0.037 0.000 2.001 501 K HA -0.007 4.313 4.320 -0.000 0.000 0.208 501 K C 1.928 178.502 176.600 -0.043 0.000 1.048 501 K CA 1.618 57.869 56.287 -0.059 0.000 0.932 501 K CB -0.700 31.783 32.500 -0.029 0.000 0.715 501 K HN 0.019 nan 8.250 nan 0.000 0.437 502 A N 0.779 123.618 122.820 0.033 0.000 1.883 502 A HA -0.110 4.210 4.320 -0.000 0.000 0.217 502 A C 2.380 180.013 177.584 0.081 0.000 1.186 502 A CA 2.435 54.532 52.037 0.099 0.000 0.624 502 A CB -1.331 17.831 19.000 0.269 0.000 0.822 502 A HN 0.455 nan 8.150 nan 0.000 0.444 503 A N -0.341 122.530 122.820 0.086 0.000 1.852 503 A HA -0.293 4.027 4.320 -0.000 0.000 0.217 503 A C 2.064 179.683 177.584 0.057 0.000 1.215 503 A CA 2.166 54.261 52.037 0.096 0.000 0.641 503 A CB -0.972 18.082 19.000 0.089 0.000 0.838 503 A HN 0.665 nan 8.150 nan 0.000 0.450 504 E N -0.496 119.628 120.200 -0.127 0.000 2.086 504 E HA -0.347 4.003 4.350 -0.000 0.000 0.205 504 E C 1.756 178.248 176.600 -0.180 0.000 1.027 504 E CA 2.041 58.106 56.400 -0.558 0.000 0.830 504 E CB -0.364 28.743 29.700 -0.990 0.000 0.751 504 E HN 0.577 nan 8.360 nan 0.000 0.456 505 D N -0.898 119.421 120.400 -0.134 0.000 2.126 505 D HA -0.168 4.472 4.640 -0.000 0.000 0.190 505 D C 1.878 178.157 176.300 -0.035 0.000 1.001 505 D CA 2.228 56.185 54.000 -0.072 0.000 0.841 505 D CB -0.233 40.532 40.800 -0.059 0.000 0.949 505 D HN 0.162 nan 8.370 nan 0.000 0.446 506 T N -0.219 114.323 114.554 -0.020 0.000 2.639 506 T HA -0.074 4.276 4.350 -0.000 0.000 0.261 506 T C 2.095 176.803 174.700 0.012 0.000 1.053 506 T CA 1.110 63.188 62.100 -0.036 0.000 1.158 506 T CB -0.403 68.441 68.868 -0.039 0.000 0.863 506 T HN 0.136 nan 8.240 nan 0.000 0.413 507 I N 1.387 122.009 120.570 0.087 0.000 2.121 507 I HA -0.365 3.805 4.170 -0.000 0.000 0.243 507 I C 2.575 178.757 176.117 0.107 0.000 1.047 507 I CA 2.006 63.375 61.300 0.115 0.000 1.308 507 I CB -0.525 37.614 38.000 0.232 0.000 1.015 507 I HN 0.290 nan 8.210 nan 0.000 0.410 508 K N 1.238 121.767 120.400 0.215 0.000 2.044 508 K HA -0.272 4.048 4.320 -0.000 0.000 0.210 508 K C 2.377 178.994 176.600 0.028 0.000 1.049 508 K CA 1.875 58.251 56.287 0.147 0.000 0.927 508 K CB -0.227 32.370 32.500 0.160 0.000 0.713 508 K HN 0.180 nan 8.250 nan 0.000 0.443 509 R N 0.241 120.738 120.500 -0.005 0.000 2.075 509 R HA -0.161 4.178 4.340 -0.000 0.000 0.230 509 R C 2.400 178.647 176.300 -0.089 0.000 1.140 509 R CA 1.666 57.732 56.100 -0.056 0.000 