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 1jpw_1_C DATA FIRST_RESID 151 DATA SEQUENCE RAIPELTKLL NDEDQVVVNK AAVMVHQLSK KEASRHAIMR SPQMVSAIVR DATA SEQUENCE TMQNTNDVET ARCTAGTLHN LSHHREGLLA IFKSGGIPAL VKMLGSPVDS DATA SEQUENCE VLFYAITTLH NLLLHQEGAK MAVRLAGGLQ KMVALLNKTN VKFLAITTDC DATA SEQUENCE LQILAYGNQE SKLIILASGG PQALVNIMRT YTYEKLLWTT SRVLKVLSVC DATA SEQUENCE SSNKPAIVEA GGMQALGLHL TDPSQRLVQN CLWTLRNLSD AATKQEGMEG DATA SEQUENCE LLGTLVQLLG SDDINVVTCA AGILSNLTCN NYKNKMMVCQ VGGIEALVRT DATA SEQUENCE VLRAGDREDI TEPAICALRH LTSRHQEAEM AQNAVRLHYG LPVVVKLLHP DATA SEQUENCE PSHWPLIKAT VGLIRNLALC PANHAPLREQ GAIPRLVQLL VRAHQDTQRX DATA SEQUENCE XXXXXXXXXF VEGVRMEEIV EGCTGALHIL ARDVHNRIVI RGLNTIPLFV DATA SEQUENCE QLLYSPIENI QRVAAGVLCE LAQDKEAAEA IEAEGATAPL TELLHSRNEG DATA SEQUENCE VATYAAAVLF RM 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 151 R HA 0.000 nan 4.340 nan 0.000 0.208 151 R C 0.000 176.303 176.300 0.006 0.000 0.893 151 R CA 0.000 56.103 56.100 0.005 0.000 0.921 151 R CB 0.000 30.302 30.300 0.003 0.000 0.687 152 A N 1.889 124.713 122.820 0.006 0.000 1.930 152 A HA 0.053 4.373 4.320 -0.000 0.000 0.215 152 A C 1.779 179.368 177.584 0.008 0.000 1.176 152 A CA 0.963 53.004 52.037 0.007 0.000 0.632 152 A CB -0.243 18.761 19.000 0.007 0.000 0.819 152 A HN 0.214 nan 8.150 nan 0.000 0.445 153 I N 0.525 121.100 120.570 0.009 0.000 2.091 153 I HA -0.223 3.947 4.170 -0.000 0.000 0.240 153 I C -0.388 175.735 176.117 0.010 0.000 1.046 153 I CA 1.660 62.967 61.300 0.011 0.000 1.306 153 I CB -2.424 35.584 38.000 0.013 0.000 1.018 153 I HN 0.155 nan 8.210 nan 0.000 0.404 154 P HA -0.159 nan 4.420 nan 0.000 0.218 154 P C 1.603 178.907 177.300 0.007 0.000 1.146 154 P CA 1.355 64.459 63.100 0.007 0.000 0.820 154 P CB 0.012 31.716 31.700 0.006 0.000 0.778 155 E N -0.695 119.509 120.200 0.007 0.000 2.051 155 E HA -0.041 4.309 4.350 -0.000 0.000 0.189 155 E C 2.114 178.718 176.600 0.008 0.000 0.979 155 E CA 0.927 57.331 56.400 0.007 0.000 0.803 155 E CB -0.866 28.838 29.700 0.006 0.000 0.761 155 E HN 0.300 nan 8.360 nan 0.000 0.451 156 L N 0.965 122.193 121.223 0.009 0.000 2.131 156 L HA -0.153 4.187 4.340 -0.000 0.000 0.210 156 L C 2.509 179.385 176.870 0.010 0.000 1.092 156 L CA 1.158 56.004 54.840 0.011 0.000 0.759 156 L CB -0.666 41.401 42.059 0.013 0.000 0.903 156 L HN 0.122 nan 8.230 nan 0.000 0.435 157 T N 0.361 114.920 114.554 0.009 0.000 2.652 157 T HA -0.229 4.121 4.350 -0.000 0.000 0.267 157 T C 1.848 176.552 174.700 0.006 0.000 1.039 157 T CA 1.940 64.044 62.100 0.008 0.000 1.153 157 T CB -0.188 68.684 68.868 0.008 0.000 0.863 157 T HN 0.474 nan 8.240 nan 0.000 0.428 158 K N 1.417 121.820 120.400 0.006 0.000 2.097 158 K HA -0.019 4.301 4.320 -0.000 0.000 0.206 158 K C 2.276 178.879 176.600 0.005 0.000 1.049 158 K CA 1.288 57.578 56.287 0.005 0.000 0.933 158 K CB -0.644 31.858 32.500 0.004 0.000 0.717 158 K HN 0.320 nan 8.250 nan 0.000 0.442 159 L N 1.133 122.360 121.223 0.006 0.000 2.093 159 L HA -0.074 4.266 4.340 -0.000 0.000 0.208 159 L C 2.639 179.513 176.870 0.006 0.000 1.085 159 L CA 0.613 55.457 54.840 0.006 0.000 0.755 159 L CB -0.456 41.607 42.059 0.007 0.000 0.904 159 L HN 0.175 nan 8.230 nan 0.000 0.435 160 L N 0.562 121.789 121.223 0.007 0.000 2.079 160 L HA -0.209 4.131 4.340 -0.000 0.000 0.210 160 L C 1.012 177.885 176.870 0.004 0.000 1.081 160 L CA 1.516 56.360 54.840 0.007 0.000 0.752 160 L CB -0.413 41.651 42.059 0.008 0.000 0.896 160 L HN 0.607 nan 8.230 nan 0.000 0.433 161 N N -0.766 117.936 118.700 0.004 0.000 2.538 161 N HA 0.046 4.786 4.740 -0.000 0.000 0.291 161 N C -0.011 175.500 175.510 0.002 0.000 1.323 161 N CA -0.226 52.825 53.050 0.002 0.000 0.934 161 N CB 0.637 39.125 38.487 0.001 0.000 1.255 161 N HN 0.292 nan 8.380 nan 0.000 0.509 162 D N 1.276 121.677 120.400 0.002 0.000 2.348 162 D HA 0.030 4.670 4.640 -0.000 0.000 0.272 162 D C 0.381 176.682 176.300 0.001 0.000 1.237 162 D CA -0.002 53.999 54.000 0.002 0.000 1.042 162 D CB 1.533 42.334 40.800 0.003 0.000 1.117 162 D HN 0.145 nan 8.370 nan 0.000 0.548 163 E N -0.687 119.513 120.200 0.001 0.000 2.367 163 E HA -0.020 4.330 4.350 -0.000 0.000 0.204 163 E C -0.424 176.176 176.600 0.000 0.000 0.840 163 E CA -0.241 56.159 56.400 0.000 0.000 1.051 163 E CB 0.290 29.990 29.700 0.000 0.000 1.051 163 E HN 0.304 nan 8.360 nan 0.000 0.509 164 D N 2.090 122.490 120.400 0.001 0.000 2.363 164 D HA -0.023 4.617 4.640 -0.000 0.000 0.263 164 D C 0.803 177.103 176.300 0.001 0.000 1.258 164 D CA 0.194 54.194 54.000 0.001 0.000 0.907 164 D CB 0.873 41.674 40.800 0.001 0.000 1.107 164 D HN -0.015 nan 8.370 nan 0.000 0.495 165 Q N 2.207 122.006 119.800 -0.000 0.000 2.508 165 Q HA -0.080 4.260 4.340 -0.000 0.000 0.214 165 Q C 1.469 177.469 176.000 -0.000 0.000 0.979 165 Q CA 0.403 56.206 55.803 -0.001 0.000 0.911 165 Q CB 0.212 28.949 28.738 -0.002 0.000 0.969 165 Q HN 0.427 nan 8.270 nan 0.000 0.504 166 V N -1.087 118.827 119.914 0.001 0.000 2.374 166 V HA -0.131 3.989 4.120 -0.000 0.000 0.241 166 V C 2.269 178.365 176.094 0.003 0.000 1.034 166 V CA 0.903 63.204 62.300 0.001 0.000 1.037 166 V CB -0.457 31.367 31.823 0.001 0.000 0.682 166 V HN 0.046 nan 8.190 nan 0.000 0.463 167 V N 0.294 120.210 119.914 0.003 0.000 2.469 167 V HA -0.212 3.908 4.120 -0.000 0.000 0.251 167 V C 2.398 178.495 176.094 0.005 0.000 1.064 167 V CA 1.865 64.168 62.300 0.005 0.000 1.066 167 V CB -0.493 31.333 31.823 0.004 0.000 0.667 167 V HN 0.427 nan 8.190 nan 0.000 0.461 168 V N 0.057 119.973 119.914 0.004 0.000 2.548 168 V HA -0.157 3.963 4.120 -0.000 0.000 0.249 168 V C 2.222 178.320 176.094 0.005 0.000 1.055 168 V CA 1.878 64.180 62.300 0.005 0.000 1.065 168 V CB -0.827 30.998 31.823 0.003 0.000 0.681 168 V HN 0.511 nan 8.190 nan 0.000 0.462 169 N N 0.827 119.529 118.700 0.004 0.000 2.083 169 N HA -0.155 4.585 4.740 -0.000 0.000 0.190 169 N C 1.955 177.470 175.510 0.008 0.000 1.047 169 N CA 1.556 54.608 53.050 0.003 0.000 0.845 169 N CB -0.370 38.117 38.487 0.001 0.000 1.025 169 N HN 0.432 nan 8.380 nan 0.000 0.428 170 K N 0.721 121.127 120.400 0.009 0.000 2.103 170 K HA -0.104 4.216 4.320 -0.000 0.000 0.207 170 K C 1.715 178.326 176.600 0.018 0.000 1.048 170 K CA 1.526 57.821 56.287 0.014 0.000 0.930 170 K CB -0.267 32.239 32.500 0.012 0.000 0.716 170 K HN 0.149 nan 8.250 nan 0.000 0.444 171 A N 1.439 124.269 122.820 0.016 0.000 1.873 171 A HA -0.028 4.292 4.320 -0.000 0.000 0.215 171 A C 2.492 180.091 177.584 0.025 0.000 1.186 171 A CA 1.952 54.000 52.037 0.018 0.000 0.616 171 A CB -0.911 18.097 19.000 0.014 0.000 0.823 171 A HN 0.524 nan 8.150 nan 0.000 0.442 172 A N -0.462 122.371 122.820 0.022 0.000 1.917 172 A HA -0.081 4.239 4.320 -0.000 0.000 0.219 172 A C 2.246 179.859 177.584 0.047 0.000 1.182 172 A CA 2.059 54.112 52.037 0.027 0.000 0.633 172 A CB -1.061 17.947 19.000 0.013 0.000 0.819 172 A HN 0.439 nan 8.150 nan 0.000 0.448 173 V N 0.061 120.000 119.914 0.042 0.000 2.295 173 V HA -0.345 3.775 4.120 -0.000 0.000 0.246 173 V C 2.668 178.819 176.094 0.095 0.000 1.049 173 V CA 2.294 64.633 62.300 0.066 0.000 1.024 173 V CB -0.784 31.066 31.823 0.045 0.000 0.648 173 V HN 0.591 nan 8.190 nan 0.000 0.447 174 M N -0.573 119.062 119.600 0.059 0.000 2.149 174 M HA -0.160 4.320 4.480 -0.000 0.000 0.261 174 M C 2.253 178.582 176.300 0.047 0.000 1.064 174 M CA 1.553 56.882 55.300 0.047 0.000 1.102 174 M CB -0.676 31.942 32.600 0.030 0.000 1.369 174 M HN 0.257 nan 8.290 nan 0.000 0.408 175 V N -0.191 119.755 119.914 0.053 0.000 2.332 175 V HA -0.316 3.804 4.120 -0.000 0.000 0.248 175 V C 2.461 178.589 176.094 0.057 0.000 1.055 175 V CA 2.092 64.419 62.300 0.045 0.000 1.038 175 V CB -1.150 30.699 31.823 0.044 0.000 0.651 175 V HN 0.551 nan 8.190 nan 0.000 0.450 176 H N -0.096 118.968 119.070 -0.010 0.000 2.290 176 H HA -0.242 4.314 4.556 -0.000 0.000 0.298 176 H C 2.419 177.738 175.328 -0.015 0.000 1.087 176 H CA 2.277 58.314 56.048 -0.018 0.000 1.291 176 H CB 0.139 29.896 29.762 -0.008 0.000 1.369 176 H HN 0.366 nan 8.280 nan 0.000 0.492 177 Q N 0.523 120.283 119.800 -0.068 0.000 2.234 177 Q HA -0.102 4.238 4.340 -0.000 0.000 0.206 177 Q C 2.267 178.198 176.000 -0.116 0.000 0.980 177 Q CA 0.846 56.577 55.803 -0.120 0.000 0.869 177 Q CB -0.268 28.465 28.738 -0.008 0.000 0.912 177 Q HN 0.389 nan 8.270 nan 0.000 0.436 178 L N -0.449 120.731 121.223 -0.073 0.000 2.291 178 L HA -0.036 4.304 4.340 -0.000 0.000 0.214 178 L C 1.814 178.640 176.870 -0.074 0.000 1.120 178 L CA 1.502 56.312 54.840 -0.051 0.000 0.799 178 L CB -0.339 41.710 42.059 -0.017 0.000 0.925 178 L HN 0.281 nan 8.230 nan 0.000 0.446 179 S N -2.484 113.139 115.700 -0.128 0.000 2.593 179 S HA -0.002 4.468 4.470 -0.000 0.000 0.217 179 S C 1.665 176.155 174.600 -0.182 0.000 0.966 179 S CA 0.017 58.133 58.200 -0.141 0.000 0.914 179 S CB -0.232 62.882 63.200 -0.143 0.000 0.776 179 S HN 0.396 nan 8.310 nan 0.000 0.523 180 K N 1.009 121.297 120.400 -0.186 0.000 2.314 180 K HA 0.129 4.449 4.320 -0.000 0.000 0.198 180 K C 0.867 177.406 176.600 -0.101 0.000 1.045 180 K CA 0.747 56.937 56.287 -0.162 0.000 0.988 180 K CB -0.103 32.302 32.500 -0.158 0.000 0.783 180 K HN 0.439 nan 8.250 nan 0.000 0.484 181 K N 3.178 123.536 120.400 -0.070 0.000 2.315 181 K HA -0.004 4.316 4.320 -0.000 0.000 0.291 181 K C 0.786 177.382 176.600 -0.007 0.000 1.074 181 K CA -0.095 56.174 56.287 -0.031 0.000 0.936 181 K CB -0.473 32.018 32.500 -0.015 0.000 1.049 181 K HN 0.372 nan 8.250 nan 0.000 0.471 182 E N 1.589 121.785 120.200 -0.008 0.000 2.208 182 E HA -0.299 4.051 4.350 -0.000 0.000 0.202 182 E C 1.711 178.445 176.600 0.222 0.000 1.014 182 E CA 1.736 58.160 56.400 0.041 0.000 0.819 182 E CB -0.271 29.451 29.700 0.038 0.000 0.735 182 E HN 0.632 nan 8.360 nan 0.000 0.469 183 A N 0.855 123.761 122.820 0.143 0.000 1.975 183 A HA 0.050 4.370 4.320 -0.000 0.000 0.215 183 A C 2.280 179.948 177.584 0.140 0.000 1.170 183 A CA 0.981 53.094 52.037 0.127 0.000 0.656 183 A CB -0.145 18.863 19.000 0.013 0.000 0.821 183 A HN 0.243 nan 8.150 nan 0.000 0.449 184 S N -0.791 114.962 115.700 0.088 0.000 2.414 184 S HA -0.087 4.383 4.470 -0.000 0.000 0.227 184 S C 2.111 176.757 174.600 0.077 0.000 1.022 184 S CA 1.235 59.470 58.200 0.058 0.000 0.958 184 S CB -0.285 62.924 63.200 0.016 0.000 0.797 184 S HN 0.619 nan 8.310 nan 0.000 0.493 185 R N 0.633 121.185 120.500 0.087 0.000 2.096 185 R HA -0.165 4.175 4.340 -0.000 0.000 0.240 185 R C 1.871 178.209 176.300 0.062 0.000 1.139 185 R CA 2.314 58.438 56.100 0.040 0.000 0.952 185 R CB -0.785 29.512 30.300 -0.005 0.000 0.854 185 R HN 0.479 nan 8.270 nan 0.000 0.436 186 H N -0.324 118.779 119.070 0.055 0.000 2.289 186 H HA -0.102 4.454 4.556 -0.000 0.000 0.294 186 H C 1.910 177.240 175.328 0.004 0.000 1.095 186 H CA 2.126 58.184 56.048 0.018 0.000 1.256 186 H CB -0.586 29.172 29.762 -0.006 0.000 1.359 186 H HN 0.466 nan 8.280 nan 0.000 0.487 187 A N 1.033 123.939 122.820 0.142 0.000 1.948 187 A HA -0.190 4.130 4.320 -0.000 0.000 0.220 187 A C 2.410 180.021 177.584 0.045 0.000 1.177 187 A CA 1.759 53.839 52.037 0.071 0.000 0.636 187 A CB -0.721 18.308 19.000 0.049 0.000 0.815 187 A HN 0.359 nan 8.150 nan 0.000 0.449 188 I N 0.120 120.712 120.570 0.037 0.000 2.090 188 I HA -0.328 3.842 4.170 -0.000 0.000 0.236 188 I C 2.886 179.011 176.117 0.014 0.000 1.064 188 I CA 2.201 63.512 61.300 0.018 0.000 1.324 188 I CB -0.876 37.128 38.000 0.006 0.000 1.044 188 I HN 0.575 nan 8.210 nan 0.000 0.399 189 M N 1.348 120.950 119.600 0.005 0.000 2.260 189 M HA -0.197 4.283 4.480 -0.000 0.000 0.261 189 M C 1.843 178.148 176.300 0.009 0.000 1.066 189 M CA 1.847 57.148 55.300 0.001 0.000 1.082 189 M CB -0.971 31.615 32.600 -0.022 0.000 1.388 189 M HN 0.190 nan 8.290 nan 0.000 0.419 190 R N 0.735 121.245 120.500 0.015 0.000 2.334 190 R HA 0.249 4.589 4.340 -0.000 0.000 0.220 190 R C 0.479 176.789 176.300 0.018 0.000 0.917 190 R CA 0.399 56.510 56.100 0.018 0.000 1.073 190 R CB -0.158 30.155 30.300 0.023 0.000 1.056 190 R HN 0.270 nan 8.270 nan 0.000 0.506 191 S N 1.826 117.536 115.700 0.017 0.000 2.505 191 S HA 0.320 4.790 4.470 -0.000 0.000 0.280 191 S C -1.697 172.911 174.600 0.013 0.000 1.197 191 S CA -1.942 56.267 58.200 0.014 0.000 1.138 191 S CB 0.984 64.192 63.200 0.014 0.000 1.010 191 S HN 0.020 nan 8.310 nan 0.000 0.480 192 P HA -0.181 nan 4.420 nan 0.000 0.218 192 P C 0.984 178.289 177.300 0.008 0.000 1.146 192 P CA 1.209 64.316 63.100 0.012 0.000 0.820 192 P CB 0.153 31.859 31.700 0.011 0.000 0.778 193 Q N -1.248 118.556 119.800 0.008 0.000 2.124 193 Q HA -0.123 4.217 4.340 -0.000 0.000 0.202 193 Q C 2.309 178.313 176.000 0.007 0.000 0.977 193 Q CA 1.557 57.363 55.803 0.006 0.000 0.850 193 Q CB -0.779 27.962 28.738 0.006 0.000 0.901 193 Q HN 0.276 nan 8.270 nan 0.000 0.429 194 M N -0.782 118.823 119.600 0.009 0.000 2.134 194 M HA -0.077 4.403 4.480 -0.000 0.000 0.262 194 M C 1.712 178.019 176.300 0.010 0.000 1.076 194 M CA 1.085 56.391 55.300 0.010 0.000 1.143 194 M CB -0.011 32.596 32.600 0.012 0.000 1.346 194 M HN 0.035 nan 8.290 nan 0.000 0.421 195 V N -0.270 119.651 119.914 0.012 0.000 2.287 195 V HA -0.272 3.848 4.120 -0.000 0.000 0.248 195 V C 2.503 178.603 176.094 0.009 0.000 1.053 195 V CA 2.173 64.481 62.300 0.013 0.000 1.027 195 V CB -1.275 30.559 31.823 0.017 0.000 0.646 195 V HN 0.625 nan 8.190 nan 0.000 0.447 196 S N -0.626 115.077 115.700 0.005 0.000 2.370 196 S HA -0.203 4.267 4.470 -0.000 0.000 0.226 196 S C 2.164 176.764 174.600 0.000 0.000 1.033 196 S CA 1.564 59.763 58.200 -0.001 0.000 1.011 196 S CB -0.385 62.813 63.200 -0.003 0.000 0.852 196 S HN 0.653 nan 8.310 nan 0.000 0.457 197 A N 1.276 124.098 122.820 0.003 0.000 1.902 197 A HA -0.029 4.291 4.320 -0.000 0.000 0.217 197 A C 2.044 179.632 177.584 0.006 0.000 1.181 197 A CA 1.389 53.428 52.037 0.004 0.000 0.623 197 A CB -0.723 18.280 19.000 0.006 0.000 0.818 197 A HN 0.581 nan 8.150 nan 0.000 0.443 198 I N -0.304 120.271 120.570 0.009 0.000 2.163 198 I HA -0.242 3.928 4.170 -0.000 0.000 0.243 198 I C 2.374 178.497 176.117 0.009 0.000 1.085 198 I CA 1.411 62.718 61.300 0.011 0.000 1.347 198 I CB -0.511 37.498 38.000 0.016 0.000 1.044 198 I HN 0.166 nan 8.210 nan 0.000 0.408 199 V N 1.071 120.989 119.914 0.008 0.000 2.261 199 V HA -0.323 3.797 4.120 -0.000 0.000 0.246 199 V C 3.167 179.262 176.094 0.001 0.000 1.047 199 V CA 2.672 64.975 62.300 0.005 0.000 1.015 199 V CB -1.393 30.430 31.823 -0.001 0.000 0.642 199 V HN 0.528 nan 8.190 nan 0.000 0.446 200 R N -0.106 120.393 120.500 -0.002 0.000 2.127 200 R HA -0.213 4.127 4.340 -0.000 0.000 0.238 200 R C 2.196 178.495 176.300 -0.001 0.000 1.134 200 R CA 2.315 58.413 56.100 -0.004 0.000 0.975 200 R CB -1.889 28.408 30.300 -0.005 0.000 0.865 200 R HN 0.634 nan 8.270 nan 0.000 0.447 201 T N 0.158 114.713 114.554 0.001 0.000 2.809 201 T HA -0.015 4.335 4.350 -0.000 0.000 0.260 201 T C 2.038 176.738 174.700 0.001 0.000 1.039 201 T CA 1.234 63.335 62.100 0.001 0.000 1.141 201 T CB -0.222 68.647 68.868 0.002 0.000 0.869 201 T HN 0.437 nan 8.240 nan 0.000 0.437 202 M N 1.071 120.673 119.600 0.003 0.000 2.149 202 M HA -0.179 4.301 4.480 -0.000 0.000 0.261 202 M C 2.351 178.653 176.300 0.004 0.000 1.064 202 M CA 1.699 57.002 55.300 0.004 0.000 1.102 202 M CB -0.235 32.371 32.600 0.011 0.000 1.369 202 M HN 0.242 nan 8.290 nan 0.000 0.408 203 Q N -0.403 119.399 119.800 0.003 0.000 2.311 203 Q HA -0.120 4.220 4.340 -0.000 0.000 0.203 203 Q C 1.030 177.029 176.000 -0.001 0.000 0.954 203 Q CA 1.198 57.002 55.803 0.001 0.000 0.885 203 Q CB 0.261 28.999 28.738 -0.001 0.000 0.963 203 Q HN 0.544 nan 8.270 nan 0.000 0.471 204 N N -0.290 118.409 118.700 -0.002 0.000 2.420 204 N HA -0.032 4.708 4.740 -0.000 0.000 0.185 204 N C 0.276 175.784 175.510 -0.004 0.000 1.033 204 N CA 0.804 53.852 53.050 -0.003 0.000 0.879 204 N CB -0.642 37.843 38.487 -0.003 0.000 1.071 204 N HN 0.076 nan 8.380 nan 0.000 0.437 205 T N 0.648 115.200 114.554 -0.004 0.000 2.870 205 T HA -0.150 4.200 4.350 -0.000 0.000 0.311 205 T C 0.860 175.555 174.700 -0.008 0.000 1.052 205 T CA 0.677 62.774 62.100 -0.006 0.000 1.131 205 T CB 0.108 68.972 68.868 -0.006 0.000 1.082 205 T HN 0.099 nan 8.240 nan 0.000 0.511 206 N N 1.594 120.289 118.700 -0.009 0.000 2.197 206 N HA 0.185 4.925 4.740 -0.000 0.000 0.201 206 N C -0.630 174.872 175.510 -0.013 0.000 1.148 206 N CA -0.176 52.868 53.050 -0.010 0.000 0.883 206 N CB 0.335 38.817 38.487 -0.009 0.000 1.012 206 N HN 0.671 nan 8.380 nan 0.000 0.507 207 D N -0.617 119.775 120.400 -0.013 0.000 2.210 207 D HA 0.085 4.725 4.640 -0.000 0.000 0.249 207 D C 1.467 177.755 176.300 -0.020 0.000 1.062 207 D CA -0.277 53.714 54.000 -0.016 0.000 0.891 207 D CB 1.739 42.531 40.800 -0.013 0.000 1.186 207 D HN -0.056 nan 8.370 nan 0.000 0.432 208 V N 0.813 120.712 119.914 -0.025 0.000 3.461 208 V HA 0.104 4.224 4.120 -0.000 0.000 0.267 208 V C 1.402 177.475 176.094 -0.034 0.000 1.186 208 V CA 0.752 63.032 62.300 -0.033 0.000 1.154 208 V CB -0.031 31.767 31.823 -0.041 0.000 0.802 208 V HN 0.407 nan 8.190 nan 0.000 0.474 209 E N 1.688 121.871 120.200 -0.028 0.000 2.201 209 E HA 0.004 4.354 4.350 -0.000 0.000 0.193 209 E C 2.071 178.650 176.600 -0.035 0.000 0.957 209 E CA 1.690 58.072 56.400 -0.030 0.000 0.858 209 E CB -0.493 29.195 29.700 -0.021 0.000 0.816 209 E HN 0.629 nan 8.360 nan 0.000 0.475 210 T N 0.569 115.108 114.554 -0.026 0.000 2.746 210 T HA -0.098 4.252 4.350 -0.000 0.000 0.267 210 T C 1.873 176.557 174.700 -0.028 0.000 1.039 210 T CA 1.528 63.614 62.100 -0.024 0.000 1.142 210 T CB -0.485 68.375 68.868 -0.014 0.000 0.866 210 T HN 0.275 nan 8.240 nan 0.000 0.444 211 A N 2.152 124.959 122.820 -0.022 0.000 1.845 211 A HA -0.143 4.177 4.320 -0.000 0.000 0.215 211 A C 2.320 179.903 177.584 -0.001 0.000 1.195 211 A CA 1.965 53.996 52.037 -0.011 0.000 0.616 211 A CB -0.800 18.192 19.000 -0.014 0.000 0.832 211 A HN 0.447 nan 8.150 nan 0.000 0.443 212 R N -0.501 119.994 120.500 -0.009 0.000 2.136 212 R HA -0.242 4.098 4.340 -0.000 0.000 0.242 212 R C 2.269 178.543 176.300 -0.044 0.000 1.131 212 R CA 2.486 58.602 56.100 0.027 0.000 0.937 212 R CB -1.076 29.213 30.300 -0.018 0.000 0.863 212 R HN 0.587 nan 8.270 nan 0.000 0.435 213 C N 0.106 119.291 119.300 -0.192 0.000 2.504 213 C HA -0.142 4.318 4.460 -0.000 0.000 0.285 213 C C 2.973 177.828 174.990 -0.225 0.000 1.225 213 C CA 1.791 60.555 59.018 -0.423 0.000 1.755 213 C CB -1.397 26.202 27.740 -0.234 0.000 2.065 213 C HN 0.797 nan 8.230 nan 0.000 0.452 214 T N 0.429 114.936 114.554 -0.078 0.000 2.848 214 T HA -0.180 4.170 4.350 -0.000 0.000 0.269 214 T C 1.579 176.267 174.700 -0.019 0.000 1.081 214 T CA 1.886 63.974 62.100 -0.019 0.000 1.125 214 T CB -0.412 68.454 68.868 -0.004 0.000 0.848 214 T HN 0.612 nan 8.240 nan 0.000 0.503 215 A N 1.587 124.387 122.820 -0.035 0.000 1.878 215 A HA 0.451 4.771 4.320 -0.000 0.000 0.213 215 A C 2.754 180.220 177.584 -0.198 0.000 1.192 215 A CA 1.080 53.109 52.037 -0.014 0.000 0.619 215 A CB -1.373 17.696 19.000 0.115 0.000 0.837 215 A HN 0.572 nan 8.150 nan 0.000 0.446 216 G N -0.774 107.731 108.800 -0.491 0.000 2.422 216 G HA2 -0.136 3.824 3.960 -0.000 0.000 0.218 216 G HA3 -0.136 3.824 3.960 -0.000 0.000 0.218 216 G C 1.535 176.331 174.900 -0.174 0.000 1.146 216 G CA 1.715 46.277 45.100 -0.898 0.000 0.769 216 G HN 0.415 nan 8.290 nan 0.000 0.547 217 T N 1.429 116.027 114.554 0.072 0.000 2.595 217 T HA -0.184 4.166 4.350 -0.000 0.000 0.264 217 T C 2.159 176.855 174.700 -0.006 0.000 1.058 217 T CA 1.418 63.563 62.100 0.074 0.000 1.166 217 T CB -0.392 68.533 68.868 0.094 0.000 0.863 217 T HN 0.231 nan 8.240 nan 0.000 0.415 218 L N 0.905 122.136 121.223 0.014 0.000 2.450 218 L HA -0.022 4.318 4.340 -0.000 0.000 0.224 218 L C 1.916 178.845 176.870 0.098 0.000 1.149 218 L CA 1.639 56.504 54.840 0.041 0.000 0.816 218 L CB -1.008 41.078 42.059 0.045 0.000 0.932 218 L HN 0.498 nan 8.230 nan 0.000 0.449 219 H N -1.304 117.741 119.070 -0.042 0.000 2.399 219 H HA 0.003 4.559 4.556 -0.000 0.000 0.300 219 H C 1.269 176.658 175.328 0.101 0.000 1.048 219 H CA 0.628 56.702 56.048 0.042 0.000 1.370 219 H CB 0.375 30.107 29.762 -0.050 0.000 1.428 219 H HN 0.349 nan 8.280 nan 0.000 0.534 220 N N 0.929 119.487 118.700 -0.235 0.000 2.453 220 N HA -0.074 4.666 4.740 -0.000 0.000 0.183 220 N C 1.843 177.092 175.510 -0.435 0.000 1.041 220 N CA 0.547 53.299 53.050 -0.497 0.000 0.900 220 N CB 0.152 38.422 38.487 -0.361 0.000 0.961 220 N HN 0.474 nan 8.380 nan 0.000 0.443 221 L N 0.116 121.245 121.223 -0.157 0.000 2.298 221 L HA 0.029 4.369 4.340 -0.000 0.000 0.209 221 L C 2.325 179.221 176.870 0.042 0.000 1.084 221 L CA 0.434 55.239 54.840 -0.058 0.000 0.816 221 L CB -0.457 41.598 42.059 -0.006 0.000 0.967 221 L HN 0.110 nan 8.230 nan 0.000 0.460 222 S N 0.286 116.067 115.700 0.135 0.000 2.374 222 S HA -0.265 4.205 4.470 -0.000 0.000 0.227 222 S C 1.450 176.249 174.600 0.332 0.000 1.037 222 S CA 1.579 59.922 58.200 0.238 0.000 1.024 222 S CB -1.038 62.356 63.200 0.324 0.000 0.861 222 S HN 0.719 nan 8.310 nan 0.000 0.456 223 H N -0.716 118.416 119.070 0.104 0.000 2.610 223 H HA 0.512 5.068 4.556 -0.000 0.000 0.302 223 H C 0.184 175.592 175.328 0.134 0.000 1.063 223 H CA -0.519 55.599 56.048 0.118 0.000 1.159 223 H CB -0.169 29.621 29.762 0.048 0.000 1.427 223 H HN 0.344 nan 8.280 nan 0.000 0.553 224 H N 0.257 119.336 119.070 0.015 0.000 2.894 224 H HA 0.318 4.874 4.556 -0.000 0.000 0.368 224 H C 0.762 176.078 175.328 -0.021 0.000 1.181 224 H CA -1.262 54.743 56.048 -0.072 0.000 1.146 224 H CB 1.669 31.302 29.762 -0.215 0.000 1.839 224 H HN -0.002 nan 8.280 nan 0.000 0.557 225 R N 0.717 121.182 120.500 -0.058 0.000 2.065 225 R HA -0.062 4.278 4.340 -0.000 0.000 0.224 225 R C 1.359 177.653 176.300 -0.010 0.000 1.161 225 R CA 1.171 57.255 56.100 -0.026 0.000 0.923 225 R CB -0.299 29.959 30.300 -0.071 0.000 0.822 225 R HN 0.676 nan 8.270 nan 0.000 0.437 226 E N 0.208 120.380 120.200 -0.047 0.000 2.208 226 E HA -0.170 4.180 4.350 -0.000 0.000 0.202 226 E C 1.731 178.341 176.600 0.016 0.000 1.014 226 E CA 1.247 57.642 56.400 -0.009 0.000 0.819 226 E CB -0.658 29.033 29.700 -0.016 0.000 0.735 226 E HN 0.597 nan 8.360 nan 0.000 0.469 227 G N 2.250 111.056 108.800 0.010 0.000 2.802 227 G HA2 -0.324 3.636 3.960 -0.000 0.000 0.222 227 G HA3 -0.324 3.636 3.960 -0.000 0.000 0.222 227 G C 1.585 176.526 174.900 0.068 0.000 1.248 227 G CA 2.069 47.196 45.100 0.045 0.000 0.787 227 G HN 0.298 nan 8.290 nan 0.000 0.643 228 L N -0.483 120.786 121.223 0.077 0.000 1.994 228 L HA 0.001 4.341 4.340 -0.000 0.000 0.208 228 L C 2.818 179.741 176.870 0.089 0.000 1.071 228 L CA 1.396 56.269 54.840 0.056 0.000 0.745 228 L CB -1.913 40.144 42.059 -0.004 0.000 0.892 228 L HN 0.229 nan 8.230 nan 0.000 0.431 229 L N 0.993 122.258 121.223 0.071 0.000 1.978 229 L HA -0.209 4.131 4.340 -0.000 0.000 0.218 229 L C 2.850 179.817 176.870 0.161 0.000 1.075 229 L CA 2.273 57.176 54.840 0.105 0.000 0.767 229 L CB -1.220 40.876 42.059 0.061 0.000 0.890 229 L HN 0.296 nan 8.230 nan 0.000 0.434 230 A N -0.150 122.728 122.820 0.097 0.000 1.852 230 A HA -0.290 4.030 4.320 -0.000 0.000 0.217 230 A C 2.287 179.925 177.584 0.090 0.000 1.215 230 A CA 2.640 54.723 52.037 0.077 0.000 0.641 230 A CB -1.233 17.794 19.000 0.046 0.000 0.838 230 A HN 0.538 nan 8.150 nan 0.000 0.450 231 I N -1.756 118.868 120.570 0.090 0.000 2.229 231 I HA -0.320 3.850 4.170 -0.000 0.000 0.250 231 I C 2.254 178.438 176.117 0.112 0.000 1.096 231 I CA 1.948 63.300 61.300 0.087 0.000 1.358 231 I CB -0.431 37.623 38.000 0.091 0.000 1.047 231 I HN 0.541 nan 8.210 nan 0.000 0.422 232 F N 2.445 122.394 119.950 -0.002 0.000 1.980 232 F HA -0.268 4.259 4.527 -0.000 0.000 0.298 232 F C 2.304 178.104 175.800 0.000 0.000 1.255 232 F CA 1.527 59.525 58.000 -0.005 0.000 1.179 232 F CB -0.311 38.684 39.000 -0.009 0.000 0.957 232 F HN -0.125 nan 8.300 nan 0.000 0.507 233 K N 0.497 120.857 120.400 -0.066 0.000 2.675 233 K HA -0.125 4.195 4.320 -0.000 0.000 0.195 233 K C 0.658 177.186 176.600 -0.119 0.000 1.036 233 K CA 1.016 57.208 56.287 -0.159 0.000 0.935 233 K CB -1.070 31.475 32.500 0.076 0.000 0.779 233 K HN 0.304 nan 8.250 nan 0.000 0.494 234 S N -1.012 114.622 115.700 -0.110 0.000 2.701 234 S HA 0.324 4.794 4.470 -0.000 0.000 0.242 234 S C 1.044 175.595 174.600 -0.083 0.000 1.025 234 S CA -0.282 57.877 58.200 -0.068 0.000 1.016 234 S CB 1.012 64.198 63.200 -0.023 0.000 0.977 234 S HN 0.503 nan 8.310 nan 0.000 0.546 235 G N 1.102 109.819 108.800 -0.138 0.000 2.132 235 G HA2 -0.184 3.776 3.960 -0.000 0.000 0.234 235 G HA3 -0.184 3.776 3.960 -0.000 0.000 0.234 235 G C 0.899 175.755 174.900 -0.072 0.000 0.989 235 G CA 0.093 45.124 45.100 -0.115 0.000 0.676 235 G HN 0.785 nan 8.290 nan 0.000 0.522 236 G N 0.284 109.048 108.800 -0.060 0.000 2.418 236 G HA2 -0.035 3.925 3.960 -0.000 0.000 0.217 236 G HA3 -0.035 3.925 3.960 -0.000 0.000 0.217 236 G C 1.754 176.660 174.900 0.009 0.000 1.158 236 G CA 1.405 46.501 45.100 -0.007 0.000 0.771 236 G HN 0.621 nan 8.290 nan 0.000 0.545 237 I N 1.300 121.870 120.570 0.001 0.000 2.202 237 I HA -0.056 4.114 4.170 -0.000 0.000 0.242 237 I C -0.127 175.998 176.117 0.013 0.000 1.091 237 I CA 0.722 62.038 61.300 0.026 0.000 1.368 237 I CB -0.653 37.376 38.000 0.050 0.000 1.058 237 I HN 0.126 nan 8.210 nan 0.000 0.410 238 P HA -0.232 nan 4.420 nan 0.000 0.215 238 P C 1.441 178.744 177.300 0.004 0.000 1.157 238 P CA 2.011 65.107 63.100 -0.007 0.000 0.874 238 P CB -0.047 31.638 31.700 -0.026 0.000 0.790 239 A N -1.053 121.768 122.820 0.001 0.000 1.972 239 A HA -0.143 4.177 4.320 -0.000 0.000 0.219 239 A C 2.164 179.762 177.584 0.024 0.000 1.169 239 A CA 1.357 53.399 52.037 0.009 0.000 0.635 239 A CB -1.561 17.442 19.000 0.005 0.000 0.810 239 A HN 0.132 nan 8.150 nan 0.000 0.446 240 L N -0.712 120.530 121.223 0.033 0.000 2.156 240 L HA -0.083 4.257 4.340 -0.000 0.000 0.208 240 L C 2.261 179.164 176.870 0.054 0.000 1.095 240 L CA 0.602 55.472 54.840 0.050 0.000 0.770 240 L CB -0.363 41.733 42.059 0.061 0.000 0.914 240 L HN 0.210 nan 8.230 nan 0.000 0.439 241 V N -0.085 119.856 119.914 0.045 0.000 2.809 241 V HA -0.210 3.910 4.120 -0.000 0.000 0.256 241 V C 2.493 178.611 176.094 0.041 0.000 1.080 241 V CA 1.321 63.650 62.300 0.047 0.000 1.102 241 V CB -0.510 31.337 31.823 0.039 0.000 0.705 241 V HN 0.404 nan 8.190 nan 0.000 0.475 242 K N 0.092 120.511 120.400 0.031 0.000 2.076 242 K HA -0.074 4.246 4.320 -0.000 0.000 0.204 242 K C 1.992 178.607 176.600 0.025 0.000 1.051 242 K CA 1.073 57.374 56.287 0.023 0.000 0.949 242 K CB -0.078 32.431 32.500 0.015 0.000 0.726 242 K HN 0.273 nan 8.250 nan 0.000 0.443 243 M N 1.303 120.922 119.600 0.030 0.000 2.706 243 M HA -0.084 4.396 4.480 -0.000 0.000 0.251 243 M C 1.625 177.945 176.300 0.033 0.000 1.070 243 M CA 0.907 56.224 55.300 0.028 0.000 1.073 243 M CB -0.568 32.056 32.600 0.040 0.000 1.449 243 M HN 0.143 nan 8.290 nan 0.000 0.531 244 L N -1.051 120.203 121.223 0.050 0.000 2.554 244 L HA 0.055 4.395 4.340 -0.000 0.000 0.226 244 L C 1.970 178.866 176.870 0.043 0.000 1.137 244 L CA 0.195 55.079 54.840 0.073 0.000 0.863 244 L CB -0.416 41.704 42.059 0.102 0.000 0.985 244 L HN 0.327 nan 8.230 nan 0.000 0.451 245 G N -1.145 107.668 108.800 0.021 0.000 3.284 245 G HA2 -0.018 3.942 3.960 -0.000 0.000 0.236 245 G HA3 -0.018 3.942 3.960 -0.000 0.000 0.236 245 G C 0.486 175.375 174.900 -0.018 0.000 1.158 245 G CA -0.069 45.034 45.100 0.006 0.000 0.774 245 G HN 0.159 nan 8.290 nan 0.000 0.545 246 S N 0.928 116.609 115.700 -0.031 0.000 2.565 246 S HA 0.393 4.863 4.470 -0.000 0.000 0.276 246 S C -0.649 173.894 174.600 -0.095 0.000 1.326 246 S CA -1.067 57.098 58.200 -0.059 0.000 1.045 246 S CB 1.760 64.921 63.200 -0.065 0.000 0.918 246 S HN 0.093 nan 8.310 nan 0.000 0.505 247 P HA 0.146 nan 4.420 nan 0.000 0.238 247 P C -0.195 177.012 177.300 -0.155 0.000 1.183 247 P CA 0.148 63.182 63.100 -0.111 0.000 0.813 247 P CB -0.022 31.631 31.700 -0.078 0.000 0.944 248 V N 3.466 123.284 119.914 -0.161 0.000 2.397 248 V HA -0.002 4.118 4.120 -0.000 0.000 0.262 248 V C 1.502 177.393 176.094 -0.338 0.000 1.047 248 V CA 0.285 62.463 62.300 -0.204 0.000 1.003 248 V CB -0.085 31.645 31.823 -0.155 0.000 1.037 248 V HN 0.053 nan 8.190 nan 0.000 0.480 249 D N 3.256 123.384 120.400 -0.453 0.000 2.157 249 D HA -0.210 4.430 4.640 -0.000 0.000 0.191 249 D C 2.133 177.697 176.300 -1.227 0.000 1.004 249 D CA 2.178 55.648 54.000 -0.884 0.000 0.854 249 D CB 0.078 40.409 40.800 -0.782 0.000 0.936 249 D HN 0.708 nan 8.370 nan 0.000 0.446 250 S N 0.608 115.859 115.700 -0.749 0.000 2.359 250 S HA -0.138 4.332 4.470 -0.000 0.000 0.224 250 S C 2.363 176.674 174.600 -0.481 0.000 1.035 250 S CA 1.001 58.823 58.200 -0.630 0.000 1.018 250 S CB -0.750 62.221 63.200 -0.381 0.000 0.876 250 S HN 0.114 nan 8.310 nan 0.000 0.448 251 V N 1.886 121.633 119.914 -0.277 0.000 2.759 251 V HA -0.049 4.071 4.120 -0.000 0.000 0.256 251 V C 2.182 178.230 176.094 -0.076 0.000 1.080 251 V CA 1.105 63.358 62.300 -0.078 0.000 1.101 251 V CB -0.857 30.930 31.823 -0.060 0.000 0.698 251 V HN 0.404 nan 8.190 nan 0.000 0.477 252 L N -1.171 119.903 121.223 -0.249 0.000 2.034 252 L HA -0.054 4.286 4.340 -0.000 0.000 0.203 252 L C 2.423 179.398 176.870 0.175 0.000 1.074 252 L CA 1.777 56.547 54.840 -0.117 0.000 0.748 252 L CB -0.487 41.352 42.059 -0.367 0.000 0.905 252 L HN 0.267 nan 8.230 nan 0.000 0.439 253 F N -1.384 118.542 119.950 -0.039 0.000 2.161 253 F HA -0.309 4.218 4.527 -0.000 0.000 0.300 253 F C 2.383 178.184 175.800 0.002 0.000 1.089 253 F CA 0.892 58.892 58.000 0.000 0.000 1.282 253 F CB -0.481 38.447 39.000 -0.120 0.000 1.010 253 F HN 0.088 nan 8.300 nan 0.000 0.485 254 Y N 0.163 120.526 120.300 0.104 0.000 2.242 254 Y HA -0.201 4.349 4.550 -0.000 0.000 0.291 254 Y C 