0.928 509 R CB -0.548 29.706 30.300 -0.076 0.000 0.834 509 R HN 0.247 nan 8.270 nan 0.000 0.429 510 L N 0.592 121.754 121.223 -0.101 0.000 1.978 510 L HA -0.230 4.110 4.340 -0.000 0.000 0.218 510 L C 2.419 179.195 176.870 -0.156 0.000 1.075 510 L CA 1.677 56.423 54.840 -0.158 0.000 0.767 510 L CB -0.678 41.303 42.059 -0.130 0.000 0.890 510 L HN 0.089 nan 8.230 nan 0.000 0.434 511 V N -0.900 118.958 119.914 -0.093 0.000 2.295 511 V HA -0.358 3.762 4.120 -0.000 0.000 0.246 511 V C 2.589 178.636 176.094 -0.078 0.000 1.049 511 V CA 1.906 64.159 62.300 -0.078 0.000 1.024 511 V CB -0.524 31.268 31.823 -0.051 0.000 0.648 511 V HN 0.432 nan 8.190 nan 0.000 0.447 512 M N -0.697 118.863 119.600 -0.068 0.000 2.192 512 M HA -0.224 4.256 4.480 -0.000 0.000 0.259 512 M C 2.260 178.504 176.300 -0.092 0.000 1.071 512 M CA 1.817 57.075 55.300 -0.070 0.000 1.082 512 M CB -1.123 31.440 32.600 -0.060 0.000 1.373 512 M HN 0.350 nan 8.290 nan 0.000 0.408 513 R N 0.077 120.507 120.500 -0.116 0.000 2.128 513 R HA -0.024 4.316 4.340 -0.000 0.000 0.211 513 R C 0.310 176.534 176.300 -0.128 0.000 1.067 513 R CA 0.681 56.702 56.100 -0.132 0.000 1.010 513 R CB 0.532 30.742 30.300 -0.149 0.000 0.922 513 R HN 0.162 nan 8.270 nan 0.000 0.457 514 E N 1.123 121.229 120.200 -0.155 0.000 2.939 514 E HA 0.106 4.456 4.350 -0.000 0.000 0.215 514 E C 1.062 177.634 176.600 -0.046 0.000 1.025 514 E CA -0.176 56.154 56.400 -0.118 0.000 1.259 514 E CB 0.687 30.216 29.700 -0.285 0.000 1.228 514 E HN 0.386 nan 8.360 nan 0.000 0.443 515 I N 0.363 120.911 120.570 -0.037 0.000 2.163 515 I HA -0.251 3.919 4.170 -0.000 0.000 0.240 515 I C 1.901 178.025 176.117 0.012 0.000 1.081 515 I CA 1.291 62.584 61.300 -0.012 0.000 1.353 515 I CB -0.518 37.474 38.000 -0.012 0.000 1.054 515 I HN 0.124 nan 8.210 nan 0.000 0.407 516 T N 1.588 116.151 114.554 0.015 0.000 2.685 516 T HA -0.241 4.109 4.350 -0.000 0.000 0.268 516 T C 1.885 176.606 174.700 0.034 0.000 1.034 516 T CA 1.428 63.543 62.100 0.024 0.000 1.149 516 T CB -0.521 68.361 68.868 0.023 0.000 0.860 516 T HN 0.137 nan 8.240 nan 0.000 0.449 517 L N 0.383 121.634 121.223 0.047 0.000 2.131 517 L HA 0.125 4.465 4.340 -0.000 0.000 0.210 517 L C 1.776 178.684 176.870 0.064 0.000 1.092 517 L CA 1.435 56.316 54.840 0.069 0.000 0.759 517 L CB -0.469 41.672 42.059 0.137 0.000 0.903 517 L HN 0.282 nan 8.230 nan 0.000 0.435 518 L N -1.153 120.104 121.223 0.057 0.000 2.629 518 L HA 