2.584 178.467 175.900 -0.027 0.000 1.137 254 Y CA 0.218 58.299 58.100 -0.032 0.000 1.181 254 Y CB -0.240 38.244 38.460 0.040 0.000 0.989 254 Y HN 0.047 nan 8.280 nan 0.000 0.527 255 A N 0.351 123.297 122.820 0.210 0.000 1.832 255 A HA -0.167 4.153 4.320 -0.000 0.000 0.214 255 A C 2.015 179.682 177.584 0.138 0.000 1.204 255 A CA 1.244 53.371 52.037 0.150 0.000 0.606 255 A CB -0.958 18.122 19.000 0.133 0.000 0.849 255 A HN 0.305 nan 8.150 nan 0.000 0.445 256 I N 0.637 121.319 120.570 0.186 0.000 2.143 256 I HA -0.246 3.924 4.170 -0.000 0.000 0.245 256 I C 2.503 178.669 176.117 0.083 0.000 1.068 256 I CA 2.313 63.702 61.300 0.148 0.000 1.326 256 I CB -1.328 36.805 38.000 0.221 0.000 1.028 256 I HN 0.345 nan 8.210 nan 0.000 0.412 257 T N -0.802 113.783 114.554 0.051 0.000 2.833 257 T HA -0.153 4.197 4.350 -0.000 0.000 0.269 257 T C 1.844 176.574 174.700 0.050 0.000 1.054 257 T CA 1.847 63.942 62.100 -0.008 0.000 1.135 257 T CB -0.297 68.476 68.868 -0.158 0.000 0.869 257 T HN 0.334 nan 8.240 nan 0.000 0.466 258 T N 1.135 115.717 114.554 0.048 0.000 3.023 258 T HA 0.162 4.512 4.350 -0.000 0.000 0.266 258 T C 1.738 176.501 174.700 0.105 0.000 1.093 258 T CA 0.432 62.612 62.100 0.133 0.000 1.129 258 T CB -0.168 68.790 68.868 0.150 0.000 0.899 258 T HN 0.147 nan 8.240 nan 0.000 0.491 259 L N -0.216 121.066 121.223 0.098 0.000 2.209 259 L HA 0.077 4.417 4.340 -0.000 0.000 0.207 259 L C 2.374 179.293 176.870 0.082 0.000 1.094 259 L CA 1.044 55.931 54.840 0.080 0.000 0.790 259 L CB -0.367 41.741 42.059 0.081 0.000 0.932 259 L HN 0.381 nan 8.230 nan 0.000 0.447 260 H N -0.010 119.065 119.070 0.007 0.000 2.353 260 H HA -0.155 4.401 4.556 -0.000 0.000 0.300 260 H C 1.836 177.176 175.328 0.021 0.000 1.090 260 H CA 2.131 58.181 56.048 0.004 0.000 1.327 260 H CB 0.284 30.045 29.762 -0.001 0.000 1.383 260 H HN 0.432 nan 8.280 nan 0.000 0.508 261 N N 0.166 118.903 118.700 0.061 0.000 2.058 261 N HA -0.129 4.611 4.740 -0.000 0.000 0.191 261 N C 2.291 177.560 175.510 -0.402 0.000 1.037 261 N CA 1.145 54.199 53.050 0.008 0.000 0.848 261 N CB -0.041 38.518 38.487 0.120 0.000 1.021 261 N HN 0.204 nan 8.380 nan 0.000 0.422 262 L N 0.800 121.864 121.223 -0.266 0.000 2.013 262 L HA -0.215 4.125 4.340 -0.000 0.000 0.212 262 L C 2.135 178.866 176.870 -0.231 0.000 1.073 262 L CA 1.119 55.791 54.840 -0.280 0.000 0.753 262 L CB -0.589 41.429 42.059 -0.068 0.000 0.890 262 L HN 0.263 nan 8.230 nan 0.000 0.432 263 L N -0.786 120.357 121.223 -0.134 0.000 2.127 263 L HA -0.252 4.088 4.340 -0.000 0.000 0.211 263 L C 2.549 179.356 176.870 -0.104 0.000 1.089 263 L CA 0.954 55.734 54.840 -0.099 0.000 0.757 263 L CB -0.434 41.578 42.059 -0.078 0.000 0.899 263 L HN 0.340 nan 8.230 nan 0.000 0.434 264 L N -0.770 120.393 121.223 -0.101 0.000 2.056 264 L HA -0.171 4.169 4.340 -0.000 0.000 0.207 264 L C 2.438 179.443 176.870 0.226 0.000 1.078 264 L CA 1.461 56.338 54.840 0.061 0.000 0.749 264 L CB -0.813 41.338 42.059 0.153 0.000 0.901 264 L HN 0.518 nan 8.230 nan 0.000 0.433 265 H N -1.908 117.112 119.070 -0.084 0.000 3.309 265 H HA 0.125 4.681 4.556 -0.000 0.000 0.195 265 H C 0.628 175.893 175.328 -0.105 0.000 1.202 265 H CA -0.766 55.237 56.048 -0.076 0.000 1.470 265 H CB -1.126 28.605 29.762 -0.051 0.000 1.411 265 H HN -0.125 nan 8.280 nan 0.000 0.477 266 Q N 3.290 123.027 119.800 -0.104 0.000 3.252 266 Q HA -0.151 4.189 4.340 -0.000 0.000 0.402 266 Q C 0.552 176.372 176.000 -0.299 0.000 1.131 266 Q CA 0.555 56.208 55.803 -0.250 0.000 1.152 266 Q CB 0.254 28.793 28.738 -0.332 0.000 1.184 266 Q HN 0.663 nan 8.270 nan 0.000 0.516 267 E N 2.918 122.891 120.200 -0.379 0.000 4.252 267 E HA -0.030 4.320 4.350 -0.000 0.000 0.504 267 E C 0.831 177.226 176.600 -0.341 0.000 1.537 267 E CA 0.040 56.256 56.400 -0.307 0.000 3.138 267 E CB -0.499 29.038 29.700 -0.273 0.000 1.223 267 E HN 0.833 nan 8.360 nan 0.000 0.580 268 G N 0.025 108.711 108.800 -0.189 0.000 2.198 268 G HA2 -0.174 3.786 3.960 -0.000 0.000 0.275 268 G HA3 -0.174 3.786 3.960 -0.000 0.000 0.275 268 G C 0.800 175.789 174.900 0.148 0.000 0.669 268 G CA 0.893 46.008 45.100 0.024 0.000 0.765 268 G HN 0.609 nan 8.290 nan 0.000 0.488 269 A N -0.164 122.664 122.820 0.014 0.000 1.887 269 A HA 0.184 4.504 4.320 -0.000 0.000 0.212 269 A C 2.309 179.941 177.584 0.080 0.000 1.198 269 A CA 1.595 53.688 52.037 0.093 0.000 0.628 269 A CB -0.137 18.849 19.000 -0.024 0.000 0.847 269 A HN 0.426 nan 8.150 nan 0.000 0.449 270 K N -0.748 119.674 120.400 0.036 0.000 2.009 270 K HA -0.157 4.163 4.320 -0.000 0.000 0.210 270 K C 2.178 178.807 176.600 0.049 0.000 1.049 270 K CA 1.775 58.083 56.287 0.034 0.000 0.929 270 K CB -0.287 32.227 32.500 0.023 0.000 0.714 270 K HN 0.526 nan 8.250 nan 0.000 0.440 271 M N 0.483 120.118 119.600 0.058 0.000 2.229 271 M HA -0.132 4.348 4.480 -0.000 0.000 0.264 271 M C 2.069 178.411 176.300 0.069 0.000 1.063 271 M CA 1.538 56.873 55.300 0.059 0.000 1.114 271 M CB -0.184 32.453 32.600 0.062 0.000 1.387 271 M HN 0.166 nan 8.290 nan 0.000 0.420 272 A N -0.276 122.608 122.820 0.107 0.000 1.873 272 A HA -0.090 4.230 4.320 -0.000 0.000 0.215 272 A C 2.042 179.664 177.584 0.063 0.000 1.186 272 A CA 1.643 53.739 52.037 0.098 0.000 0.616 272 A CB -1.002 18.107 19.000 0.182 0.000 0.823 272 A HN 0.390 nan 8.150 nan 0.000 0.442 273 V N -0.147 119.808 119.914 0.068 0.000 2.407 273 V HA -0.258 3.862 4.120 -0.000 0.000 0.248 273 V C 2.615 178.732 176.094 0.038 0.000 1.055 273 V CA 2.240 64.570 62.300 0.050 0.000 1.049 273 V CB -0.819 31.033 31.823 0.048 0.000 0.662 273 V HN 0.519 nan 8.190 nan 0.000 0.455 274 R N -0.493 120.029 120.500 0.038 0.000 2.082 274 R HA -0.130 4.210 4.340 -0.000 0.000 0.234 274 R C 2.361 178.676 176.300 0.024 0.000 1.136 274 R CA 1.731 57.848 56.100 0.029 0.000 0.935 274 R CB -0.454 29.863 30.300 0.028 0.000 0.842 274 R HN 0.383 nan 8.270 nan 0.000 0.430 275 L N -0.117 121.120 121.223 0.024 0.000 2.042 275 L HA -0.179 4.161 4.340 -0.000 0.000 0.210 275 L C 2.280 179.158 176.870 0.013 0.000 1.076 275 L CA 1.282 56.132 54.840 0.016 0.000 0.749 275 L CB -0.419 41.648 42.059 0.013 0.000 0.893 275 L HN 0.324 nan 8.230 nan 0.000 0.432 276 A N -0.426 122.403 122.820 0.015 0.000 2.248 276 A HA 0.116 4.436 4.320 -0.000 0.000 0.210 276 A C 1.561 179.156 177.584 0.018 0.000 1.174 276 A CA 0.814 52.859 52.037 0.014 0.000 0.750 276 A CB -0.790 18.220 19.000 0.016 0.000 0.780 276 A HN 0.592 nan 8.150 nan 0.000 0.478 277 G N -1.843 106.969 108.800 0.020 0.000 2.225 277 G HA2 -0.128 3.832 3.960 -0.000 0.000 0.264 277 G HA3 -0.128 3.832 3.960 -0.000 0.000 0.264 277 G C 1.033 175.949 174.900 0.027 0.000 1.060 277 G CA 0.545 45.658 45.100 0.021 0.000 0.833 277 G HN 1.197 nan 8.290 nan 0.000 0.498 278 G N -0.242 108.577 108.800 0.030 0.000 2.408 278 G HA2 0.035 3.995 3.960 -0.000 0.000 0.217 278 G HA3 0.035 3.995 3.960 -0.000 0.000 0.217 278 G C 1.840 176.760 174.900 0.034 0.000 1.150 278 G CA 1.147 46.268 45.100 0.036 0.000 0.776 278 G HN 0.622 nan 8.290 nan 0.000 0.542 279 L N -0.046 121.194 121.223 0.028 0.000 2.012 279 L HA -0.189 4.151 4.340 -0.000 0.000 0.210 279 L C 3.192 180.079 176.870 0.028 0.000 1.073 279 L CA 1.450 56.305 54.840 0.025 0.000 0.748 279 L CB -0.544 41.527 42.059 0.021 0.000 0.891 279 L HN 0.173 nan 8.230 nan 0.000 0.431 280 Q N -0.049 119.767 119.800 0.028 0.000 2.061 280 Q HA -0.198 4.142 4.340 -0.000 0.000 0.204 280 Q C 2.236 178.259 176.000 0.038 0.000 0.984 280 Q CA 1.406 57.226 55.803 0.029 0.000 0.846 280 Q CB -0.244 28.509 28.738 0.025 0.000 0.902 280 Q HN 0.217 nan 8.270 nan 0.000 0.421 281 K N 0.147 120.572 120.400 0.042 0.000 2.002 281 K HA -0.057 4.263 4.320 -0.000 0.000 0.209 281 K C 2.086 178.730 176.600 0.075 0.000 1.048 281 K CA 1.454 57.775 56.287 0.056 0.000 0.930 281 K CB -0.430 32.105 32.500 0.059 0.000 0.714 281 K HN 0.326 nan 8.250 nan 0.000 0.438 282 M N 0.359 119.997 119.600 0.064 0.000 2.080 282 M HA -0.168 4.312 4.480 -0.000 0.000 0.260 282 M C 2.265 178.600 176.300 0.057 0.000 1.068 282 M CA 1.343 56.678 55.300 0.059 0.000 1.109 282 M CB -0.391 32.221 32.600 0.020 0.000 1.342 282 M HN -0.158 nan 8.290 nan 0.000 0.405 283 V N 0.404 120.345 119.914 0.044 0.000 2.392 283 V HA -0.265 3.855 4.120 -0.000 0.000 0.249 283 V C 2.569 178.699 176.094 0.061 0.000 1.059 283 V CA 1.946 64.272 62.300 0.044 0.000 1.051 283 V CB -1.209 30.634 31.823 0.034 0.000 0.658 283 V HN 0.544 nan 8.190 nan 0.000 0.455 284 A N -0.522 122.337 122.820 0.065 0.000 2.019 284 A HA -0.078 4.242 4.320 -0.000 0.000 0.219 284 A C 2.049 179.690 177.584 0.095 0.000 1.164 284 A CA 1.369 53.446 52.037 0.068 0.000 0.644 284 A CB -0.421 18.613 19.000 0.057 0.000 0.805 284 A HN 0.543 nan 8.150 nan 0.000 0.449 285 L N -0.337 120.968 121.223 0.137 0.000 2.591 285 L HA 0.118 4.458 4.340 -0.000 0.000 0.228 285 L C 1.258 178.276 176.870 0.248 0.000 1.133 285 L CA -0.078 54.901 54.840 0.231 0.000 0.880 285 L CB -0.154 42.150 42.059 0.408 0.000 1.033 285 L HN 0.338 nan 8.230 nan 0.000 0.450 286 L N 0.735 122.046 121.223 0.147 0.000 2.675 286 L HA -0.097 4.243 4.340 -0.000 0.000 0.238 286 L C 1.624 178.578 176.870 0.140 0.000 1.155 286 L CA 0.386 55.299 54.840 0.123 0.000 0.881 286 L CB -0.571 41.536 42.059 0.079 0.000 1.008 286 L HN 0.522 nan 8.230 nan 0.000 0.443 287 N N -1.632 117.151 118.700 0.140 0.000 2.373 287 N HA -0.041 4.699 4.740 -0.000 0.000 0.181 287 N C 0.667 176.256 175.510 0.132 0.000 1.082 287 N CA 0.008 53.132 53.050 0.123 0.000 0.885 287 N CB 0.114 38.653 38.487 0.086 0.000 0.977 287 N HN -0.058 nan 8.380 nan 0.000 0.462 288 K N 0.332 120.825 120.400 0.155 0.000 2.344 288 K HA 0.013 4.333 4.320 -0.000 0.000 0.260 288 K C 1.034 177.711 176.600 0.128 0.000 0.988 288 K CA 0.818 57.179 56.287 0.123 0.000 0.909 288 K CB 0.404 32.990 32.500 0.144 0.000 0.968 288 K HN 0.444 nan 8.250 nan 0.000 0.505 289 T N -2.985 111.619 114.554 0.084 0.000 3.023 289 T HA -0.003 4.347 4.350 -0.000 0.000 0.253 289 T C 0.646 175.329 174.700 -0.027 0.000 1.038 289 T CA -0.248 61.898 62.100 0.076 0.000 0.962 289 T CB 0.069 68.994 68.868 0.095 0.000 1.018 289 T HN 0.358 nan 8.240 nan 0.000 0.521 290 N N 3.028 121.719 118.700 -0.015 0.000 2.448 290 N HA 0.071 4.811 4.740 -0.000 0.000 0.250 290 N C 1.699 177.110 175.510 -0.165 0.000 1.136 290 N CA 0.128 53.126 53.050 -0.087 0.000 0.953 290 N CB 1.410 39.860 38.487 -0.061 0.000 1.251 290 N HN 0.278 nan 8.380 nan 0.000 0.502 291 V N 2.700 122.417 119.914 -0.327 0.000 2.370 291 V HA -0.267 3.853 4.120 -0.000 0.000 0.252 291 V C 2.030 177.930 176.094 -0.323 0.000 1.068 291 V CA 1.486 63.530 62.300 -0.427 0.000 1.061 291 V CB -0.537 30.959 31.823 -0.545 0.000 0.656 291 V HN 0.495 nan 8.190 nan 0.000 0.455 292 K N -0.508 119.681 120.400 -0.352 0.000 2.097 292 K HA -0.054 4.266 4.320 -0.000 0.000 0.205 292 K C 2.003 178.459 176.600 -0.240 0.000 1.050 292 K CA 1.716 57.833 56.287 -0.284 0.000 0.938 292 K CB -0.354 31.957 32.500 -0.315 0.000 0.718 292 K HN 0.587 nan 8.250 nan 0.000 0.442 293 F N 1.944 121.665 119.950 -0.381 0.000 2.134 293 F HA -0.146 4.381 4.527 -0.000 0.000 0.299 293 F C 1.703 177.401 175.800 -0.171 0.000 1.097 293 F CA 1.244 59.059 58.000 -0.309 0.000 1.264 293 F CB -0.228 38.630 39.000 -0.235 0.000 1.001 293 F HN -0.115 nan 8.300 nan 0.000 0.479 294 L N -0.034 121.045 121.223 -0.240 0.000 2.083 294 L HA -0.178 4.162 4.340 -0.000 0.000 0.209 294 L C 2.795 179.515 176.870 -0.252 0.000 1.083 294 L CA 1.058 55.741 54.840 -0.262 0.000 0.752 294 L CB -1.221 40.749 42.059 -0.147 0.000 0.899 294 L HN 0.265 nan 8.230 nan 0.000 0.433 295 A N 0.279 122.987 122.820 -0.187 0.000 1.933 295 A HA -0.170 4.150 4.320 -0.000 0.000 0.218 295 A C 2.102 179.560 177.584 -0.209 0.000 1.175 295 A CA 1.410 53.382 52.037 -0.109 0.000 0.628 295 A CB -0.390 18.624 19.000 0.024 0.000 0.814 295 A HN 0.296 nan 8.150 nan 0.000 0.444 296 I N -0.251 120.122 120.570 -0.329 0.000 2.500 296 I HA -0.094 4.076 4.170 -0.000 0.000 0.252 296 I C 2.336 178.238 176.117 -0.358 0.000 1.142 296 I CA 1.594 62.633 61.300 -0.435 0.000 1.451 296 I CB -2.031 35.698 38.000 -0.451 0.000 1.093 296 I HN 0.206 nan 8.210 nan 0.000 0.430 297 T N 1.054 115.340 114.554 -0.447 0.000 2.737 297 T HA -0.133 4.217 4.350 -0.000 0.000 0.265 297 T C 2.005 176.590 174.700 -0.191 0.000 1.038 297 T CA 2.191 64.074 62.100 -0.361 0.000 1.144 297 T CB -0.496 68.046 68.868 -0.542 0.000 0.866 297 T HN 0.533 nan 8.240 nan 0.000 0.434 298 T N 0.674 115.121 114.554 -0.179 0.000 2.746 298 T HA -0.178 4.172 4.350 -0.000 0.000 0.267 298 T C 1.738 176.382 174.700 -0.093 0.000 1.039 298 T CA 1.742 63.777 62.100 -0.108 0.000 1.142 298 T CB -0.610 68.203 68.868 -0.092 0.000 0.866 298 T HN 0.268 nan 8.240 nan 0.000 0.444 299 D N -0.051 120.288 120.400 -0.101 0.000 2.219 299 D HA -0.005 4.635 4.640 -0.000 0.000 0.205 299 D C 2.003 178.322 176.300 0.031 0.000 0.970 299 D CA 0.483 54.455 54.000 -0.047 0.000 0.851 299 D CB -0.598 40.205 40.800 0.006 0.000 0.943 299 D HN 0.488 nan 8.370 nan 0.000 0.488 300 C N -0.291 119.031 119.300 0.036 0.000 2.457 300 C HA 0.028 4.488 4.460 -0.000 0.000 0.278 300 C C 2.676 177.677 174.990 0.018 0.000 1.309 300 C CA 0.168 59.224 59.018 0.065 0.000 1.735 300 C CB -1.016 26.751 27.740 0.046 0.000 1.992 300 C HN 0.429 nan 8.230 nan 0.000 0.493 301 L N 0.231 121.449 121.223 -0.008 0.000 2.083 301 L HA -0.187 4.153 4.340 -0.000 0.000 0.209 301 L C 2.861 179.733 176.870 0.003 0.000 1.083 301 L CA 1.310 56.148 54.840 -0.004 0.000 0.752 301 L CB -0.897 41.154 42.059 -0.013 0.000 0.899 301 L HN 0.406 nan 8.230 nan 0.000 0.433 302 Q N 0.903 120.695 119.800 -0.013 0.000 2.084 302 Q HA -0.195 4.145 4.340 -0.000 0.000 0.202 302 Q C 2.242 178.256 176.000 0.023 0.000 0.978 302 Q CA 1.728 57.525 55.803 -0.009 0.000 0.844 302 Q CB -0.083 28.613 28.738 -0.070 0.000 0.898 302 Q HN 0.565 nan 8.270 nan 0.000 0.426 303 I N 0.461 121.032 120.570 0.002 0.000 2.493 303 I HA -0.255 3.915 4.170 -0.000 0.000 0.254 303 I C 2.105 178.248 176.117 0.043 0.000 1.160 303 I CA 0.620 61.923 61.300 0.005 0.000 1.445 303 I CB -0.093 37.890 38.000 -0.029 0.000 1.086 303 I HN 0.161 nan 8.210 nan 0.000 0.433 304 L N -0.026 121.219 121.223 0.037 0.000 2.307 304 L HA 0.056 4.396 4.340 -0.000 0.000 0.211 304 L C 2.590 179.485 176.870 0.042 0.000 1.099 304 L CA 0.631 55.493 54.840 0.037 0.000 0.816 304 L CB -0.260 41.814 42.059 0.026 0.000 0.952 304 L HN 0.161 nan 8.230 nan 0.000 0.455 305 A N -1.102 121.747 122.820 0.048 0.000 1.984 305 A HA -0.119 4.201 4.320 -0.000 0.000 0.214 305 A C 0.776 178.384 177.584 0.039 0.000 1.173 305 A CA -0.054 52.003 52.037 0.033 0.000 0.673 305 A CB -0.428 18.587 19.000 0.024 0.000 0.830 305 A HN 0.278 nan 8.150 nan 0.000 0.453 306 Y N 1.849 122.129 120.300 -0.034 0.000 2.852 306 Y HA 0.237 4.787 4.550 -0.000 0.000 0.343 306 Y C 1.339 177.220 175.900 -0.032 0.000 1.280 306 Y CA 0.667 58.744 58.100 -0.039 0.000 1.604 306 Y CB -0.391 38.043 38.460 -0.045 0.000 1.216 306 Y HN 0.599 nan 8.280 nan 0.000 0.541 307 G N 5.086 113.553 108.800 -0.556 0.000 2.323 307 G HA2 -0.332 3.628 3.960 -0.000 0.000 0.292 307 G HA3 -0.332 3.628 3.960 -0.000 0.000 0.292 307 G C -0.213 174.589 174.900 -0.164 0.000 1.040 307 G CA 0.414 45.276 45.100 -0.397 0.000 0.942 307 G HN 0.901 nan 8.290 nan 0.000 0.506 308 N N -0.389 118.243 118.700 -0.112 0.000 2.793 308 N HA 0.194 4.934 4.740 -0.000 0.000 0.251 308 N C 1.077 176.560 175.510 -0.045 0.000 1.308 308 N CA -0.158 52.858 53.050 -0.057 0.000 0.781 308 N CB 1.104 39.577 38.487 -0.024 0.000 1.439 308 N HN 0.179 nan 8.380 nan 0.000 0.562 309 Q N 1.880 121.651 119.800 -0.047 0.000 2.077 309 Q HA -0.178 4.162 4.340 -0.000 0.000 0.206 309 Q C 1.074 177.062 176.000 -0.021 0.000 0.989 309 Q CA 2.007 57.788 55.803 -0.035 0.000 0.853 309 Q CB 0.228 28.946 28.738 -0.033 0.000 0.907 309 Q HN 0.532 nan 8.270 nan 0.000 0.418 310 E N -0.092 120.098 120.200 -0.016 0.000 2.049 310 E HA -0.181 4.169 4.350 -0.000 0.000 0.198 310 E C 2.154 178.752 176.600 -0.004 0.000 1.007 310 E CA 1.625 58.020 56.400 -0.008 0.000 0.809 310 E CB -0.670 29.027 29.700 -0.005 0.000 0.749 310 E HN 0.333 nan 8.360 nan 0.000 0.450 311 S N 1.019 116.717 115.700 -0.004 0.000 2.400 311 S HA -0.144 4.326 4.470 -0.000 0.000 0.232 311 S C 1.819 176.419 174.600 0.001 0.000 1.025 311 S CA 1.229 59.430 58.200 0.002 0.000 0.993 311 S CB -0.108 63.095 63.200 0.006 0.000 0.808 311 S HN 0.256 nan 8.310 nan 0.000 0.478 312 K N 0.687 121.083 120.400 -0.006 0.000 2.155 312 K HA 0.119 4.439 4.320 -0.000 0.000 0.203 312 K C 1.894 178.493 176.600 -0.002 0.000 1.052 312 K CA 0.679 56.962 56.287 -0.006 0.000 0.948 312 K CB -0.227 32.263 32.500 -0.016 0.000 0.728 312 K HN 0.303 nan 8.250 nan 0.000 0.448 313 L N 0.802 122.023 121.223 -0.003 0.000 2.109 313 L HA -0.120 4.220 4.340 -0.000 0.000 0.207 313 L C 2.232 179.104 176.870 0.004 0.000 1.086 313 L CA 0.956 55.796 54.840 -0.000 0.000 0.760 313 L CB -0.287 41.771 42.059 -0.002 0.000 0.910 313 L HN 0.146 nan 8.230 nan 0.000 0.437 314 I N -0.186 120.387 120.570 0.005 0.000 2.286 314 I HA -0.270 3.900 4.170 -0.000 0.000 0.245 314 I C 2.351 178.474 176.117 0.011 0.000 1.104 314 I CA 1.357 62.662 61.300 0.009 0.000 1.397 314 I CB -0.185 37.821 38.000 0.010 0.000 1.072 314 I HN 0.164 nan 8.210 nan 0.000 0.417 315 I N 0.309 120.886 120.570 0.011 0.000 2.361 315 I HA -0.276 3.894 4.170 -0.000 0.000 0.251 315 I C 2.470 178.595 176.117 0.013 0.000 1.133 315 I CA 1.039 62.347 61.300 0.013 0.000 1.413 315 I CB -0.253 37.754 38.000 0.011 0.000 1.073 315 I HN 0.259 nan 8.210 nan 0.000 0.424 316 L N 1.105 122.334 121.223 0.010 0.000 2.109 316 L HA 0.007 4.347 4.340 -0.000 0.000 0.207 316 L C 2.500 179.377 176.870 0.011 0.000 1.086 316 L CA 1.903 56.749 54.840 0.010 0.000 0.760 316 L CB -0.739 41.324 42.059 0.007 0.000 0.910 316 L HN 0.145 nan 8.230 nan 0.000 0.437 317 A N -1.709 121.117 122.820 0.010 0.000 1.968 317 A HA -0.071 4.249 4.320 -0.000 0.000 0.217 317 A C 2.186 179.778 177.584 0.013 0.000 1.169 317 A CA 1.437 53.481 52.037 0.010 0.000 0.638 317 A CB -0.603 18.403 19.000 0.009 0.000 0.812 317 A HN 0.477 nan 8.150 nan 0.000 0.446 318 S N -1.058 114.651 115.700 0.015 0.000 2.607 318 S HA 0.328 4.798 4.470 -0.000 0.000 0.224 318 S C 1.334 175.946 174.600 0.021 0.000 0.969 318 S CA 0.694 58.905 58.200 0.019 0.000 0.927 318 S CB -0.132 63.081 63.200 0.021 0.000 0.772 318 S HN 1.616 nan 8.310 nan 0.000 0.533 319 G N 1.063 109.874 108.800 0.019 0.000 2.160 319 G HA2 -0.229 3.731 3.960 -0.000 0.000 0.244 319 G HA3 -0.229 3.731 3.960 -0.000 0.000 0.244 319 G C 0.769 175.684 174.900 0.024 0.000 1.022 319 G CA 0.187 45.300 45.100 0.021 0.000 0.741 319 G HN 0.612 nan 8.290 nan 0.000 0.508 320 G N 0.254 109.068 108.800 0.024 0.000 2.422 320 G HA2 0.094 4.054 3.960 -0.000 0.000 0.218 320 G HA3 0.094 4.054 3.960 -0.000 0.000 0.218 320 G C 0.130 175.046 174.900 0.027 0.000 1.140 320 G CA 1.576 46.692 45.100 0.026 0.000 0.775 320 G HN 0.541 nan 8.290 nan 0.000 0.545 321 P HA -0.158 nan 4.420 nan 0.000 0.213 321 P C 1.844 179.162 177.300 0.030 0.000 1.170 321 P CA 1.906 65.021 63.100 0.025 0.000 0.898 321 P CB -0.131 31.581 31.700 0.021 0.000 0.787 322 Q N -0.460 119.357 119.800 0.028 0.000 2.364 322 Q HA -0.066 4.274 4.340 -0.000 0.000 0.209 322 Q C 1.770 177.793 176.000 0.037 0.000 0.977 322 Q CA 1.990 57.810 55.803 0.029 0.000 0.885 322 Q CB -1.358 27.394 28.738 0.024 0.000 0.941 322 Q HN 0.137 nan 8.270 nan 0.000 0.464 323 A N 0.798 123.643 122.820 0.043 0.000 1.878 323 A HA 0.114 4.434 4.320 -0.000 0.000 0.213 323 A C 2.072 179.696 177.584 0.067 0.000 1.192 323 A CA 0.779 52.849 52.037 0.056 0.000 0.619 323 A CB -0.529 18.505 19.000 0.056 0.000 0.837 323 A HN 0.352 nan 8.150 nan 0.000 0.446 324 L N -0.297 120.960 121.223 0.056 0.000 2.017 324 L HA -0.167 4.173 4.340 -0.000 0.000 0.208 324 L C 2.506 179.418 176.870 0.070 0.000 1.073 324 L CA 1.166 56.041 54.840 0.059 0.000 0.745 324 L CB -0.655 41.428 42.059 0.040 0.000 0.894 324 L HN 0.221 nan 8.230 nan 0.000 0.432 325 V N 0.351 120.300 119.914 0.058 0.000 2.392 325 V HA -0.327 3.793 4.120 -0.000 0.000 0.249 325 V C 2.350 178.482 176.094 0.062 0.000 1.059 325 V CA 2.116 64.450 62.300 0.058 0.000 1.051 325 V CB -0.776 31.072 31.823 0.042 0.000 0.658 325 V HN 0.589 nan 8.190 nan 0.000 0.455 326 N N 0.091 118.826 118.700 0.058 0.000 2.309 326 N HA -0.096 4.644 4.740 -0.000 0.000 0.182 326 N C 1.801 177.349 175.510 0.064 0.000 1.018 326 N CA 1.243 54.321 53.050 0.046 0.000 0.876 326 N CB 0.003 38.514 38.487 0.040 0.000 0.972 326 N HN 0.490 nan 8.380 nan 0.000 0.434 327 I N 0.900 121.546 120.570 0.127 0.000 2.202 327 I HA -0.251 3.919 4.170 -0.000 0.000 0.242 327 I C 2.204 178.443 176.117 0.202 0.000 1.091 327 I CA 0.783 62.224 61.300 0.235 0.000 1.368 327 I CB -0.202 37.942 38.000 0.240 0.000 1.058 327 I HN 0.109 nan 8.210 nan 0.000 0.410 328 M N 0.130 119.827 119.600 0.162 0.000 2.260 328 M HA -0.195 4.285 4.480 -0.000 0.000 0.261 328 M C 2.269 178.709 176.300 0.234 0.000 1.066 328 M CA 1.652 57.076 55.300 0.206 0.000 1.082 328 M CB -1.315 31.392 32.600 0.177 0.000 1.388 328 M HN 0.250 nan 8.290 nan 0.000 0.419 329 R N -0.904 119.659 120.500 0.105 0.000 2.055 329 R HA -0.031 4.309 4.340 -0.000 0.000 0.226 329 R C 2.248 178.539 176.300 -0.015 0.000 1.135 329 R CA 1.699 57.820 56.100 0.035 0.000 0.959 329 R CB -0.453 29.844 30.300 -0.004 0.000 0.854 329 R HN 0.338 nan 8.270 nan 0.000 0.431 330 T N 0.143 114.623 114.554 -0.124 0.000 2.770 330 T HA -0.029 4.321 4.350 -0.000 0.000 0.258 330 T C 0.263 174.750 174.700 -0.354 0.000 1.039 330 T CA 1.092 62.989 62.100 -0.339 0.000 1.143 330 T CB -0.191 68.265 68.868 -0.687 0.000 0.866 330 T HN 0.013 nan 8.240 nan 0.000 0.428 331 Y N 1.540 121.895 120.300 0.092 0.000 2.298 331 Y HA 0.367 4.917 4.550 -0.000 0.000 0.329 331 Y C 1.717 177.681 175.900 0.107 0.000 1.293 331 Y CA -0.694 57.462 58.100 0.094 0.000 1.388 331 Y CB 0.440 38.956 38.460 0.092 0.000 1.309 331 Y HN 0.046 nan 8.280 nan 0.000 0.544 332 T N -3.409 111.318 114.554 0.289 0.000 3.170 332 T HA 0.100 4.450 4.350 -0.000 0.000 0.288 332 T C -0.558 174.245 174.700 0.171 0.000 0.992 332 T CA -0.214 61.995 62.100 0.183 0.000 0.909 332 T CB -0.746 68.213 68.868 0.152 0.000 1.133 332 T HN 0.405 nan 8.240 nan 0.000 0.530 333 Y N 3.496 123.837 120.300 0.069 0.000 2.624 333 Y HA 0.289 4.839 4.550 -0.000 0.000 0.354 333 Y C 1.604 177.503 175.900 -0.002 0.000 1.051 333 Y CA -1.472 56.638 58.100 0.017 0.000 1.377 333 Y CB 0.522 38.974 38.460 -0.014 0.000 1.168 333 Y HN 0.144 nan 8.280 nan 0.000 0.525 334 E N 4.580 124.599 120.200 -0.302 0.000 2.136 334 E HA -0.295 4.055 4.350 -0.000 0.000 0.202 334 E C 1.185 177.599 176.600 -0.311 0.000 1.019 334 E CA 1.921 58.146 56.400 -0.291 0.000 0.819 334 E CB 0.259 29.795 29.700 -0.275 0.000 0.739 334 E HN 0.798 nan 8.360 nan 0.000 0.458 335 K N -0.081 119.924 120.400 -0.659 0.000 2.148 335 K HA -0.142 4.178 4.320 -0.000 0.000 0.204 335 K C 2.282 178.876 176.600 -0.010 0.000 1.050 335 K CA 0.858 56.960 56.287 -0.308 0.000 0.942 335 K CB -0.172 32.071 32.500 -0.429 0.000 0.724 335 K HN 0.101 nan 8.250 nan 0.000 0.446 336 L N 1.484 122.712 121.223 0.007 0.000 2.007 336 L HA -0.088 4.252 4.340 -0.000 0.000 0.205 336 L C 1.968 178.884 176.870 0.077 0.000 1.073 336 L CA 1.394 56.315 54.840 0.135 0.000 0.744 336 L CB -0.537 41.655 42.059 0.222 0.000 0.898 336 L HN 0.067 nan 8.230 nan 0.000 0.435 337 L N -1.539 119.713 121.223 0.049 0.000 2.089 337 L HA -0.290 4.050 4.340 -0.000 0.000 0.213 337 L C 2.394 179.305 176.870 0.068 0.000 1.079 337 L CA 1.908 56.748 54.840 -0.000 0.000 0.758 337 L CB -0.728 41.234 42.059 -0.162 0.000 0.891 337 L HN 0.570 nan 8.230 nan 0.000 0.433 338 W N 1.156 122.392 121.300 -0.107 0.000 2.381 338 W HA -0.225 4.435 4.660 -0.000 0.000 0.321 338 W C 2.946 179.446 176.519 -0.031 0.000 1.196 338 W CA 2.286 59.588 57.345 -0.072 0.000 1.304 338 W CB -0.883 28.521 29.460 -0.094 0.000 1.166 338 W HN 0.263 nan 8.180 nan 0.000 0.473 339 T N -2.033 112.444 114.554 -0.128 0.000 2.737 339 T HA -0.259 4.091 4.350 -0.000 0.000 0.269 339 T C 1.645 176.222 174.700 -0.205 0.000 1.040 339 T CA 2.418 64.320 62.100 -0.330 0.000 1.142 339 T CB -1.253 67.519 68.868 -0.159 0.000 0.861 339 T HN 0.172 nan 8.240 nan 0.000 0.456 340 T N 2.572 117.075 114.554 -0.085 0.000 2.737 340 T HA -0.117 4.233 4.350 -0.000 0.000 0.265 340 T C 2.537 177.215 174.700 -0.037 0.000 1.038 340 T CA 1.863 63.940 62.100 -0.038 0.000 1.144 340 T CB -0.740 68.141 68.868 0.020 0.000 0.866 340 T HN 0.773 nan 8.240 nan 0.000 0.434 341 S N 2.185 117.869 115.700 -0.027 0.000 2.383 341 S HA -0.161 4.309 4.470 -0.000 0.000 0.229 341 S C 2.040 176.622 174.600 -0.029 0.000 1.030 341 S CA 0.883 59.087 58.200 0.005 0.000 1.002 341 S CB -0.465 62.766 63.200 0.051 0.000 0.829 341 S HN 0.459 nan 8.310 nan 0.000 0.467 342 R N 0.487 120.901 120.500 -0.143 0.000 2.148 342 R HA 0.073 4.413 4.340 -0.000 0.000 0.227 342 R C 2.184 178.436 176.300 -0.080 0.000 1.103 342 R CA 1.196 57.202 56.100 -0.156 0.000 0.983 342 R CB -0.549 29.529 30.300 -0.370 0.000 0.874 342 R HN 0.390 nan 8.270 nan 0.000 0.451 343 V N 1.127 120.997 119.914 -0.074 0.000 2.453 343 V HA -0.161 3.959 4.120 -0.000 0.000 0.247 343 V C 2.193 178.286 176.094 -0.003 0.000 1.048 343 V CA 1.413 63.693 62.300 -0.033 0.000 1.049 343 V CB -0.314 31.489 31.823 -0.034 0.000 0.672 343 V HN 0.260 nan 8.190 nan 0.000 0.457 344 L N -0.017 121.210 121.223 0.007 0.000 2.109 344 L HA -0.128 4.212 4.340 -0.000 0.000 0.207 344 L C 2.589 179.481 176.870 0.037 0.000 1.086 344 L CA 1.590 56.445 54.840 0.026 0.000 0.760 344 L CB -0.585 41.497 42.059 0.040 0.000 0.910 344 L HN 0.315 nan 8.230 nan 0.000 0.437 345 K N 0.410 120.838 120.400 0.046 0.000 2.063 345 K HA -0.184 4.136 4.320 -0.000 0.000 0.208 345 K C 1.945 178.570 176.600 0.042 0.000 1.048 345 K CA 1.755 58.084 56.287 0.069 0.000 0.928 345 K CB -0.011 32.548 32.500 0.098 0.000 0.713 345 K HN 0.103 nan 8.250 nan 0.000 0.442 346 V N 1.738 121.672 119.914 0.033 0.000 2.307 346 V HA -0.214 3.906 4.120 -0.000 0.000 0.245 346 V C 2.297 178.391 176.094 -0.001 0.000 1.045 346 V CA 1.487 63.799 62.300 0.021 0.000 1.024 346 V CB -0.361 31.493 31.823 0.051 0.000 0.651 346 V HN 0.325 nan 8.190 nan 0.000 0.449 347 L N 1.174 122.401 121.223 0.007 0.000 2.456 347 L HA -0.102 4.238 4.340 -0.000 0.000 0.224 347 L C 2.439 179.312 176.870 0.005 0.000 1.148 347 L CA 1.374 56.216 54.840 0.003 0.000 0.825 347 L CB -0.616 41.448 42.059 0.009 0.000 0.937 347 L HN 0.546 nan 8.230 nan 0.000 0.450 348 S N -0.926 114.782 115.700 0.013 0.000 2.522 348 S HA -0.061 4.409 4.470 -0.000 0.000 0.227 348 S C 1.709 176.314 174.600 0.008 0.000 0.986 348 S CA 0.581 58.792 58.200 0.019 0.000 0.929 348 S CB -0.345 62.877 63.200 0.037 0.000 0.769 348 S HN 0.347 nan 8.310 nan 0.000 0.529 349 V N -0.910 119.000 119.914 -0.007 0.000 3.235 349 V HA 0.258 4.378 4.120 -0.000 0.000 0.259 349 V C 1.302 177.383 176.094 -0.022 0.000 1.133 349 V CA -0.205 62.083 62.300 -0.019 0.000 1.128 349 V CB -1.458 30.340 31.823 -0.042 0.000 0.757 349 V HN 0.652 nan 8.190 nan 0.000 0.469 350 C N 2.549 121.837 119.300 -0.020 0.000 2.585 350 C HA 0.495 4.955 4.460 -0.000 0.000 0.406 350 C C 1.006 175.990 174.990 -0.009 0.000 1.312 350 C CA 0.055 59.061 59.018 -0.019 0.000 1.924 350 C CB -0.529 27.201 27.740 -0.018 0.000 2.578 350 C HN 0.607 nan 8.230 nan 0.000 0.580 351 S N 5.006 120.700 115.700 -0.010 0.000 2.416 351 S HA 0.414 4.884 4.470 -0.000 0.000 0.302 351 S C 0.737 175.335 174.600 -0.003 0.000 1.120 351 S CA 0.162 58.359 58.200 -0.004 0.000 1.067 351 S CB 0.690 63.888 63.200 -0.005 0.000 1.057 351 S HN 1.033 nan 8.310 nan 0.000 0.518 352 S N 2.320 118.020 115.700 0.000 0.000 1.598 352 S HA -0.107 4.363 4.470 -0.000 0.000 0.245 352 S C 1.301 175.903 174.600 0.003 0.000 0.755 352 S CA -0.151 58.050 58.200 0.002 0.000 0.994 352 S CB -0.959 62.241 63.200 -0.000 0.000 1.015 352 S HN 0.586 nan 8.310 nan 0.000 0.508 353 N N 1.357 120.058 118.700 0.003 0.000 2.251 353 N HA 0.129 4.869 4.740 -0.000 0.000 0.181 353 N C 1.480 176.996 175.510 0.009 0.000 1.019 353 N CA 1.060 54.114 53.050 0.006 0.000 0.862 353 N CB -0.073 38.416 38.487 0.003 0.000 0.992 353 N HN 0.489 nan 8.380 nan 0.000 0.429 354 K N 0.780 121.186 120.400 0.009 0.000 2.015 354 K HA -0.166 4.154 4.320 -0.000 0.000 0.216 354 K C -0.723 175.884 176.600 0.012 0.000 1.052 354 K CA 1.809 58.103 56.287 0.013 0.000 0.937 354 K CB -1.189 31.319 32.500 0.013 0.000 0.719 354 K HN 0.200 nan 8.250 nan 0.000 0.446 355 P HA -0.227 nan 4.420 nan 0.000 0.216 355 P C 1.119 178.425 177.300 0.009 0.000 1.157 355 P CA 2.007 65.112 63.100 0.008 0.000 0.880 355 P CB -0.048 31.656 31.700 0.007 0.000 0.791 356 A N -0.927 121.899 122.820 0.010 0.000 1.933 356 A HA -0.182 4.138 4.320 -0.000 0.000 0.218 356 A C 2.188 179.780 177.584 0.014 0.000 1.175 356 A CA 1.563 53.607 52.037 0.011 0.000 0.628 356 A CB -1.590 17.417 19.000 0.012 0.000 0.814 356 A HN 0.145 nan 8.150 nan 0.000 0.444 357 I N -0.706 119.874 120.570 0.016 0.000 2.353 357 I HA -0.144 4.026 4.170 -0.000 0.000 0.248 357 I C 2.173 178.301 176.117 0.019 0.000 1.119 357 I CA 0.774 62.086 61.300 0.020 0.000 1.417 357 I CB -0.236 37.779 38.000 0.024 0.000 1.078 357 I HN 0.131 nan 8.210 nan 0.000 0.421 358 V N 0.295 120.218 119.914 0.015 0.000 2.407 358 V HA -0.169 3.951 4.120 -0.000 0.000 0.245 358 V C 2.469 178.568 176.094 0.008 0.000 1.041 358 V CA 1.485 63.792 62.300 0.012 0.000 1.040 358 V CB -0.517 31.312 31.823 0.010 0.000 0.671 358 V HN 0.370 nan 8.190 nan 0.000 0.455 359 E N 0.362 120.566 120.200 0.008 0.000 2.204 359 E HA -0.138 4.212 4.350 -0.000 0.000 0.194 359 E C 2.169 178.773 176.600 0.006 0.000 0.989 359 E CA 1.288 57.691 56.400 0.005 0.000 0.824 359 E CB -0.041 29.662 29.700 