0.105 4.445 4.340 -0.000 0.000 0.230 518 L C 1.401 178.290 176.870 0.032 0.000 1.151 518 L CA -0.323 54.543 54.840 0.043 0.000 0.924 518 L CB -0.459 41.620 42.059 0.034 0.000 1.137 518 L HN 0.100 nan 8.230 nan 0.000 0.457 519 R N 0.202 120.722 120.500 0.034 0.000 2.641 519 R HA 0.456 4.796 4.340 -0.000 0.000 0.197 519 R C 1.821 178.145 176.300 0.041 0.000 1.408 519 R CA 0.412 56.535 56.100 0.038 0.000 1.040 519 R CB -0.759 29.562 30.300 0.036 0.000 2.279 519 R HN -0.047 nan 8.270 nan 0.000 0.520 520 A N 0.561 123.406 122.820 0.042 0.000 1.813 520 A HA -0.340 3.980 4.320 -0.000 0.000 0.282 520 A C 1.726 179.337 177.584 0.045 0.000 2.939 520 A CA 3.715 55.777 52.037 0.042 0.000 0.824 520 A CB -1.267 17.753 19.000 0.034 0.000 0.815 520 A HN 0.695 nan 8.150 nan 0.000 0.565 521 S N -4.356 111.367 115.700 0.038 0.000 2.666 521 S HA 0.187 4.657 4.470 -0.000 0.000 0.239 521 S C 1.183 175.802 174.600 0.033 0.000 1.031 521 S CA 1.076 59.299 58.200 0.037 0.000 1.015 521 S CB -0.132 63.086 63.200 0.029 0.000 0.981 521 S HN 0.624 nan 8.310 nan 0.000 0.547 522 T N 2.231 116.801 114.554 0.026 0.000 3.098 522 T HA 0.109 4.459 4.350 -0.000 0.000 0.266 522 T C 0.433 175.135 174.700 0.003 0.000 1.145 522 T CA 1.331 63.437 62.100 0.011 0.000 1.092 522 T CB -0.391 68.479 68.868 0.003 0.000 0.908 522 T HN 0.566 nan 8.240 nan 0.000 0.526 523 N N -0.312 118.402 118.700 0.023 0.000 2.542 523 N HA -0.070 4.670 4.740 -0.000 0.000 0.218 523 N C 0.092 175.701 175.510 0.166 0.000 1.607 523 N CA 0.644 53.721 53.050 0.046 0.000 3.190 523 N CB -0.632 37.833 38.487 -0.036 0.000 1.504 523 N HN 0.348 nan 8.380 nan 0.000 1.106 524 D N 0.270 120.754 120.400 0.141 0.000 2.911 524 D HA -0.208 4.432 4.640 -0.000 0.000 0.199 524 D C -0.050 176.440 176.300 0.316 0.000 1.041 524 D CA 1.941 56.065 54.000 0.207 0.000 1.013 524 D CB -0.892 40.012 40.800 0.174 0.000 1.093 524 D HN 0.739 nan 8.370 nan 0.000 0.431 525 H N -1.695 117.385 119.070 0.016 0.000 3.770 525 H HA 0.190 4.746 4.556 -0.000 0.000 0.264 525 H C 2.239 177.577 175.328 0.016 0.000 1.164 525 H CA 0.361 56.418 56.048 0.015 0.000 1.158 525 H CB -0.898 28.871 29.762 0.012 0.000 1.653 525 H HN 0.175 nan 8.280 nan 0.000 0.795 526 I N 1.625 122.062 120.570 -0.221 0.000 2.247 526 I HA -0.424 3.746 4.170 -0.000 0.000 0.249 526 I C 2.266 178.353 176.117 -0.050 0.000 1.027 526 I CA 2.091 63.294 61.300 -0.162 0.000 1.316 526 I CB -0.524 37.421 38.000 -0.091 0.000 1.007 526 I HN 0.145 nan 8.210 nan 0.000 0.430 527 L N 0.203 121.420 121.223 -0.010 0.000 2.083 527 L HA -0.188 4.152 4.340 -0.000 0.000 0.209 527 L C 2.297 179.175 176.870 0.014 0.000 1.083 527 L CA 1.309 56.151 54.840 0.003 0.000 0.752 527 L CB -0.723 41.340 42.059 0.005 0.000 0.899 527 L HN 0.374 nan 8.230 nan 0.000 0.433 528 N N -0.020 118.709 118.700 0.048 0.000 2.331 528 N HA -0.089 4.651 4.740 -0.000 0.000 0.180 528 N C 1.905 177.453 175.510 0.063 0.000 1.019 528 N CA 0.789 53.874 53.050 0.058 0.000 0.881 528 N CB -0.113 38.429 38.487 0.092 0.000 0.972 528 N HN 0.323 nan 8.380 nan 0.000 0.435 529 R N 0.572 121.114 120.500 0.070 0.000 2.115 529 R HA 0.098 4.438 4.340 -0.000 0.000 0.230 529 R C 1.171 177.499 176.300 0.047 0.000 1.111 529 R CA 0.613 56.751 56.100 0.063 0.000 0.976 529 R CB -0.061 30.242 30.300 0.004 0.000 0.870 529 R HN 0.194 nan 8.270 nan 0.000 0.445 530 L N 1.118 122.360 121.223 0.032 0.000 2.688 530 L HA 0.116 4.456 4.340 -0.000 0.000 0.234 530 L C 0.318 177.183 176.870 -0.008 0.000 1.192 530 L CA -0.215 54.641 54.840 0.027 0.000 0.984 530 L CB -0.106 41.974 42.059 0.036 0.000 1.232 530 L HN 0.013 nan 8.230 nan 0.000 0.465 531 K N 1.378 121.776 120.400 -0.004 0.000 3.078 531 K HA -0.211 4.109 4.320 -0.000 0.000 0.261 531 K C -0.095 176.473 176.600 -0.054 0.000 0.947 531 K CA 0.457 56.732 56.287 -0.020 0.000 0.702 531 K CB -1.389 31.101 32.500 -0.016 0.000 1.318 531 K HN 0.378 nan 8.250 nan 0.000 0.473 532 I N 0.880 121.408 120.570 -0.069 0.000 2.764 532 I HA 0.183 4.353 4.170 -0.000 0.000 0.294 532 I C -1.510 174.517 176.117 -0.150 0.000 1.045 532 I CA -2.475 58.742 61.300 -0.139 0.000 1.340 532 I CB 0.644 38.573 38.000 -0.119 0.000 1.436 532 I HN 0.115 nan 8.210 nan 0.000 0.567 533 P HA 0.064 nan 4.420 nan 0.000 0.266 533 P C 0.310 177.559 177.300 -0.084 0.000 1.215 533 P CA 0.218 63.212 63.100 -0.177 0.000 0.763 533 P CB 0.621 32.150 31.700 -0.285 0.000 0.806 534 S N 2.431 118.107 115.700 -0.039 0.000 2.381 534 S HA -0.293 4.177 4.470 -0.000 0.000 0.230 534 S C 1.796 176.419 174.600 0.038 0.000 1.052 534 S CA 1.661 59.858 58.200 -0.005 0.000 1.068 534 S CB -0.500 62.692 63.200 -0.013 0.000 0.918 534 S HN 0.558 nan 8.310 nan 0.000 0.448 535 Q N 0.905 120.730 119.800 0.041 0.000 1.993 535 Q HA -0.080 4.260 4.340 -0.000 0.000 0.202 535 Q C 2.128 178.186 176.000 0.097 0.000 0.984 535 Q CA 1.368 57.232 55.803 0.102 0.000 0.837 535 Q CB -0.732 