0.006 0.000 0.756 359 E HN 0.552 nan 8.360 nan 0.000 0.477 360 A N -0.240 122.586 122.820 0.010 0.000 2.208 360 A HA 0.185 4.505 4.320 -0.000 0.000 0.209 360 A C 1.445 179.035 177.584 0.010 0.000 1.161 360 A CA 1.104 53.148 52.037 0.012 0.000 0.782 360 A CB 0.002 19.012 19.000 0.017 0.000 0.816 360 A HN 0.276 nan 8.150 nan 0.000 0.477 361 G N -2.043 106.762 108.800 0.009 0.000 2.215 361 G HA2 -0.029 3.931 3.960 -0.000 0.000 0.198 361 G HA3 -0.029 3.931 3.960 -0.000 0.000 0.198 361 G C 0.956 175.863 174.900 0.012 0.000 1.047 361 G CA 0.360 45.463 45.100 0.006 0.000 0.747 361 G HN 1.099 nan 8.290 nan 0.000 0.495 362 G N -0.080 108.730 108.800 0.018 0.000 2.403 362 G HA2 0.036 3.996 3.960 -0.000 0.000 0.216 362 G HA3 0.036 3.996 3.960 -0.000 0.000 0.216 362 G C 1.882 176.798 174.900 0.026 0.000 1.154 362 G CA 1.522 46.639 45.100 0.027 0.000 0.784 362 G HN 0.416 nan 8.290 nan 0.000 0.538 363 M N 0.388 119.999 119.600 0.018 0.000 2.080 363 M HA -0.096 4.384 4.480 -0.000 0.000 0.260 363 M C 2.613 178.915 176.300 0.004 0.000 1.068 363 M CA 1.340 56.649 55.300 0.014 0.000 1.109 363 M CB -1.127 31.477 32.600 0.007 0.000 1.342 363 M HN 0.231 nan 8.290 nan 0.000 0.405 364 Q N -0.090 119.707 119.800 -0.004 0.000 2.167 364 Q HA 0.039 4.379 4.340 -0.000 0.000 0.202 364 Q C 2.146 178.130 176.000 -0.027 0.000 0.970 364 Q CA 1.729 57.521 55.803 -0.019 0.000 0.855 364 Q CB -0.466 28.259 28.738 -0.020 0.000 0.911 364 Q HN 0.589 nan 8.270 nan 0.000 0.438 365 A N -0.014 122.803 122.820 -0.005 0.000 2.016 365 A HA -0.003 4.317 4.320 -0.000 0.000 0.217 365 A C 1.883 179.486 177.584 0.031 0.000 1.162 365 A CA 0.670 52.710 52.037 0.004 0.000 0.662 365 A CB -0.286 18.738 19.000 0.041 0.000 0.812 365 A HN 0.303 nan 8.150 nan 0.000 0.450 366 L N -1.020 120.230 121.223 0.046 0.000 2.131 366 L HA 0.021 4.361 4.340 -0.000 0.000 0.206 366 L C 2.434 179.329 176.870 0.043 0.000 1.087 366 L CA 0.891 55.780 54.840 0.081 0.000 0.767 366 L CB -0.370 41.731 42.059 0.071 0.000 0.917 366 L HN 0.459 nan 8.230 nan 0.000 0.441 367 G N -0.635 108.162 108.800 -0.004 0.000 3.026 367 G HA2 -0.043 3.917 3.960 -0.000 0.000 0.208 367 G HA3 -0.043 3.917 3.960 -0.000 0.000 0.208 367 G C 1.357 176.209 174.900 -0.080 0.000 1.169 367 G CA -0.212 44.873 45.100 -0.025 0.000 0.788 367 G HN 0.181 nan 8.290 nan 0.000 0.533 368 L N -0.222 120.901 121.223 -0.167 0.000 2.375 368 L HA 0.185 4.525 4.340 -0.000 0.000 0.215 368 L C 0.845 177.423 176.870 -0.487 0.000 1.108 368 L CA 0.838 55.470 54.840 -0.347 0.000 0.830 368 L CB 0.002 41.776 42.059 -0.474 0.000 0.959 368 L HN 0.279 nan 8.230 nan 0.000 0.457 369 H N -0.552 118.524 119.070 0.010 0.000 2.510 369 H HA 0.196 4.752 4.556 -0.000 0.000 0.266 369 H C 1.625 176.951 175.328 -0.003 0.000 1.146 369 H CA -0.180 55.873 56.048 0.008 0.000 0.993 369 H CB 0.560 30.335 29.762 0.022 0.000 1.727 369 H HN 0.278 nan 8.280 nan 0.000 0.590 370 L N 0.655 121.905 121.223 0.044 0.000 2.376 370 L HA -0.055 4.285 4.340 -0.000 0.000 0.219 370 L C 1.852 178.726 176.870 0.006 0.000 1.133 370 L CA 1.536 56.387 54.840 0.018 0.000 0.816 370 L CB 0.026 42.082 42.059 -0.005 0.000 0.933 370 L HN 0.247 nan 8.230 nan 0.000 0.449 371 T N -6.079 108.482 114.554 0.012 0.000 3.044 371 T HA 0.135 4.485 4.350 -0.000 0.000 0.260 371 T C 0.449 175.157 174.700 0.014 0.000 1.019 371 T CA -0.583 61.519 62.100 0.003 0.000 0.921 371 T CB -0.052 68.813 68.868 -0.005 0.000 1.053 371 T HN -0.063 nan 8.240 nan 0.000 0.533 372 D N 3.246 123.671 120.400 0.042 0.000 2.419 372 D HA 0.169 4.809 4.640 -0.000 0.000 0.236 372 D C -1.296 175.006 176.300 0.004 0.000 1.165 372 D CA -1.732 52.294 54.000 0.045 0.000 0.882 372 D CB 0.788 41.642 40.800 0.090 0.000 1.201 372 D HN 0.044 nan 8.370 nan 0.000 0.443 373 P HA -0.127 nan 4.420 nan 0.000 0.215 373 P C 0.292 177.561 177.300 -0.053 0.000 1.163 373 P CA 1.015 64.096 63.100 -0.031 0.000 0.894 373 P CB 0.099 31.779 31.700 -0.033 0.000 0.791 374 S N -1.196 114.462 115.700 -0.069 0.000 2.558 374 S HA -0.065 4.405 4.470 -0.000 0.000 0.288 374 S C 1.166 175.715 174.600 -0.084 0.000 1.318 374 S CA -0.122 58.016 58.200 -0.103 0.000 1.056 374 S CB 0.318 63.438 63.200 -0.133 0.000 0.853 374 S HN -0.063 nan 8.310 nan 0.000 0.505 375 Q N 3.078 122.817 119.800 -0.101 0.000 2.304 375 Q HA 0.116 4.456 4.340 -0.000 0.000 0.204 375 Q C 2.303 178.249 176.000 -0.091 0.000 0.936 375 Q CA 1.333 57.081 55.803 -0.090 0.000 0.878 375 Q CB -0.167 28.519 28.738 -0.087 0.000 0.983 375 Q HN 0.888 nan 8.270 nan 0.000 0.516 376 R N -0.153 120.286 120.500 -0.102 0.000 2.127 376 R HA -0.126 4.214 4.340 -0.000 0.000 0.238 376 R C 1.877 178.228 176.300 0.085 0.000 1.134 376 R CA 1.477 57.559 56.100 -0.029 0.000 0.975 376 R CB -0.793 29.421 30.300 -0.144 0.000 0.865 376 R HN 0.207 nan 8.270 nan 0.000 0.447 377 L N 1.371 122.614 121.223 0.035 0.000 2.005 377 L HA -0.081 4.259 4.340 -0.000 0.000 0.207 377 L C 2.297 179.202 176.870 0.057 0.000 1.072 377 L CA 1.427 56.337 54.840 0.116 0.000 0.744 377 L CB -0.469 41.608 42.059 0.030 0.000 0.895 377 L HN 0.046 nan 8.230 nan 0.000 0.433 378 V N -0.253 119.659 119.914 -0.004 0.000 2.282 378 V HA -0.367 3.753 4.120 -0.000 0.000 0.249 378 V C 2.676 178.706 176.094 -0.107 0.000 1.057 378 V CA 2.059 64.339 62.300 -0.033 0.000 1.032 378 V CB -0.746 31.044 31.823 -0.055 0.000 0.645 378 V HN 0.597 nan 8.190 nan 0.000 0.447 379 Q N 0.670 120.350 119.800 -0.200 0.000 2.061 379 Q HA -0.223 4.117 4.340 -0.000 0.000 0.204 379 Q C 1.905 177.655 176.000 -0.416 0.000 0.984 379 Q CA 2.568 58.083 55.803 -0.481 0.000 0.846 379 Q CB -0.637 27.705 28.738 -0.661 0.000 0.902 379 Q HN 0.779 nan 8.270 nan 0.000 0.421 380 N N -1.468 117.192 118.700 -0.067 0.000 2.104 380 N HA -0.161 4.579 4.740 -0.000 0.000 0.190 380 N C 1.766 177.361 175.510 0.143 0.000 1.024 380 N CA 1.499 54.664 53.050 0.191 0.000 0.853 380 N CB -0.254 38.372 38.487 0.231 0.000 1.008 380 N HN 0.275 nan 8.380 nan 0.000 0.424 381 C N 0.425 119.772 119.300 0.078 0.000 2.413 381 C HA -0.047 4.413 4.460 -0.000 0.000 0.277 381 C C 2.512 177.538 174.990 0.060 0.000 1.265 381 C CA 0.431 59.497 59.018 0.081 0.000 1.752 381 C CB -1.184 26.606 27.740 0.082 0.000 1.998 381 C HN 0.446 nan 8.230 nan 0.000 0.489 382 L N -0.954 120.263 121.223 -0.010 0.000 2.023 382 L HA -0.116 4.224 4.340 -0.000 0.000 0.205 382 L C 2.749 179.669 176.870 0.083 0.000 1.073 382 L CA 1.478 56.300 54.840 -0.030 0.000 0.745 382 L CB -0.621 41.338 42.059 -0.166 0.000 0.900 382 L HN 0.473 nan 8.230 nan 0.000 0.435 383 W N 0.485 121.810 121.300 0.042 0.000 2.342 383 W HA -0.153 4.507 4.660 -0.000 0.000 0.297 383 W C 2.646 179.185 176.519 0.033 0.000 1.213 383 W CA 1.460 58.827 57.345 0.038 0.000 1.251 383 W CB -1.377 28.108 29.460 0.042 0.000 1.136 383 W HN 0.185 nan 8.180 nan 0.000 0.526 384 T N 1.045 115.760 114.554 0.269 0.000 2.737 384 T HA -0.130 4.220 4.350 -0.000 0.000 0.265 384 T C 2.130 176.900 174.700 0.117 0.000 1.038 384 T CA 1.172 63.369 62.100 0.161 0.000 1.144 384 T CB -0.667 68.278 68.868 0.128 0.000 0.866 384 T HN -0.007 nan 8.240 nan 0.000 0.434 385 L N 0.629 121.915 121.223 0.104 0.000 2.187 385 L HA -0.132 4.208 4.340 -0.000 0.000 0.213 385 L C 2.770 179.687 176.870 0.078 0.000 1.100 385 L CA 1.291 56.176 54.840 0.074 0.000 0.765 385 L CB -0.365 41.727 42.059 0.055 0.000 0.904 385 L HN 0.189 nan 8.230 nan 0.000 0.437 386 R N -0.029 120.536 120.500 0.108 0.000 2.075 386 R HA -0.099 4.241 4.340 -0.000 0.000 0.226 386 R C 2.092 178.446 176.300 0.089 0.000 1.114 386 R CA 1.183 57.347 56.100 0.107 0.000 0.972 386 R CB -0.018 30.374 30.300 0.153 0.000 0.869 386 R HN 0.350 nan 8.270 nan 0.000 0.437 387 N N 0.623 119.378 118.700 0.092 0.000 2.244 387 N HA -0.130 4.610 4.740 -0.000 0.000 0.183 387 N C 1.732 177.271 175.510 0.047 0.000 1.016 387 N CA 1.171 54.257 53.050 0.061 0.000 0.866 387 N CB -0.014 38.505 38.487 0.052 0.000 0.980 387 N HN 0.300 nan 8.380 nan 0.000 0.430 388 L N 1.060 122.313 121.223 0.050 0.000 2.179 388 L HA -0.057 4.283 4.340 -0.000 0.000 0.208 388 L C 2.491 179.382 176.870 0.034 0.000 1.096 388 L CA 0.540 55.402 54.840 0.038 0.000 0.779 388 L CB -0.591 41.490 42.059 0.037 0.000 0.922 388 L HN 0.157 nan 8.230 nan 0.000 0.443 389 S N 1.145 116.869 115.700 0.041 0.000 2.390 389 S HA -0.315 4.155 4.470 -0.000 0.000 0.234 389 S C 1.610 176.228 174.600 0.030 0.000 1.063 389 S CA 1.912 60.134 58.200 0.037 0.000 1.108 389 S CB -0.971 62.258 63.200 0.048 0.000 0.975 389 S HN 0.665 nan 8.310 nan 0.000 0.442 390 D N 2.253 122.673 120.400 0.033 0.000 2.351 390 D HA 0.094 4.734 4.640 -0.000 0.000 0.216 390 D C 1.333 177.642 176.300 0.016 0.000 0.968 390 D CA 1.063 55.078 54.000 0.026 0.000 0.899 390 D CB -0.448 40.370 40.800 0.030 0.000 0.907 390 D HN 0.696 nan 8.370 nan 0.000 0.514 391 A N -0.570 122.259 122.820 0.015 0.000 2.470 391 A HA 0.658 4.978 4.320 -0.000 0.000 0.251 391 A C 1.634 179.221 177.584 0.005 0.000 1.245 391 A CA 0.223 52.265 52.037 0.009 0.000 0.932 391 A CB 0.389 19.396 19.000 0.011 0.000 1.037 391 A HN 0.264 nan 8.150 nan 0.000 0.522 392 A N -0.252 122.571 122.820 0.004 0.000 2.538 392 A HA 0.309 4.629 4.320 -0.000 0.000 0.269 392 A C 1.755 179.332 177.584 -0.013 0.000 1.231 392 A CA 0.959 52.995 52.037 -0.002 0.000 0.948 392 A CB -0.904 18.098 19.000 0.003 0.000 1.110 392 A HN 0.558 nan 8.150 nan 0.000 0.529 393 T N -1.550 112.995 114.554 -0.015 0.000 2.929 393 T HA -0.069 4.281 4.350 -0.000 0.000 0.271 393 T C 0.840 175.516 174.700 -0.040 0.000 1.085 393 T CA 1.383 63.466 62.100 -0.028 0.000 1.125 393 T CB -0.404 68.445 68.868 -0.031 0.000 0.874 393 T HN 0.412 nan 8.240 nan 0.000 0.494 394 K N 1.070 121.451 120.400 -0.031 0.000 2.961 394 K HA 0.382 4.702 4.320 -0.000 0.000 0.187 394 K C -0.775 175.805 176.600 -0.032 0.000 1.110 394 K CA -0.386 55.880 56.287 -0.036 0.000 0.968 394 K CB 0.897 33.384 32.500 -0.023 0.000 1.287 394 K HN 0.074 nan 8.250 nan 0.000 0.578 395 Q N 2.202 121.979 119.800 -0.038 0.000 2.303 395 Q HA 0.162 4.502 4.340 -0.000 0.000 0.267 395 Q C -0.661 175.313 176.000 -0.043 0.000 1.011 395 Q CA -0.323 55.461 55.803 -0.032 0.000 0.740 395 Q CB 1.025 29.750 28.738 -0.022 0.000 1.250 395 Q HN 0.217 nan 8.270 nan 0.000 0.458 396 E N 1.011 121.186 120.200 -0.042 0.000 2.409 396 E HA 0.331 4.681 4.350 -0.000 0.000 0.257 396 E C 0.522 177.099 176.600 -0.039 0.000 1.150 396 E CA 0.763 57.135 56.400 -0.048 0.000 0.942 396 E CB 0.425 30.102 29.700 -0.038 0.000 0.979 396 E HN 0.863 nan 8.360 nan 0.000 0.447 397 G N 1.200 109.975 108.800 -0.042 0.000 2.176 397 G HA2 -0.246 3.714 3.960 -0.000 0.000 0.252 397 G HA3 -0.246 3.714 3.960 -0.000 0.000 0.252 397 G C 0.606 175.485 174.900 -0.034 0.000 1.024 397 G CA 0.406 45.486 45.100 -0.034 0.000 0.755 397 G HN 0.312 nan 8.290 nan 0.000 0.507 398 M N -0.674 118.902 119.600 -0.040 0.000 2.495 398 M HA 0.167 4.647 4.480 -0.000 0.000 0.237 398 M C 1.987 178.266 176.300 -0.035 0.000 1.131 398 M CA 0.638 55.917 55.300 -0.035 0.000 1.032 398 M CB -0.230 32.347 32.600 -0.038 0.000 1.513 398 M HN 0.249 nan 8.290 nan 0.000 0.488 399 E N 1.324 121.501 120.200 -0.038 0.000 2.045 399 E HA -0.171 4.179 4.350 -0.000 0.000 0.212 399 E C 2.088 178.671 176.600 -0.028 0.000 1.039 399 E CA 2.144 58.524 56.400 -0.034 0.000 0.860 399 E CB -1.042 28.640 29.700 -0.031 0.000 0.776 399 E HN 0.537 nan 8.360 nan 0.000 0.467 400 G N 0.764 109.548 108.800 -0.027 0.000 2.529 400 G HA2 -0.312 3.648 3.960 -0.000 0.000 0.219 400 G HA3 -0.312 3.648 3.960 -0.000 0.000 0.219 400 G C 1.556 176.441 174.900 -0.025 0.000 1.177 400 G CA 1.264 46.348 45.100 -0.026 0.000 0.773 400 G HN 0.251 nan 8.290 nan 0.000 0.573 401 L N 0.621 121.829 121.223 -0.025 0.000 2.013 401 L HA -0.048 4.292 4.340 -0.000 0.000 0.212 401 L C 2.803 179.664 176.870 -0.017 0.000 1.073 401 L CA 1.595 56.423 54.840 -0.020 0.000 0.753 401 L CB -0.559 41.490 42.059 -0.016 0.000 0.890 401 L HN 0.283 nan 8.230 nan 0.000 0.432 402 L N -0.808 120.404 121.223 -0.018 0.000 2.042 402 L HA -0.154 4.186 4.340 -0.000 0.000 0.210 402 L C 2.523 179.384 176.870 -0.015 0.000 1.076 402 L CA 1.335 56.166 54.840 -0.015 0.000 0.749 402 L CB -1.424 40.622 42.059 -0.020 0.000 0.893 402 L HN 0.486 nan 8.230 nan 0.000 0.432 403 G N -1.048 107.741 108.800 -0.017 0.000 2.443 403 G HA2 -0.191 3.769 3.960 -0.000 0.000 0.219 403 G HA3 -0.191 3.769 3.960 -0.000 0.000 0.219 403 G C 1.557 176.447 174.900 -0.016 0.000 1.131 403 G CA 1.210 46.301 45.100 -0.016 0.000 0.775 403 G HN 0.314 nan 8.290 nan 0.000 0.547 404 T N 1.409 115.952 114.554 -0.018 0.000 2.770 404 T HA 0.036 4.386 4.350 -0.000 0.000 0.258 404 T C 2.435 177.125 174.700 -0.016 0.000 1.039 404 T CA 0.644 62.733 62.100 -0.018 0.000 1.143 404 T CB -0.281 68.575 68.868 -0.021 0.000 0.866 404 T HN 0.139 nan 8.240 nan 0.000 0.428 405 L N 1.134 122.349 121.223 -0.013 0.000 2.051 405 L HA -0.164 4.176 4.340 -0.000 0.000 0.214 405 L C 2.664 179.527 176.870 -0.011 0.000 1.076 405 L CA 1.054 55.888 54.840 -0.010 0.000 0.758 405 L CB -1.020 41.037 42.059 -0.003 0.000 0.890 405 L HN 0.146 nan 8.230 nan 0.000 0.433 406 V N -0.330 119.577 119.914 -0.011 0.000 2.261 406 V HA -0.359 3.761 4.120 -0.000 0.000 0.246 406 V C 3.127 179.212 176.094 -0.016 0.000 1.047 406 V CA 2.470 64.762 62.300 -0.013 0.000 1.015 406 V CB -1.180 30.635 31.823 -0.014 0.000 0.642 406 V HN 0.632 nan 8.190 nan 0.000 0.446 407 Q N -0.556 119.234 119.800 -0.017 0.000 2.112 407 Q HA -0.199 4.141 4.340 -0.000 0.000 0.206 407 Q C 2.076 178.065 176.000 -0.019 0.000 0.987 407 Q CA 2.351 58.143 55.803 -0.018 0.000 0.858 407 Q CB -0.992 27.735 28.738 -0.018 0.000 0.905 407 Q HN 0.721 nan 8.270 nan 0.000 0.420 408 L N 0.130 121.341 121.223 -0.019 0.000 2.633 408 L HA 0.014 4.354 4.340 -0.000 0.000 0.235 408 L C 2.247 179.105 176.870 -0.021 0.000 1.163 408 L CA 0.200 55.026 54.840 -0.022 0.000 0.859 408 L CB -0.135 41.908 42.059 -0.025 0.000 0.973 408 L HN 0.391 nan 8.230 nan 0.000 0.451 409 L N -0.607 120.606 121.223 -0.017 0.000 2.376 409 L HA -0.037 4.303 4.340 -0.000 0.000 0.219 409 L C 2.091 178.951 176.870 -0.016 0.000 1.133 409 L CA 0.797 55.628 54.840 -0.015 0.000 0.816 409 L CB -0.467 41.584 42.059 -0.013 0.000 0.933 409 L HN 0.294 nan 8.230 nan 0.000 0.449 410 G N -1.140 107.649 108.800 -0.019 0.000 3.371 410 G HA2 -0.008 3.952 3.960 -0.000 0.000 0.248 410 G HA3 -0.008 3.952 3.960 -0.000 0.000 0.248 410 G C 0.594 175.482 174.900 -0.019 0.000 1.161 410 G CA -0.093 44.996 45.100 -0.019 0.000 0.796 410 G HN 0.169 nan 8.290 nan 0.000 0.539 411 S N 0.343 116.031 115.700 -0.021 0.000 2.589 411 S HA 0.082 4.552 4.470 -0.000 0.000 0.265 411 S C 1.563 176.150 174.600 -0.021 0.000 1.342 411 S CA 0.232 58.417 58.200 -0.024 0.000 1.005 411 S CB 0.775 63.956 63.200 -0.031 0.000 0.909 411 S HN 0.474 nan 8.310 nan 0.000 0.555 412 D N 0.661 121.047 120.400 -0.023 0.000 2.354 412 D HA -0.020 4.620 4.640 -0.000 0.000 0.209 412 D C -0.285 176.003 176.300 -0.020 0.000 1.015 412 D CA 0.043 54.032 54.000 -0.019 0.000 0.867 412 D CB -0.122 40.667 40.800 -0.019 0.000 0.933 412 D HN 0.364 nan 8.370 nan 0.000 0.520 413 D N 0.805 121.190 120.400 -0.026 0.000 2.339 413 D HA 0.097 4.737 4.640 -0.000 0.000 0.241 413 D C 1.437 177.724 176.300 -0.021 0.000 1.183 413 D CA -0.484 53.499 54.000 -0.028 0.000 0.859 413 D CB 1.338 42.109 40.800 -0.048 0.000 1.067 413 D HN -0.087 nan 8.370 nan 0.000 0.484 414 I N 3.370 123.935 120.570 -0.008 0.000 2.208 414 I HA -0.280 3.890 4.170 -0.000 0.000 0.245 414 I C 1.980 178.100 176.117 0.005 0.000 1.097 414 I CA 0.902 62.203 61.300 0.002 0.000 1.363 414 I CB -0.852 37.156 38.000 0.014 0.000 1.051 414 I HN 0.310 nan 8.210 nan 0.000 0.413 415 N N 0.526 119.228 118.700 0.003 0.000 2.309 415 N HA -0.076 4.664 4.740 -0.000 0.000 0.182 415 N C 1.980 177.463 175.510 -0.045 0.000 1.018 415 N CA 0.939 53.993 53.050 0.007 0.000 0.876 415 N CB -0.391 38.106 38.487 0.016 0.000 0.972 415 N HN 0.268 nan 8.380 nan 0.000 0.434 416 V N 0.212 120.085 119.914 -0.068 0.000 2.453 416 V HA -0.085 4.035 4.120 -0.000 0.000 0.247 416 V C 2.278 178.344 176.094 -0.045 0.000 1.048 416 V CA 0.821 63.069 62.300 -0.087 0.000 1.049 416 V CB -0.218 31.556 31.823 -0.081 0.000 0.672 416 V HN 0.046 nan 8.190 nan 0.000 0.457 417 V N 0.014 119.913 119.914 -0.025 0.000 2.358 417 V HA -0.241 3.879 4.120 -0.000 0.000 0.246 417 V C 2.581 178.678 176.094 0.005 0.000 1.047 417 V CA 2.609 64.903 62.300 -0.010 0.000 1.035 417 V CB -0.913 30.906 31.823 -0.005 0.000 0.658 417 V HN 0.606 nan 8.190 nan 0.000 0.452 418 T N -1.062 113.501 114.554 0.016 0.000 2.746 418 T HA -0.223 4.127 4.350 -0.000 0.000 0.267 418 T C 1.969 176.698 174.700 0.048 0.000 1.039 418 T CA 1.908 64.031 62.100 0.039 0.000 1.142 418 T CB -0.506 68.398 68.868 0.060 0.000 0.866 418 T HN 0.519 nan 8.240 nan 0.000 0.444 419 C N 1.655 120.979 119.300 0.040 0.000 2.453 419 C HA 0.137 4.597 4.460 -0.000 0.000 0.277 419 C C 3.275 178.286 174.990 0.034 0.000 1.262 419 C CA 0.294 59.343 59.018 0.052 0.000 1.718 419 C CB -1.427 26.313 27.740 0.001 0.000 2.031 419 C HN 0.657 nan 8.230 nan 0.000 0.480 420 A N 0.496 123.321 122.820 0.008 0.000 1.978 420 A HA 0.019 4.339 4.320 -0.000 0.000 0.220 420 A C 2.306 179.901 177.584 0.017 0.000 1.170 420 A CA 2.143 54.184 52.037 0.007 0.000 0.636 420 A CB -0.744 18.252 19.000 -0.007 0.000 0.810 420 A HN 0.596 nan 8.150 nan 0.000 0.448 421 A N -0.541 122.291 122.820 0.021 0.000 1.873 421 A HA 0.190 4.510 4.320 -0.000 0.000 0.215 421 A C 2.430 180.034 177.584 0.034 0.000 1.186 421 A CA 1.759 53.810 52.037 0.022 0.000 0.616 421 A CB -1.376 17.636 19.000 0.020 0.000 0.823 421 A HN 0.714 nan 8.150 nan 0.000 0.442 422 G N 0.131 108.958 108.800 0.046 0.000 2.422 422 G HA2 -0.188 3.772 3.960 -0.000 0.000 0.218 422 G HA3 -0.188 3.772 3.960 -0.000 0.000 0.218 422 G C 1.512 176.450 174.900 0.063 0.000 1.146 422 G CA 1.169 46.305 45.100 0.059 0.000 0.769 422 G HN 0.484 nan 8.290 nan 0.000 0.547 423 I N 0.249 120.852 120.570 0.056 0.000 2.179 423 I HA -0.115 4.055 4.170 -0.000 0.000 0.242 423 I C 2.680 178.827 176.117 0.049 0.000 1.088 423 I CA 0.660 61.991 61.300 0.052 0.000 1.357 423 I CB -0.270 37.755 38.000 0.042 0.000 1.051 423 I HN 0.103 nan 8.210 nan 0.000 0.409 424 L N -0.015 121.233 121.223 0.042 0.000 2.127 424 L HA -0.228 4.112 4.340 -0.000 0.000 0.211 424 L C 2.761 179.677 176.870 0.077 0.000 1.089 424 L CA 1.253 56.120 54.840 0.044 0.000 0.757 424 L CB -0.500 41.576 42.059 0.029 0.000 0.899 424 L HN 0.278 nan 8.230 nan 0.000 0.434 425 S N 0.114 115.863 115.700 0.082 0.000 2.348 425 S HA -0.174 4.296 4.470 -0.000 0.000 0.221 425 S C 1.869 176.604 174.600 0.226 0.000 1.033 425 S CA 1.628 59.906 58.200 0.130 0.000 1.010 425 S CB -0.133 63.112 63.200 0.075 0.000 0.891 425 S HN 0.448 nan 8.310 nan 0.000 0.442 426 N N 1.387 120.169 118.700 0.137 0.000 2.142 426 N HA 0.059 4.799 4.740 -0.000 0.000 0.186 426 N C 1.759 177.303 175.510 0.056 0.000 1.023 426 N CA 0.936 54.046 53.050 0.100 0.000 0.852 426 N CB -0.626 37.903 38.487 0.070 0.000 0.998 426 N HN 0.395 nan 8.380 nan 0.000 0.424 427 L N 1.155 122.408 121.223 0.050 0.000 2.450 427 L HA -0.087 4.253 4.340 -0.000 0.000 0.224 427 L C 1.279 178.156 176.870 0.011 0.000 1.149 427 L CA 1.071 55.922 54.840 0.020 0.000 0.816 427 L CB -0.637 41.431 42.059 0.015 0.000 0.932 427 L HN 0.303 nan 8.230 nan 0.000 0.449 428 T N -5.397 109.190 114.554 0.055 0.000 3.134 428 T HA 0.122 4.472 4.350 -0.000 0.000 0.260 428 T C 0.541 175.206 174.700 -0.058 0.000 1.027 428 T CA -0.421 61.709 62.100 0.051 0.000 0.913 428 T CB -0.626 68.335 68.868 0.155 0.000 1.046 428 T HN 0.088 nan 8.240 nan 0.000 0.553 429 C N 3.542 122.755 119.300 -0.146 0.000 2.555 429 C HA 0.354 4.814 4.460 -0.000 0.000 0.385 429 C C 0.951 175.844 174.990 -0.161 0.000 1.296 429 C CA -0.596 58.235 59.018 -0.312 0.000 1.757 429 C CB -1.490 26.109 27.740 -0.236 0.000 2.445 429 C HN 0.696 nan 8.230 nan 0.000 0.571 430 N N 2.008 120.622 118.700 -0.143 0.000 2.708 430 N HA -0.186 4.554 4.740 -0.000 0.000 0.251 430 N C -0.415 175.087 175.510 -0.014 0.000 1.123 430 N CA 0.955 53.977 53.050 -0.047 0.000 0.739 430 N CB -1.040 37.425 38.487 -0.038 0.000 1.113 430 N HN 0.819 nan 8.380 nan 0.000 0.561 431 N N 0.569 119.245 118.700 -0.040 0.000 2.564 431 N HA 0.094 4.834 4.740 -0.000 0.000 0.248 431 N C 1.071 176.527 175.510 -0.089 0.000 0.986 431 N CA -0.421 52.579 53.050 -0.084 0.000 0.921 431 N CB 0.447 38.862 38.487 -0.120 0.000 1.136 431 N HN 0.215 nan 8.380 nan 0.000 0.509 432 Y N 3.418 123.697 120.300 -0.034 0.000 2.333 432 Y HA 0.017 4.567 4.550 -0.000 0.000 0.290 432 Y C 1.549 177.383 175.900 -0.110 0.000 1.144 432 Y CA 1.164 59.229 58.100 -0.060 0.000 1.228 432 Y CB -0.015 38.450 38.460 0.008 0.000 0.985 432 Y HN 0.299 nan 8.280 nan 0.000 0.542 433 K N 0.350 120.316 120.400 -0.723 0.000 2.031 433 K HA -0.118 4.202 4.320 -0.000 0.000 0.205 433 K C 1.770 178.230 176.600 -0.234 0.000 1.049 433 K CA 1.433 57.428 56.287 -0.486 0.000 0.939 433 K CB -0.199 31.979 32.500 -0.536 0.000 0.717 433 K HN 0.278 nan 8.250 nan 0.000 0.438 434 N N 1.089 119.666 118.700 -0.205 0.000 2.120 434 N HA -0.132 4.608 4.740 -0.000 0.000 0.188 434 N C 1.424 176.872 175.510 -0.102 0.000 1.024 434 N CA 1.347 54.325 53.050 -0.120 0.000 0.852 434 N CB 0.015 38.448 38.487 -0.090 0.000 1.003 434 N HN 0.121 nan 8.380 nan 0.000 0.424 435 K N 0.066 120.389 120.400 -0.128 0.000 2.032 435 K HA -0.093 4.227 4.320 -0.000 0.000 0.209 435 K C 2.048 178.524 176.600 -0.206 0.000 1.048 435 K CA 1.201 57.397 56.287 -0.153 0.000 0.927 435 K CB -0.193 32.166 32.500 -0.234 0.000 0.712 435 K HN 0.203 nan 8.250 nan 0.000 0.441 436 M N 0.019 119.464 119.600 -0.258 0.000 2.117 436 M HA -0.191 4.289 4.480 -0.000 0.000 0.262 436 M C 2.377 178.640 176.300 -0.062 0.000 1.065 436 M CA 1.345 56.552 55.300 -0.156 0.000 1.114 436 M CB -0.100 32.458 32.600 -0.070 0.000 1.361 436 M HN 0.169 nan 8.290 nan 0.000 0.408 437 M N -0.036 119.526 119.600 -0.063 0.000 2.117 437 M HA -0.125 4.355 4.480 -0.000 0.000 0.262 437 M C 1.751 178.037 176.300 -0.023 0.000 1.065 437 M CA 1.698 56.976 55.300 -0.037 0.000 1.114 437 M CB -0.477 32.096 32.600 -0.045 0.000 1.361 437 M HN 0.049 nan 8.290 nan 0.000 0.408 438 V N -0.821 119.078 119.914 -0.026 0.000 2.407 438 V HA -0.325 3.795 4.120 -0.000 0.000 0.248 438 V C 2.427 178.525 176.094 0.007 0.000 1.055 438 V CA 1.899 64.195 62.300 -0.007 0.000 1.049 438 V CB -1.115 30.709 31.823 0.002 0.000 0.662 438 V HN 0.635 nan 8.190 nan 0.000 0.455 439 C N -1.010 118.298 119.300 0.013 0.000 2.450 439 C HA -0.116 4.344 4.460 -0.000 0.000 0.279 439 C C 2.802 177.814 174.990 0.038 0.000 1.335 439 C CA 0.662 59.706 59.018 0.044 0.000 1.749 439 C CB -0.771 27.015 27.740 0.075 0.000 1.963 439 C HN 0.546 nan 8.230 nan 0.000 0.501 440 Q N 1.129 120.942 119.800 0.022 0.000 2.061 440 Q HA -0.144 4.196 4.340 -0.000 0.000 0.204 440 Q C 2.093 178.101 176.000 0.015 0.000 0.984 440 Q CA 2.195 58.010 55.803 0.020 0.000 0.846 440 Q CB -0.155 28.588 28.738 0.009 0.000 0.902 440 Q HN 0.663 nan 8.270 nan 0.000 0.421 441 V N -3.695 116.223 119.914 0.005 0.000 3.623 441 V HA 0.405 4.525 4.120 -0.000 0.000 0.271 441 V C 0.884 176.974 176.094 -0.007 0.000 1.248 441 V CA 0.568 62.867 62.300 -0.001 0.000 1.156 441 V CB -0.443 31.375 31.823 -0.007 0.000 0.870 441 V HN 0.378 nan 8.190 nan 0.000 0.453 442 G N -0.253 108.546 108.800 -0.003 0.000 2.270 442 G HA2 -0.102 3.858 3.960 -0.000 0.000 0.224 442 G HA3 -0.102 3.858 3.960 -0.000 0.000 0.224 442 G C 0.694 175.572 174.900 -0.037 0.000 1.079 442 G CA 0.151 45.235 45.100 -0.026 0.000 0.807 442 G HN 0.997 nan 8.290 nan 0.000 0.492 443 G N 0.322 109.116 108.800 -0.010 0.000 2.404 443 G HA2 0.042 4.002 3.960 -0.000 0.000 0.214 443 G HA3 0.042 4.002 3.960 -0.000 0.000 0.214 443 G C 1.852 176.748 174.900 -0.007 0.000 1.189 443 G CA 1.324 46.421 45.100 -0.006 0.000 0.789 443 G HN 0.474 nan 8.290 nan 0.000 0.533 444 I N 1.398 121.979 120.570 0.019 0.000 2.074 444 I HA -0.276 3.893 4.170 -0.000 0.000 0.238 444 I C 2.512 178.624 176.117 -0.009 0.000 1.037 444 I CA 2.007 63.333 61.300 0.043 0.000 1.301 444 I CB -1.367 36.710 38.000 0.129 0.000 1.016 444 I HN 0.392 nan 8.210 nan 0.000 0.400 445 E N 0.758 120.876 120.200 -0.137 0.000 2.049 445 E HA -0.256 4.094 4.350 -0.000 0.000 0.198 445 E C 2.234 178.762 176.600 -0.120 0.000 1.007 445 E CA 1.883 58.115 56.400 -0.279 0.000 0.809 445 E CB -0.017 29.320 29.700 -0.606 0.000 0.749 445 E HN 0.489 nan 8.360 nan 0.000 0.450 446 A N 0.746 123.511 122.820 -0.092 0.000 1.933 446 A HA -0.130 4.190 4.320 -0.000 0.000 0.218 446 A C 2.214 179.782 177.584 -0.026 0.000 1.175 446 A CA 1.133 53.139 52.037 -0.051 0.000 0.628 446 A CB -0.520 18.456 19.000 -0.041 0.000 0.814 446 A HN 0.314 nan 8.150 nan 0.000 0.444 447 L N -0.770 120.443 121.223 -0.017 0.000 2.179 447 L HA -0.083 4.257 4.340 -0.000 0.000 0.208 447 L C 2.356 179.228 176.870 0.004 0.000 1.096 447 L CA 0.542 55.380 54.840 -0.003 0.000 0.779 447 L CB -0.269 41.791 42.059 0.002 0.000 0.922 447 L HN 0.222 nan 8.230 nan 0.000 0.443 448 V N -0.182 119.739 119.914 0.012 0.000 2.626 448 V HA -0.219 3.901 4.120 -0.000 0.000 0.252 448 V C 2.501 178.610 176.094 0.024 0.000 1.067 448 V CA 1.497 63.815 62.300 0.030 0.000 1.081 448 V CB -0.564 31.298 31.823 0.065 0.000 0.686 448 V HN 0.422 nan 8.190 nan 0.000 0.468 449 R N -0.174 120.332 120.500 0.009 0.000 2.240 449 R HA -0.072 4.268 4.340 -0.000 0.000 0.203 449 R C 2.029 178.329 176.300 -0.000 0.000 1.011 449 R CA 1.326 57.428 56.100 0.004 0.000 1.007 449 R CB -0.042 30.252 30.300 -0.010 0.000 0.911 449 R HN 0.583 nan 8.270 nan 0.000 0.468 450 T N -0.531 114.023 114.554 -0.001 0.000 2.937 450 T HA -0.011 4.339 4.350 -0.000 0.000 0.260 450 T C 1.803 176.505 174.700 0.002 0.000 1.051 450 T CA 0.879 62.978 62.100 -0.000 0.000 1.141 450 T CB -0.025 68.843 68.868 -0.000 0.000 0.879 450 T HN -0.030 nan 8.240 nan 0.000 0.459 451 V N 2.024 121.941 119.914 0.004 0.000 2.295 451 V HA -0.136 3.984 4.120 -0.000 0.000 0.246 451 V C 2.547 178.642 176.094 0.001 0.000 1.049 451 V CA 1.516 63.818 62.300 0.003 0.000 1.024 451 V CB -0.881 30.944 31.823 0.004 0.000 0.648 451 V HN 0.392 nan 8.190 nan 0.000 0.447 452 L N 0.213 121.438 121.223 0.004 0.000 2.012 452 L HA -0.205 4.135 4.340 -0.000 0.000 0.210 452 L C 2.757 179.625 176.870 -0.002 0.000 1.073 452 L CA 2.296 57.136 54.840 0.001 0.000 0.748 452 L CB -0.685 41.377 42.059 0.006 0.000 0.891 452 L HN 0.371 nan 8.230 nan 0.000 0.431 453 R N 0.580 121.079 120.500 -0.001 0.000 2.235 453 R HA -0.047 4.293 4.340 -0.000 0.000 0.213 453 R C 1.990 178.290 176.300 -0.000 0.000 1.059 453 R CA 1.021 57.120 56.100 -0.002 0.000 0.997 453 R CB -0.161 30.137 30.300 -0.003 0.000 0.884 453 R HN 0.279 nan 8.270 nan 0.000 0.462 454 A N 0.798 123.619 122.820 0.002 0.000 1.975 454 A HA 0.266 4.586 4.320 -0.000 0.000 0.215 454 A C 1.551 179.137 177.584 0.003 0.000 1.170 454 A CA 0.962 53.002 52.037 0.005 0.000 0.656 454 A CB -0.541 18.463 19.000 0.008 0.000 0.821 454 A HN 0.655 nan 8.150 nan 0.000 0.449 455 G N 0.652 109.450 108.800 -0.002 0.000 2.565 455 G HA2 -0.467 3.493 3.960 -0.000 0.000 0.295 455 G HA3 -0.467 3.493 3.960 -0.000 0.000 0.295 455 G C 0.495 175.391 174.900 -0.007 0.000 1.165 455 G CA 1.262 46.359 45.100 -0.006 0.000 0.977 455 G HN 1.000 nan 8.290 nan 0.000 0.546 456 D N 0.927 121.324 120.400 -0.005 0.000 2.340 456 D HA 0.143 4.783 4.640 -0.000 0.000 0.220 456 D C 1.290 177.596 176.300 0.010 0.000 1.039 456 D CA 0.234 54.231 54.000 -0.006 0.000 0.866 456 D CB -0.156 40.639 40.800 -0.009 0.000 0.913 456 D HN 0.623 nan 8.370 nan 0.000 0.523 457 R N 1.275 121.785 120.500 0.016 0.000 2.459 457 R HA 0.127 4.467 4.340 -0.000 0.000 0.301 457 R C 0.206 176.525 176.300 0.033 0.000 1.286 457 R CA 0.048 56.164 56.100 0.028 0.000 1.046 457 R CB 0.038 30.354 30.300 0.026 0.000 1.071 457 R HN 0.351 nan 8.270 nan 0.000 0.512 458 E N 0.904 121.132 120.200 0.046 0.000 2.478 458 E HA -0.169 4.181 4.350 -0.000 0.000 0.198 458 E C 0.913 177.546 176.600 0.055 0.000 1.046 458 E CA 0.334 56.767 56.400 0.055 0.000 0.870 458 E CB 0.152 29.905 29.700 0.088 0.000 0.818 458 E HN 0.495 nan 8.360 nan 0.000 0.527 459 D N 0.286 120.718 120.400 0.053 0.000 2.312 459 D HA -0.073 4.567 4.640 -0.000 0.000 0.211 459 D C 1.478 177.807 176.300 0.049 0.000 0.964 459 D CA 0.838 54.870 54.000 0.054 0.000 0.877 459 D CB 0.366 41.200 40.800 0.056 0.000 0.924 459 D HN 0.276 nan 8.370 nan 0.000 0.515 460 I N -0.692 119.902 120.570 0.040 0.000 3.971 460 I HA -0.069 4.101 4.170 -0.000 0.000 0.303 460 I C 2.430 178.561 176.117 0.023 0.000 1.233 460 I CA 0.501 61.820 61.300 0.032 0.000 1.346 460 I CB -0.152 37.864 38.000 0.026 0.000 1.273 460 I HN -0.127 nan 8.210 nan 0.000 0.448 461 T N -1.171 113.396 114.554 0.022 0.000 2.867 461 T HA -0.159 4.191 4.350 -0.000 0.000 0.268 461 T C 1.627 176.336 174.700 0.015 0.000 1.057 461 T CA 1.476 63.585 62.100 0.014 0.000 1.136 461 T CB -0.217 68.658 68.868 0.011 0.000 0.874 461 T HN 0.376 nan 8.240 nan 0.000 0.466 462 E N 2.068 122.284 120.200 0.027 0.000 2.015 462 E HA -0.071 4.279 4.350 -0.000 0.000 0.191 462 E C -0.276 176.332 176.600 0.013 0.000 0.991 462 E CA 1.146 57.564 56.400 0.030 0.000 0.802 462 E CB -0.518 29.212 29.700 0.050 0.000 0.759 462 E HN 0.438 nan 8.360 nan 0.000 0.447 463 P HA -0.154 nan 4.420 nan 0.000 0.216 463 P C 1.119 178.407 177.300 -0.019 0.000 1.153 463 P CA 1.903 65.009 63.100 0.009 0.000 0.848 463 P CB -0.075 31.644 31.700 0.032 0.000 0.787 464 A N 0.179 122.994 122.820 -0.007 0.000 1.933 464 A HA -0.133 4.187 4.320 -0.000 0.000 0.218 464 A C 2.388 179.952 177.584 -0.033 0.000 1.175 464 A CA 1.295 53.323 52.037 -0.014 0.000 0.628 464 A CB -1.357 17.642 19.000 -0.002 0.000 0.814 464 A HN 0.103 nan 8.150 nan 0.000 0.444 465 I N -0.734 119.817 120.570 -0.032 0.000 2.353 465 I HA -0.229 3.941 4.170 -0.000 0.000 0.248 465 I C 2.394 178.455 176.117 -0.093 0.000 1.119 465 I CA 0.918 62.195 61.300 -0.038 0.000 1.417 465 I CB -0.827 37.165 38.000 -0.014 0.000 1.078 465 I HN 0.363 nan 8.210 nan 0.000 0.421 466 C N 1.076 120.293 119.300 -0.139 0.000 2.429 466 C HA -0.119 4.341 4.460 -0.000 0.000 0.277 466 C C 3.200 177.829 174.990 -0.601 0.000 1.262 466 C CA 0.994 59.816 59.018 -0.326 0.000 1.733 466 C CB -1.144 26.440 27.740 -0.259 0.000 2.010 466 C HN 0.590 nan 8.230 nan 0.000 0.483 467 A N 0.071 122.699 122.820 -0.321 0.000 1.940 467 A HA -0.121 4.199 4.320 -0.000 0.000 0.219 467 A C 2.127 179.661 177.584 -0.084 0.000 1.176 467 A CA 1.470 53.400 52.037 -0.177 0.000 0.631 467 A CB -0.548 18.427 19.000 -0.041 0.000 0.814 467 A HN 0.634 nan 8.150 nan 0.000 0.446 468 L N -1.438 119.743 121.223 -0.069 0.000 2.072 468 L HA -0.119 4.221 4.340 -0.000 0.000 0.205 468 L C 2.776 179.652 176.870 0.009 0.000 1.079 468 L CA 1.447 56.284 54.840 -0.005 0.000 0.752 468 L CB -0.409 41.650 42.059 0.001 0.000 0.906 468 L HN 0.468 nan 8.230 nan 0.000 0.436 469 R N -0.350 120.123 120.500 -0.045 0.000 2.083 469 R HA -0.212 4.128 4.340 -0.000 0.000 0.237 469 R C 2.238 178.611 176.300 0.121 0.000 1.137 469 R CA 1.953 58.058 56.100 0.010 0.000 0.951 469 R CB -0.351 29.931 30.300 -0.030 0.000 0.851 469 R HN 0.489 nan 8.270 nan 0.000 0.434 470 H N -0.180 118.929 119.070 0.065 0.000 2.353 470 H HA -0.109 4.447 4.556 -0.000 0.000 0.300 470 H C 2.178 177.573 175.328 0.111 0.000 1.090 470 H CA 1.387 57.481 56.048 0.076 0.000 1.327 470 H CB -0.001 29.796 29.762 0.058 0.000 1.383 470 H HN 0.212 nan 8.280 nan 0.000 0.508 471 L N 0.445 121.806 121.223 0.230 0.000 2.141 471 L HA -0.093 4.247 4.340 -0.000 0.000 0.209 471 L C 1.995 179.034 176.870 0.280 0.000 1.094 471 L CA 1.334 56.317 54.840 0.237 0.000 0.763 471 L CB -0.458 41.700 42.059 0.164 0.000 0.908 471 L HN 0.385 nan 8.230 nan 0.000 0.437 472 T N -3.090 111.559 114.554 0.158 0.000 3.380 472 T HA 0.140 4.490 4.350 -0.000 0.000 0.250 472 T C 0.440 175.160 174.700 0.034 0.000 1.082 472 T CA 0.095 62.240 62.100 0.074 0.000 0.968 472 T CB -0.450 68.446 68.868 0.048 0.000 1.027 472 T HN 0.327 nan 8.240 nan 0.000 0.575 473 S N 0.346 116.096 115.700 0.084 0.000 2.547 473 S HA 0.542 5.012 4.470 -0.000 0.000 0.270 473 S C -0.542 174.118 174.600 0.101 0.000 1.150 473 S CA -1.167 57.063 58.200 0.051 0.000 0.850 473 S CB 1.513 64.756 63.200 0.072 0.000 1.118 473 S HN 0.221 nan 8.310 nan 0.000 0.461 474 R N 0.600 121.128 120.500 0.045 0.000 3.423 474 R HA -0.187 4.153 4.340 -0.000 0.000 0.271 474 R C -0.574 175.824 176.300 0.163 0.000 1.093 474 R CA 1.688 57.834 56.100 0.078 0.000 0.730 474 R CB -3.305 27.052 30.300 0.096 0.000 1.190 474 R HN 1.355 nan 8.270 nan 0.000 0.437 475 H N -4.322 114.766 119.070 0.030 0.000 3.140 475 H HA 0.248 4.803 4.556 -0.000 0.000 0.336 475 H C 0.735 176.068 175.328 0.008 0.000 1.142 475 H CA -0.277 55.788 56.048 0.029 0.000 1.308 475 H CB 0.499 30.320 29.762 0.100 0.000 1.970 475 H HN -0.056 nan 8.280 nan 0.000 0.521 476 Q N 0.388 120.250 119.800 0.104 0.000 2.208 476 Q HA -0.256 4.084 4.340 -0.000 0.000 0.219 476 Q C 0.372 176.373 176.000 0.002 0.000 1.027 476 Q CA 2.418 58.248 55.803 0.045 0.000 0.925 476 Q CB 0.013 28.793 28.738 0.071 0.000 1.006 476 Q HN 0.665 nan 8.270 nan 0.000 0.415 477 E N -1.629 118.627 120.200 0.093 0.000 2.423 477 E HA 0.184 4.534 4.350 -0.000 0.000 0.198 477 E C 0.748 177.170 176.600 -0.297 0.000 1.038 477 E CA 0.387 56.792 56.400 0.009 0.000 1.011 477 E CB 0.518 30.360 29.700 0.236 0.000 1.118 477 E HN 0.366 nan 8.360 nan 0.000 0.451 478 A N 1.620 123.997 122.820 -0.737 0.000 1.858 478 A HA -0.260 4.060 4.320 -0.000 0.000 0.216 478 A C 2.101 179.558 177.584 -0.212 0.000 1.190 478 A CA 1.850 53.539 52.037 -0.579 0.000 0.617 478 A CB -0.386 18.347 19.000 -0.444 0.000 0.827 478 A HN 0.331 nan 8.150 nan 0.000 0.443 479 E N -0.579 119.524 120.200 -0.162 0.000 2.187 479 E HA -0.271 4.079 4.350 -0.000 0.000 0.199 479 E C 1.910 178.467 176.600 -0.071 0.000 1.004 479 E CA 1.795 58.137 56.400 -0.096 0.000 0.813 479 E CB -0.477 29.175 29.700 -0.081 0.000 0.736 479 E HN 0.632 nan 8.360 nan 0.000 0.468 480 M N 0.349 119.914 119.600 -0.059 0.000 2.156 480 M HA 0.007 4.487 4.480 -0.000 0.000 0.264 480 M C 2.336 178.635 176.300 -0.001 0.000 1.067 480 M CA 1.595 56.883 55.300 -0.021 0.000 1.131 480 M CB -0.106 32.501 32.600 0.012 0.000 1.368 480 M HN 0.348 nan 8.290 nan 0.000 0.416 481 A N 0.180 123.013 122.820 0.021 0.000 1.902 481 A HA -0.221 4.099 4.320 -0.000 0.000 0.217 481 A C 1.828 179.424 177.584 0.021 0.000 1.181 481 A CA 1.600 53.672 52.037 0.059 0.000 0.623 481 A CB -0.799 18.274 19.000 0.121 0.000 0.818 481 A HN 0.678 nan 8.150 nan 0.000 0.443 482 Q N -0.547 119.246 119.800 -0.013 0.000 2.248 482 Q HA -0.196 4.144 4.340 -0.000 0.000 0.208 482 Q C 1.947 177.921 176.000 -0.043 0.000 0.984 482 Q CA 1.453 57.241 55.803 -0.025 0.000 0.875 482 Q CB -0.305 28.406 28.738 -0.044 0.000 0.910 482 Q HN 0.815 nan 8.270 nan 0.000 0.433 483 N N -0.147 118.521 118.700 -0.052 0.000 2.220 483 N HA -0.057 4.683 4.740 -0.000 0.000 0.182 483 N C 1.814 177.261 175.510 -0.105 0.000 1.023 483 N CA 0.682 53.682 53.050 -0.082 0.000 0.856 483 N CB 0.073 38.512 38.487 -0.081 0.000 0.997 483 N HN 0.176 nan 8.380 nan 0.000 0.429 484 A N 1.225 124.003 122.820 -0.071 0.000 1.892 484 A HA -0.147 4.173 4.320 -0.000 0.000 0.218 484 A C 2.352 179.912 177.584 -0.039 0.000 1.188 484 A CA 1.598 53.588 52.037 -0.079 0.000 0.631 484 A CB -1.069 17.985 19.000 0.089 0.000 0.822 484 A HN 0.181 nan 8.150 nan 0.000 0.447 485 V N 0.154 120.080 119.914 0.020 0.000 2.278 485 V HA -0.352 3.768 4.120 -0.000 0.000 0.251 485 V C 2.701 178.781 176.094 -0.023 0.000 1.062 485 V CA 2.662 64.982 62.300 0.033 0.000 1.038 485 V CB -0.881 30.954 31.823 0.020 0.000 0.646 485 V HN 0.708 nan 8.190 nan 0.000 0.447 486 R N -0.235 120.214 120.500 -0.086 0.000 2.062 486 R HA -0.044 4.296 4.340 -0.000 0.000 0.229 486 R C 2.255 178.385 176.300 -0.284 0.000 1.128 486 R CA 1.360 57.376 56.100 -0.140 0.000 0.960 486 R CB -0.248 29.975 30.300 -0.128 0.000 0.855 486 R HN 0.472 nan 8.270 nan 0.000 0.432 487 L N -0.119 120.899 121.223 -0.341 0.000 2.450 487 L HA -0.118 4.222 4.340 -0.000 0.000 0.224 487 L C 0.745 177.222 176.870 -0.655 0.000 1.149 487 L CA 1.062 55.588 54.840 -0.523 0.000 0.816 487 L CB -0.215 41.563 42.059 -0.469 0.000 0.932 487 L HN 0.341 nan 8.230 nan 0.000 0.449 488 H N -1.890 117.045 119.070 -0.224 0.000 2.524 488 H HA 0.137 4.693 4.556 -0.000 0.000 0.297 488 H C -0.613 174.788 175.328 0.121 0.000 1.115 488 H CA -0.667 55.375 56.048 -0.010 0.000 1.027 488 H CB 0.015 29.800 29.762 0.039 0.000 1.591 488 H HN 0.064 nan 8.280 nan 0.000 0.543 489 Y N -0.442 119.901 120.300 0.073 0.000 2.967 489 Y HA -0.286 4.264 4.550 -0.000 0.000 0.208 489 Y C 1.509 177.432 175.900 0.038 0.000 1.214 489 Y CA 0.563 58.688 58.100 0.041 0.000 0.915 489 Y CB -1.625 36.856 38.460 0.036 0.000 1.218 489 Y HN 0.565 nan 8.280 nan 0.000 0.472 490 G N -1.068 107.793 108.800 0.102 0.000 2.781 490 G HA2 0.115 4.075 3.960 -0.000 0.000 0.208 490 G HA3 0.115 4.075 3.960 -0.000 0.000 0.208 490 G C 1.308 176.232 174.900 0.039 0.000 1.099 490 G CA 0.225 45.371 45.100 0.076 0.000 0.776 490 G HN 0.440 nan 8.290 nan 0.000 0.532 491 L N 0.872 122.107 121.223 0.021 0.000 2.021 491 L HA -0.109 4.231 4.340 -0.000 0.000 0.215 491 L C 0.016 176.891 176.870 0.009 0.000 1.074 491 L CA 1.703 56.549 54.840 0.010 0.000 0.760 491 L CB -1.201 40.858 42.059 0.000 0.000 0.889 491 L HN 0.152 nan 8.230 nan 0.000 0.433 492 P HA -0.192 nan 4.420 nan 0.000 0.215 492 P C 1.928 179.212 177.300 -0.027 0.000 1.157 492 P CA 1.275 64.377 63.100 0.003 0.000 0.874 492 P CB 0.035 31.749 31.700 0.024 0.000 0.790 493 V N -0.570 119.336 119.914 -0.013 0.000 2.626 493 V HA -0.148 3.972 4.120 -0.000 0.000 0.252 493 V C 2.044 178.111 176.094 -0.045 0.000 1.067 493 V CA 1.534 63.815 62.300 -0.032 0.000 1.081 493 V CB -0.780 31.037 31.823 -0.010 0.000 0.686 493 V HN -0.107 nan 8.190 nan 0.000 0.468 494 V N -0.375 119.523 119.914 -0.026 0.000 2.427 494 V HA -0.161 3.959 4.120 -0.000 0.000 0.248 494 V C 2.425 178.495 176.094 -0.041 0.000 1.051 494 V CA 2.005 64.292 62.300 -0.021 0.000 1.048 494 V CB -0.258 31.565 31.823 -0.000 0.000 0.666 494 V HN 0.454 nan 8.190 nan 0.000 0.456 495 V N 0.178 120.056 119.914 -0.060 0.000 2.453 495 V HA -0.214 3.906 4.120 -0.000 0.000 0.247 495 V C 2.390 178.315 176.094 -0.282 0.000 1.048 495 V CA 2.107 64.358 62.300 -0.082 0.000 1.049 495 V CB -0.651 31.149 31.823 -0.038 0.000 0.672 495 V HN 0.586 nan 8.190 nan 0.000 0.457 496 K N 0.469 120.650 120.400 -0.366 0.000 2.063 496 K HA -0.167 4.153 4.320 -0.000 0.000 0.208 496 K C 2.013 178.378 176.600 -0.392 0.000 1.048 496 K CA 1.619 57.547 56.287 -0.598 0.000 0.928 496 K CB -0.339 31.983 32.500 -0.297 0.000 0.713 496 K HN 0.397 nan 8.250 nan 0.000 0.442 497 L N 1.124 122.237 121.223 -0.183 0.000 2.447 497 L HA -0.149 4.191 4.340 -0.000 0.000 0.225 497 L C 2.007 178.846 176.870 -0.051 0.000 1.148 497 L CA 0.591 55.377 54.840 -0.091 0.000 0.808 497 L CB -0.224 41.804 42.059 -0.051 0.000 0.928 497 L HN 0.275 nan 8.230 nan 0.000 0.448 498 L N -1.558 119.650 121.223 -0.025 0.000 2.313 498 L HA -0.070 4.270 4.340 -0.000 0.000 0.214 498 L C 0.833 177.825 176.870 0.203 0.000 1.119 498 L CA 0.093 54.993 54.840 0.100 0.000 0.809 498 L CB -0.448 41.719 42.059 0.180 0.000 0.933 498 L HN 0.309 nan 8.230 nan 0.000 0.449 499 H N -1.018 118.011 119.070 -0.067 0.000 2.509 499 H HA 0.313 4.869 4.556 -0.000 0.000 0.359 499 H C -2.013 173.248 175.328 -0.113 0.000 1.253 499 H CA -2.998 53.002 56.048 -0.079 0.000 1.373 499 H CB -0.564 29.168 29.762 -0.051 0.000 1.555 499 H HN -0.213 nan 8.280 nan 0.000 0.586 500 P HA -0.007 nan 4.420 nan 0.000 0.269 500 P C -1.672 175.590 177.300 -0.063 0.000 1.217 500 P CA -0.668 62.385 63.100 -0.078 0.000 0.783 500 P CB 0.262 31.918 31.700 -0.073 0.000 0.898 501 P HA 0.098 nan 4.420 nan 0.000 0.258 501 P C -0.559 176.549 177.300 -0.320 0.000 1.416 501 P CA 0.105 63.087 63.100 -0.196 0.000 0.927 501 P CB 0.225 31.829 31.700 -0.160 0.000 1.444 502 S N 1.102 116.664 115.700 -0.230 0.000 2.573 502 S HA 0.001 4.471 4.470 -0.000 0.000 0.297 502 S C 0.646 175.044 174.600 -0.336 0.000 1.280 502 S CA 0.181 58.249 58.200 -0.220 0.000 1.061 502 S CB -0.017 63.108 63.200 -0.124 0.000 0.812 502 S HN 0.295 nan 8.310 nan 0.000 0.500 503 H N 0.620 119.616 119.070 -0.123 0.000 2.437 503 H HA 0.125 4.681 4.556 -0.000 0.000 0.338 503 H C 0.752 175.984 175.328 -0.159 0.000 1.495 503 H CA -0.517 55.440 56.048 -0.153 0.000 1.453 503 H CB 0.276 30.028 29.762 -0.017 0.000 1.707 503 H HN 0.798 nan 8.280 nan 0.000 0.655 504 W N 0.214 121.638 121.300 0.206 0.000 2.388 504 W HA -0.052 4.608 4.660 -0.000 0.000 0.294 504 W C -0.651 175.928 176.519 0.100 0.000 1.212 504 W CA 0.419 57.838 57.345 0.123 0.000 1.271 504 W CB -1.223 28.301 29.460 0.108 0.000 1.126 504 W HN 0.590 nan 8.180 nan 0.000 0.535 505 P HA -0.195 nan 4.420 nan 0.000 0.218 505 P C 1.613 179.014 177.300 0.168 0.000 1.149 505 P CA 1.288 64.516 63.100 0.213 0.000 0.817 505 P CB -0.128 31.668 31.700 0.159 0.000 0.785 506 L N -1.036 120.277 121.223 0.151 0.000 2.068 506 L HA 0.007 4.347 4.340 -0.000 0.000 0.204 506 L C 2.152 179.078 176.870 0.093 0.000 1.076 506 L CA 1.512 56.410 54.840 0.097 0.000 0.753 506 L CB -1.123 40.975 42.059 0.066 0.000 0.910 506 L HN -0.169 nan 8.230 nan 0.000 0.439 507 I N -0.263 120.363 120.570 0.094 0.000 2.208 507 I HA -0.345 3.825 4.170 -0.000 0.000 0.245 507 I C 2.586 178.817 176.117 0.190 0.000 1.097 507 I CA 1.448 62.809 61.300 0.101 0.000 1.363 507 I CB -0.435 37.574 38.000 0.014 0.000 1.051 507 I HN 0.328 nan 8.210 nan 0.000 0.413 508 K N 1.026 121.580 120.400 0.256 0.000 2.020 508 K HA -0.243 4.077 4.320 -0.000 0.000 0.212 508 K C 2.200 178.880 176.600 0.133 0.000 1.050 508 K CA 1.890 58.302 56.287 0.209 0.000 0.929 508 K CB -0.197 32.416 32.500 0.189 0.000 0.714 508 K HN 0.331 nan 8.250 nan 0.000 0.443 509 A N 0.283 123.169 122.820 0.109 0.000 1.972 509 A HA -0.114 4.206 4.320 -0.000 0.000 0.219 509 A C 2.077 179.695 177.584 0.058 0.000 1.169 509 A CA 2.038 54.117 52.037 0.070 0.000 0.635 509 A CB -0.687 18.341 19.000 0.048 0.000 0.810 509 A HN 0.416 nan 8.150 nan 0.000 0.446 510 T N -0.590 114.003 114.554 0.066 0.000 2.951 510 T HA -0.047 4.303 4.350 -0.000 0.000 0.268 510 T C 1.784 176.522 174.700 0.064 0.000 1.073 510 T CA 1.357 63.488 62.100 0.052 0.000 1.134 510 T CB -0.176 68.718 68.868 0.043 0.000 0.884 510 T HN 0.179 nan 8.240 nan 0.000 0.479 511 V N 1.381 121.348 119.914 0.088 0.000 2.453 511 V HA 0.002 4.122 4.120 -0.000 0.000 0.247 511 V C 2.861 179.000 176.094 0.075 0.000 1.048 511 V CA 1.742 64.097 62.300 0.092 0.000 1.049 511 V CB -1.243 30.651 31.823 0.117 0.000 0.672 511 V HN 0.549 nan 8.190 nan 0.000 0.457 512 G N 0.148 108.992 108.800 0.073 0.000 2.418 512 G HA2 -0.252 3.708 3.960 -0.000 0.000 0.217 512 G HA3 -0.252 3.708 3.960 -0.000 0.000 0.217 512 G C 1.570 176.503 174.900 0.056 0.000 1.158 512 G CA 1.195 46.335 45.100 0.066 0.000 0.771 512 G HN 0.423 nan 8.290 nan 0.000 0.545 513 L N 0.937 122.188 121.223 0.047 0.000 1.994 513 L HA 0.075 4.415 4.340 -0.000 0.000 0.208 513 L C 2.708 179.601 176.870 0.038 0.000 1.071 513 L CA 1.380 56.242 54.840 0.036 0.000 0.745 513 L CB -0.602 41.472 42.059 0.025 0.000 0.892 513 L HN 0.277 nan 8.230 nan 0.000 0.431 514 I N -0.671 119.925 120.570 0.043 0.000 2.208 514 I HA -0.317 3.853 4.170 -0.000 0.000 0.245 514 I C 2.752 178.896 176.117 0.046 0.000 1.097 514 I CA 1.374 62.702 61.300 0.046 0.000 1.363 514 I CB -0.490 37.543 38.000 0.054 0.000 1.051 514 I HN 0.344 nan 8.210 nan 0.000 0.413 515 R N 1.174 121.703 120.500 0.047 0.000 2.083 515 R HA -0.196 4.144 4.340 -0.000 0.000 0.237 515 R C 2.113 178.431 176.300 0.031 0.000 1.137 515 R CA 1.963 58.086 56.100 0.039 0.000 0.951 515 R CB -0.216 30.110 30.300 0.043 0.000 0.851 515 R HN 0.419 nan 8.270 nan 0.000 0.434 516 N N 0.856 119.575 118.700 0.033 0.000 2.084 516 N HA -0.156 4.584 4.740 -0.000 0.000 0.190 516 N C 2.007 177.527 175.510 0.016 0.000 1.030 516 N CA 1.219 54.283 53.050 0.024 0.000 0.849 516 N CB -0.454 38.053 38.487 0.032 0.000 1.012 516 N HN 0.242 nan 8.380 nan 0.000 0.423 517 L N 0.956 122.192 121.223 0.021 0.000 2.042 517 L HA -0.124 4.216 4.340 -0.000 0.000 0.210 517 L C 2.301 179.185 176.870 0.023 0.000 1.076 517 L CA 1.223 56.070 54.840 0.013 0.000 0.749 517 L CB -0.629 41.440 42.059 0.017 0.000 0.893 517 L HN 0.123 nan 8.230 nan 0.000 0.432 518 A N -0.210 122.646 122.820 0.059 0.000 2.178 518 A HA -0.114 4.206 4.320 -0.000 0.000 0.218 518 A C 2.227 179.907 177.584 0.159 0.000 1.157 518 A CA 1.079 53.198 52.037 0.137 0.000 0.689 518 