28.056 28.738 0.082 0.000 0.902 535 Q HN 0.424 nan 8.270 nan 0.000 0.423 536 L N 0.158 121.394 121.223 0.021 0.000 2.051 536 L HA -0.225 4.115 4.340 -0.000 0.000 0.214 536 L C 1.987 178.861 176.870 0.007 0.000 1.076 536 L CA 1.859 56.696 54.840 -0.005 0.000 0.758 536 L CB -0.658 41.343 42.059 -0.098 0.000 0.890 536 L HN 0.436 nan 8.230 nan 0.000 0.433 537 I N -1.698 118.885 120.570 0.021 0.000 2.076 537 I HA -0.333 3.837 4.170 -0.000 0.000 0.237 537 I C 2.355 178.532 176.117 0.101 0.000 1.059 537 I CA 1.797 63.124 61.300 0.045 0.000 1.317 537 I CB -0.630 37.401 38.000 0.052 0.000 1.037 537 I HN 0.297 nan 8.210 nan 0.000 0.398 538 F N 2.300 122.241 119.950 -0.015 0.000 2.091 538 F HA -0.299 4.228 4.527 -0.000 0.000 0.299 538 F C 2.196 177.995 175.800 -0.002 0.000 1.103 538 F CA 1.941 59.938 58.000 -0.006 0.000 1.228 538 F CB -0.712 38.286 39.000 -0.004 0.000 0.984 538 F HN 0.079 nan 8.300 nan 0.000 0.477 539 N N 0.387 119.041 118.700 -0.077 0.000 2.013 539 N HA -0.156 4.584 4.740 -0.000 0.000 0.195 539 N C 2.008 177.421 175.510 -0.161 0.000 1.051 539 N CA 2.144 55.088 53.050 -0.176 0.000 0.851 539 N CB -0.972 37.489 38.487 -0.043 0.000 1.044 539 N HN 0.348 nan 8.380 nan 0.000 0.422 540 A N 0.103 122.873 122.820 -0.083 0.000 1.972 540 A HA -0.212 4.108 4.320 -0.000 0.000 0.219 540 A C 2.144 179.684 177.584 -0.075 0.000 1.169 540 A CA 1.747 53.741 52.037 -0.071 0.000 0.635 540 A CB -0.690 18.281 19.000 -0.048 0.000 0.810 540 A HN 0.387 nan 8.150 nan 0.000 0.446 541 Q N 0.179 119.935 119.800 -0.073 0.000 1.967 541 Q HA -0.042 4.298 4.340 -0.000 0.000 0.202 541 Q C 2.114 178.057 176.000 -0.096 0.000 0.985 541 Q CA 2.597 58.369 55.803 -0.051 0.000 0.839 541 Q CB -0.858 27.880 28.738 -0.000 0.000 0.906 541 Q HN 0.497 nan 8.270 nan 0.000 0.423 542 A N 0.597 123.283 122.820 -0.224 0.000 1.903 542 A HA -0.230 4.090 4.320 -0.000 0.000 0.219 542 A C 2.112 179.614 177.584 -0.136 0.000 1.191 542 A CA 1.907 53.789 52.037 -0.258 0.000 0.638 542 A CB -1.240 17.439 19.000 -0.533 0.000 0.823 542 A HN 0.541 nan 8.150 nan 0.000 0.451 543 L N -0.282 120.867 121.223 -0.124 0.000 2.043 543 L HA -0.181 4.159 4.340 -0.000 0.000 0.212 543 L C 2.279 179.151 176.870 0.003 0.000 1.075 543 L CA 2.771 57.574 54.840 -0.061 0.000 0.752 543 L CB -0.557 41.461 42.059 -0.068 0.000 0.891 543 L HN 0.506 nan 8.230 nan 0.000 0.432 544 K N -1.003 119.403 120.400 0.009 0.000 2.044 544 K HA -0.135 4.185 4.320 -0.000 0.000 0.204 544 K C 1.758 178.419 176.600 0.101 0.000 1.049 544 K CA 1.283 57.624 56.287 0.091 0.000 0.945 544 K CB -0.144 32.395 32.500 0.066 0.000 0.724 544 K HN 0.372 nan 8.250 nan 0.000 0.440 545 D N 0.666 121.089 120.400 0.038 0.000 2.149 545 D HA -0.237 4.403 4.640 -0.000 0.000 0.194 545 D C 1.990 178.309 176.300 0.031 0.000 1.001 545 D CA 1.273 55.288 54.000 0.026 0.000 0.849 545 D CB -0.157 40.648 40.800 0.009 0.000 0.939 545 D HN 0.183 nan 8.370 nan 0.000 0.449 546 R N -0.166 120.354 120.500 0.034 0.000 2.073 546 R HA -0.202 4.138 4.340 -0.000 0.000 0.234 546 R C 2.366 178.719 176.300 0.090 0.000 1.134 546 R CA 1.106 57.231 56.100 0.042 0.000 0.952 546 R CB -0.783 29.531 30.300 0.024 0.000 0.850 546 R HN 0.232 nan 8.270 nan 0.000 0.433 547 Y N 1.419 121.710 120.300 -0.014 0.000 2.089 547 Y HA -0.140 4.410 4.550 -0.000 0.000 0.282 547 Y C 1.664 177.577 175.900 0.021 0.000 1.139 547 Y CA 2.145 60.243 58.100 -0.004 0.000 1.123 547 Y CB -0.406 38.038 38.460 -0.027 0.000 0.980 547 Y HN 0.210 nan 8.280 nan 0.000 0.493 548 E N -0.222 119.870 120.200 -0.179 0.000 2.160 548 E HA -0.179 4.171 4.350 -0.000 0.000 0.195 548 E C 2.406 178.952 176.600 -0.090 0.000 0.991 548 E CA 0.819 57.069 56.400 -0.250 0.000 0.810 548 E CB -0.585 29.053 29.700 -0.103 0.000 0.742 548 E HN 0.687 nan 8.360 nan 0.000 0.466 549 G N 2.328 111.107 108.800 -0.036 0.000 2.556 549 G HA2 -0.350 3.610 3.960 -0.000 0.000 0.220 549 G HA3 -0.350 3.610 3.960 -0.000 0.000 0.220 549 G C 1.377 176.272 174.900 -0.008 0.000 1.156 549 G CA 1.465 46.561 45.100 -0.007 0.000 0.766 549 G HN 0.235 nan 8.290 nan 0.000 0.583 550 N N -0.222 118.469 118.700 -0.016 0.000 2.251 550 N HA -0.085 4.654 4.740 -0.000 0.000 0.181 550 N C 1.929 177.427 175.510 -0.020 0.000 1.019 550 N CA 1.083 54.127 53.050 -0.012 0.000 0.862 550 N CB -0.904 37.587 38.487 0.007 0.000 0.992 550 N HN 0.470 nan 8.380 nan 0.000 0.429 551 Y N 2.408 122.590 120.300 -0.196 0.000 2.219 551 Y HA -0.144 4.406 4.550 -0.000 0.000 0.283 551 Y C 0.837 176.663 175.900 -0.124 0.000 1.191 551 Y CA 1.016 58.995 58.100 -0.201 0.000 1.199 551 Y CB -0.227 38.024 38.460 -0.350 0.000 0.972 551 Y HN -0.048 nan 8.280 nan 0.000 0.527 552 L N 0.000 121.209 121.223 -0.024 0.000 2.949 552 L HA 0.000 4.340 4.340 -0.000 0.000 0.249 552 L CA 0.000 54.803 54.840 -0.062 0.000 0.813 552 L CB 0.000 42.066 42.059 0.012 0.000 0.961 552 L HN 0.000 nan 8.230 nan 0.000 0.502