A CB -0.617 18.444 19.000 0.101 0.000 0.787 518 A HN 0.410 nan 8.150 nan 0.000 0.465 519 L N -1.199 120.056 121.223 0.054 0.000 2.201 519 L HA -0.089 4.251 4.340 -0.000 0.000 0.212 519 L C 1.354 178.209 176.870 -0.025 0.000 1.105 519 L CA 0.124 54.980 54.840 0.027 0.000 0.775 519 L CB -0.360 41.694 42.059 -0.009 0.000 0.913 519 L HN 0.507 nan 8.230 nan 0.000 0.440 520 C N 2.598 121.849 119.300 -0.082 0.000 2.416 520 C HA 0.186 4.646 4.460 -0.000 0.000 0.355 520 C C -0.252 174.492 174.990 -0.410 0.000 1.211 520 C CA -1.946 56.970 59.018 -0.169 0.000 1.699 520 C CB 0.194 27.858 27.740 -0.126 0.000 2.310 520 C HN 0.167 nan 8.230 nan 0.000 0.539 521 P HA -0.161 nan 4.420 nan 0.000 0.216 521 P C 1.149 178.111 177.300 -0.562 0.000 1.153 521 P CA 2.290 64.923 63.100 -0.778 0.000 0.858 521 P CB 0.006 31.548 31.700 -0.263 0.000 0.789 522 A N -1.059 121.588 122.820 -0.288 0.000 2.264 522 A HA -0.080 4.240 4.320 -0.000 0.000 0.207 522 A C 1.717 179.211 177.584 -0.151 0.000 1.196 522 A CA 0.988 52.923 52.037 -0.169 0.000 0.778 522 A CB -1.219 17.708 19.000 -0.122 0.000 0.779 522 A HN 0.143 nan 8.150 nan 0.000 0.483 523 N N -1.451 117.122 118.700 -0.212 0.000 2.227 523 N HA 0.125 4.865 4.740 -0.000 0.000 0.196 523 N C 1.095 176.620 175.510 0.025 0.000 1.142 523 N CA 0.220 53.215 53.050 -0.092 0.000 0.887 523 N CB -0.170 38.271 38.487 -0.076 0.000 1.022 523 N HN 0.724 nan 8.380 nan 0.000 0.500 524 H N -0.179 118.889 119.070 -0.003 0.000 2.293 524 H HA -0.019 4.537 4.556 -0.000 0.000 0.300 524 H C 1.853 177.193 175.328 0.020 0.000 1.082 524 H CA 1.383 57.437 56.048 0.010 0.000 1.308 524 H CB 0.266 30.036 29.762 0.014 0.000 1.375 524 H HN 0.204 nan 8.280 nan 0.000 0.495 525 A N 1.263 124.173 122.820 0.150 0.000 1.858 525 A HA -0.091 4.229 4.320 -0.000 0.000 0.216 525 A C -0.209 177.407 177.584 0.053 0.000 1.190 525 A CA 1.332 53.421 52.037 0.086 0.000 0.617 525 A CB -1.351 17.683 19.000 0.055 0.000 0.827 525 A HN 0.280 nan 8.150 nan 0.000 0.443 526 P HA -0.184 nan 4.420 nan 0.000 0.215 526 P C 1.473 178.792 177.300 0.031 0.000 1.163 526 P CA 1.097 64.209 63.100 0.019 0.000 0.894 526 P CB -0.181 31.516 31.700 -0.004 0.000 0.791 527 L N -1.410 119.840 121.223 0.046 0.000 2.131 527 L HA -0.172 4.168 4.340 -0.000 0.000 0.210 527 L C 2.821 179.723 176.870 0.054 0.000 1.092 527 L CA 1.374 56.244 54.840 0.051 0.000 0.759 527 L CB -0.560 41.539 42.059 0.067 0.000 0.903 527 L HN -0.060 nan 8.230 nan 0.000 0.435 528 R N 0.757 121.292 120.500 0.058 0.000 2.061 528 R HA -0.172 4.168 4.340 -0.000 0.000 0.230 528 R C 1.974 178.299 176.300 0.042 0.000 1.140 528 R CA 1.609 57.740 56.100 0.052 0.000 0.940 528 R CB -0.150 30.183 30.300 0.055 0.000 0.839 528 R HN 0.333 nan 8.270 nan 0.000 0.429 529 E N -0.081 120.139 120.200 0.033 0.000 2.455 529 E HA -0.176 4.174 4.350 -0.000 0.000 0.202 529 E C 1.548 178.166 176.600 0.031 0.000 1.045 529 E CA 0.499 56.914 56.400 0.025 0.000 0.872 529 E CB 0.186 29.895 29.700 0.015 0.000 0.792 529 E HN 0.327 nan 8.360 nan 0.000 0.542 530 Q N -0.880 118.942 119.800 0.037 0.000 2.356 530 Q HA 0.081 4.421 4.340 -0.000 0.000 0.205 530 Q C 0.914 176.951 176.000 0.061 0.000 0.901 530 Q CA 0.587 56.413 55.803 0.040 0.000 0.938 530 Q CB 1.397 30.153 28.738 0.030 0.000 1.081 530 Q HN 0.368 nan 8.270 nan 0.000 0.517 531 G N 0.520 109.359 108.800 0.065 0.000 2.165 531 G HA2 -0.284 3.676 3.960 -0.000 0.000 0.226 531 G HA3 -0.284 3.676 3.960 -0.000 0.000 0.226 531 G C 0.826 175.789 174.900 0.105 0.000 1.035 531 G CA 0.534 45.684 45.100 0.084 0.000 0.744 531 G HN 0.427 nan 8.290 nan 0.000 0.501 532 A N -0.234 122.638 122.820 0.087 0.000 1.872 532 A HA 0.318 4.638 4.320 -0.000 0.000 0.214 532 A C 2.393 180.027 177.584 0.083 0.000 1.187 532 A CA 1.700 53.792 52.037 0.092 0.000 0.614 532 A CB -0.287 18.757 19.000 0.073 0.000 0.826 532 A HN 0.766 nan 8.150 nan 0.000 0.442 533 I N 0.709 121.320 120.570 0.068 0.000 2.069 533 I HA -0.218 3.952 4.170 -0.000 0.000 0.237 533 I C -0.318 175.835 176.117 0.060 0.000 1.053 533 I CA 1.997 63.336 61.300 0.064 0.000 1.311 533 I CB -1.499 36.535 38.000 0.056 0.000 1.030 533 I HN 0.246 nan 8.210 nan 0.000 0.398 534 P HA -0.217 nan 4.420 nan 0.000 0.216 534 P C 1.460 178.770 177.300 0.015 0.000 1.150 534 P CA 1.714 64.829 63.100 0.025 0.000 0.843 534 P CB -0.178 31.529 31.700 0.011 0.000 0.787 535 R N 0.089 120.602 120.500 0.022 0.000 2.115 535 R HA 0.052 4.392 4.340 -0.000 0.000 0.226 535 R C 2.462 178.795 176.300 0.056 0.000 1.100 535 R CA 0.998 57.102 56.100 0.006 0.000 0.980 535 R CB -1.592 28.727 30.300 0.031 0.000 0.875 535 R HN 0.157 nan 8.270 nan 0.000 0.445 536 L N -0.564 120.707 121.223 0.080 0.000 2.056 536 L HA -0.129 4.211 4.340 -0.000 0.000 0.207 536 L C 2.161 179.090 176.870 0.098 0.000 1.078 536 L CA 1.036 55.936 54.840 0.099 0.000 0.749 536 L CB -0.414 41.706 42.059 0.101 0.000 0.901 536 L HN 0.021 nan 8.230 nan 0.000 0.433 537 V N -0.843 119.117 119.914 0.077 0.000 2.295 537 V HA -0.273 3.847 4.120 -0.000 0.000 0.246 537 V C 2.531 178.650 176.094 0.042 0.000 1.049 537 V CA 1.471 63.806 62.300 0.057 0.000 1.024 537 V CB -0.512 31.328 31.823 0.029 0.000 0.648 537 V HN 0.450 nan 8.190 nan 0.000 0.447 538 Q N -0.374 119.447 119.800 0.035 0.000 2.170 538 Q HA -0.070 4.270 4.340 -0.000 0.000 0.203 538 Q C 2.187 178.234 176.000 0.078 0.000 0.976 538 Q CA 1.469 57.292 55.803 0.034 0.000 0.858 538 Q CB -0.361 28.379 28.738 0.003 0.000 0.907 538 Q HN 0.571 nan 8.270 nan 0.000 0.433 539 L N -0.044 121.245 121.223 0.110 0.000 2.217 539 L HA -0.135 4.205 4.340 -0.000 0.000 0.211 539 L C 2.200 179.189 176.870 0.200 0.000 1.107 539 L CA 0.224 55.186 54.840 0.203 0.000 0.783 539 L CB -0.390 41.808 42.059 0.231 0.000 0.919 539 L HN 0.209 nan 8.230 nan 0.000 0.442 540 L N -0.304 121.000 121.223 0.136 0.000 2.005 540 L HA -0.128 4.212 4.340 -0.000 0.000 0.207 540 L C 2.380 179.312 176.870 0.103 0.000 1.072 540 L CA 1.721 56.628 54.840 0.112 0.000 0.744 540 L CB -0.568 41.545 42.059 0.091 0.000 0.895 540 L HN -0.106 nan 8.230 nan 0.000 0.433 541 V N 0.386 120.347 119.914 0.078 0.000 2.219 541 V HA -0.351 3.769 4.120 -0.000 0.000 0.248 541 V C 2.816 178.976 176.094 0.109 0.000 1.053 541 V CA 2.292 64.640 62.300 0.080 0.000 1.009 541 V CB -0.932 30.917 31.823 0.044 0.000 0.636 541 V HN 0.579 nan 8.190 nan 0.000 0.445 542 R N 1.043 121.613 120.500 0.116 0.000 2.119 542 R HA -0.208 4.132 4.340 -0.000 0.000 0.246 542 R C 2.075 178.441 176.300 0.110 0.000 1.146 542 R CA 2.220 58.400 56.100 0.133 0.000 0.962 542 R CB -1.102 29.323 30.300 0.209 0.000 0.863 542 R HN 0.509 nan 8.270 nan 0.000 0.442 543 A N -0.939 121.945 122.820 0.106 0.000 1.898 543 A HA -0.167 4.153 4.320 -0.000 0.000 0.216 543 A C 2.150 179.763 177.584 0.048 0.000 1.181 543 A CA 1.745 53.788 52.037 0.011 0.000 0.620 543 A CB -0.901 18.092 19.000 -0.013 0.000 0.819 543 A HN 0.633 nan 8.150 nan 0.000 0.442 544 H N 0.118 119.184 119.070 -0.007 0.000 2.353 544 H HA -0.087 4.469 4.556 -0.000 0.000 0.300 544 H C 2.076 177.398 175.328 -0.010 0.000 1.090 544 H CA 2.170 58.214 56.048 -0.008 0.000 1.327 544 H CB -0.228 29.533 29.762 -0.001 0.000 1.383 544 H HN 0.600 nan 8.280 nan 0.000 0.508 545 Q N -0.436 119.316 119.800 -0.079 0.000 2.167 545 Q HA -0.122 4.218 4.340 -0.000 0.000 0.202 545 Q C 1.687 177.625 176.000 -0.104 0.000 0.970 545 Q CA 1.217 56.941 55.803 -0.132 0.000 0.855 545 Q CB 0.108 28.823 28.738 -0.039 0.000 0.911 545 Q HN 0.479 nan 8.270 nan 0.000 0.438 546 D N 0.147 120.511 120.400 -0.061 0.000 2.117 546 D HA -0.103 4.537 4.640 -0.000 0.000 0.197 546 D C 1.409 177.670 176.300 -0.065 0.000 0.987 546 D CA 1.291 55.260 54.000 -0.051 0.000 0.829 546 D CB 0.023 40.785 40.800 -0.062 0.000 0.961 546 D HN 0.162 nan 8.370 nan 0.000 0.460 547 T N -0.219 114.285 114.554 -0.084 0.000 3.113 547 T HA -0.035 4.315 4.350 -0.000 0.000 0.256 547 T C 1.546 176.188 174.700 -0.096 0.000 1.131 547 T CA 0.221 62.279 62.100 -0.069 0.000 1.074 547 T CB 0.325 69.169 68.868 -0.041 0.000 0.944 547 T HN -0.012 nan 8.240 nan 0.000 0.516 548 Q N 1.536 121.243 119.800 -0.154 0.000 2.008 548 Q HA 0.130 4.470 4.340 -0.000 0.000 0.196 548 Q C 1.307 177.254 176.000 -0.089 0.000 0.973 548 Q CA 1.242 56.947 55.803 -0.164 0.000 0.826 548 Q CB 0.134 28.734 28.738 -0.230 0.000 0.894 548 Q HN 0.363 nan 8.270 nan 0.000 0.439 561 V N 1.797 121.812 119.914 0.167 0.000 2.421 561 V HA 0.425 4.545 4.120 -0.000 0.000 0.271 561 V C 0.852 177.046 176.094 0.167 0.000 1.031 561 V CA 0.296 62.666 62.300 0.117 0.000 1.032 561 V CB -0.194 31.653 31.823 0.040 0.000 1.009 561 V HN 0.862 nan 8.190 nan 0.000 0.477 562 E N 3.824 124.135 120.200 0.186 0.000 2.513 562 E HA -0.237 4.113 4.350 -0.000 0.000 0.257 562 E C 1.043 177.759 176.600 0.194 0.000 1.098 562 E CA 0.788 57.299 56.400 0.184 0.000 0.752 562 E CB -1.794 28.073 29.700 0.278 0.000 1.324 562 E HN 2.409 nan 8.360 nan 0.000 0.403 563 G N -0.902 108.046 108.800 0.246 0.000 2.179 563 G HA2 -0.331 3.629 3.960 -0.000 0.000 0.257 563 G HA3 -0.331 3.629 3.960 -0.000 0.000 0.257 563 G C 0.198 175.307 174.900 0.348 0.000 1.010 563 G CA 0.452 45.764 45.100 0.353 0.000 0.736 563 G HN 0.446 nan 8.290 nan 0.000 0.513 564 V N 1.261 121.317 119.914 0.236 0.000 2.447 564 V HA 0.420 4.540 4.120 -0.000 0.000 0.292 564 V C 0.646 176.601 176.094 -0.232 0.000 1.021 564 V CA -0.981 61.305 62.300 -0.023 0.000 0.850 564 V CB 1.404 33.246 31.823 0.031 0.000 1.005 564 V HN 0.582 nan 8.190 nan 0.000 0.426 565 R N 5.079 125.263 120.500 -0.527 0.000 2.442 565 R HA 0.323 4.663 4.340 -0.000 0.000 0.291 565 R C 0.775 176.863 176.300 -0.354 0.000 1.069 565 R CA -0.551 55.227 56.100 -0.537 0.000 1.022 565 R CB 0.448 30.310 30.300 -0.730 0.000 0.976 565 R HN 0.474 nan 8.270 nan 0.000 0.443 566 M N 1.868 121.275 119.600 -0.322 0.000 2.629 566 M HA -0.105 4.375 4.480 -0.000 0.000 0.257 566 M C 0.746 176.927 176.300 -0.198 0.000 1.071 566 M CA 1.458 56.556 55.300 -0.337 0.000 1.077 566 M CB -0.807 31.610 32.600 -0.304 0.000 1.423 566 M HN 0.715 nan 8.290 nan 0.000 0.508 567 E N 0.228 120.333 120.200 -0.158 0.000 2.358 567 E HA -0.094 4.256 4.350 -0.000 0.000 0.195 567 E C 1.737 178.292 176.600 -0.074 0.000 1.010 567 E CA 0.538 56.887 56.400 -0.084 0.000 0.856 567 E CB 0.110 29.767 29.700 -0.072 0.000 0.795 567 E HN 0.574 nan 8.360 nan 0.000 0.504 568 E N 0.350 120.483 120.200 -0.111 0.000 2.112 568 E HA -0.112 4.238 4.350 -0.000 0.000 0.190 568 E C 1.800 178.382 176.600 -0.031 0.000 0.979 568 E CA 0.520 56.879 56.400 -0.069 0.000 0.814 568 E CB 0.121 29.769 29.700 -0.086 0.000 0.762 568 E HN 0.217 nan 8.360 nan 0.000 0.460 569 I N 1.036 121.568 120.570 -0.064 0.000 2.202 569 I HA -0.192 3.978 4.170 -0.000 0.000 0.242 569 I C 2.502 178.638 176.117 0.033 0.000 1.091 569 I CA 0.940 62.238 61.300 -0.002 0.000 1.368 569 I CB -1.154 36.794 38.000 -0.087 0.000 1.058 569 I HN -0.018 nan 8.210 nan 0.000 0.410 570 V N 0.964 120.883 119.914 0.008 0.000 2.324 570 V HA -0.298 3.822 4.120 -0.000 0.000 0.250 570 V C 2.570 178.695 176.094 0.051 0.000 1.060 570 V CA 2.106 64.433 62.300 0.045 0.000 1.042 570 V CB -0.757 31.095 31.823 0.047 0.000 0.650 570 V HN 0.469 nan 8.190 nan 0.000 0.450 571 E N -0.066 120.153 120.200 0.032 0.000 2.150 571 E HA -0.124 4.226 4.350 -0.000 0.000 0.193 571 E C 2.239 178.869 176.600 0.050 0.000 0.985 571 E CA 1.069 57.490 56.400 0.035 0.000 0.814 571 E CB -0.265 29.447 29.700 0.021 0.000 0.752 571 E HN 0.613 nan 8.360 nan 0.000 0.466 572 G N 0.570 109.404 108.800 0.056 0.000 2.424 572 G HA2 -0.260 3.700 3.960 -0.000 0.000 0.214 572 G HA3 -0.260 3.700 3.960 -0.000 0.000 0.214 572 G C 1.725 176.675 174.900 0.084 0.000 1.202 572 G CA 0.862 46.004 45.100 0.071 0.000 0.793 572 G HN 0.372 nan 8.290 nan 0.000 0.534 573 C N 0.633 119.994 119.300 0.101 0.000 2.388 573 C HA -0.071 4.389 4.460 -0.000 0.000 0.277 573 C C 3.236 178.295 174.990 0.115 0.000 1.210 573 C CA 1.632 60.719 59.018 0.116 0.000 1.743 573 C CB -1.290 26.530 27.740 0.134 0.000 2.047 573 C HN 0.457 nan 8.230 nan 0.000 0.458 574 T N 0.669 115.298 114.554 0.124 0.000 2.624 574 T HA -0.144 4.206 4.350 -0.000 0.000 0.268 574 T C 1.967 176.691 174.700 0.041 0.000 1.041 574 T CA 2.127 64.287 62.100 0.101 0.000 1.159 574 T CB -0.937 67.981 68.868 0.084 0.000 0.863 574 T HN 0.727 nan 8.240 nan 0.000 0.434 575 G N 0.956 109.794 108.800 0.062 0.000 2.440 575 G HA2 -0.093 3.867 3.960 -0.000 0.000 0.218 575 G HA3 -0.093 3.867 3.960 -0.000 0.000 0.218 575 G C 1.813 176.754 174.900 0.069 0.000 1.154 575 G CA 1.047 46.201 45.100 0.089 0.000 0.767 575 G HN 0.624 nan 8.290 nan 0.000 0.552 576 A N 0.339 123.195 122.820 0.059 0.000 1.930 576 A HA 0.164 4.484 4.320 -0.000 0.000 0.217 576 A C 2.445 180.046 177.584 0.030 0.000 1.175 576 A CA 1.180 53.244 52.037 0.044 0.000 0.627 576 A CB -0.324 18.713 19.000 0.062 0.000 0.815 576 A HN 0.359 nan 8.150 nan 0.000 0.443 577 L N -1.537 119.714 121.223 0.046 0.000 2.005 577 L HA -0.210 4.130 4.340 -0.000 0.000 0.207 577 L C 2.603 179.467 176.870 -0.009 0.000 1.072 577 L CA 1.778 56.636 54.840 0.029 0.000 0.744 577 L CB -0.922 41.181 42.059 0.074 0.000 0.895 577 L HN 0.680 nan 8.230 nan 0.000 0.433 578 H N 0.556 119.532 119.070 -0.157 0.000 2.330 578 H HA -0.256 4.300 4.556 -0.000 0.000 0.290 578 H C 2.259 177.501 175.328 -0.143 0.000 1.111 578 H CA 2.138 58.065 56.048 -0.202 0.000 1.226 578 H CB 0.177 29.829 29.762 -0.184 0.000 1.355 578 H HN 0.232 nan 8.280 nan 0.000 0.485 579 I N 0.715 121.164 120.570 -0.201 0.000 2.286 579 I HA -0.237 3.933 4.170 -0.000 0.000 0.245 579 I C 2.662 178.651 176.117 -0.213 0.000 1.104 579 I CA 0.784 61.935 61.300 -0.249 0.000 1.397 579 I CB -0.664 37.249 38.000 -0.145 0.000 1.072 579 I HN 0.368 nan 8.210 nan 0.000 0.417 580 L N 1.040 122.163 121.223 -0.166 0.000 2.201 580 L HA -0.099 4.241 4.340 -0.000 0.000 0.212 580 L C 2.420 179.134 176.870 -0.260 0.000 1.105 580 L CA 0.779 55.473 54.840 -0.244 0.000 0.775 580 L CB -0.524 41.481 42.059 -0.090 0.000 0.913 580 L HN 0.179 nan 8.230 nan 0.000 0.440 581 A N -0.239 122.488 122.820 -0.155 0.000 2.247 581 A HA -0.074 4.246 4.320 -0.000 0.000 0.205 581 A C 2.051 179.556 177.584 -0.131 0.000 1.261 581 A CA 0.542 52.510 52.037 -0.115 0.000 0.853 581 A CB -0.580 18.373 19.000 -0.078 0.000 0.793 581 A HN 0.356 nan 8.150 nan 0.000 0.487 582 R N -0.429 119.942 120.500 -0.214 0.000 2.246 582 R HA 0.014 4.354 4.340 -0.000 0.000 0.199 582 R C -0.193 176.031 176.300 -0.127 0.000 0.984 582 R CA 0.348 56.356 56.100 -0.153 0.000 1.015 582 R CB 0.134 30.349 30.300 -0.141 0.000 0.930 582 R HN 0.450 nan 8.270 nan 0.000 0.475 583 D N 0.212 120.500 120.400 -0.185 0.000 2.198 583 D HA -0.003 4.637 4.640 -0.000 0.000 0.245 583 D C 1.001 177.245 176.300 -0.094 0.000 1.079 583 D CA -0.214 53.735 54.000 -0.085 0.000 0.854 583 D CB 2.075 42.848 40.800 -0.046 0.000 1.148 583 D HN -0.237 nan 8.370 nan 0.000 0.456 584 V N 5.613 125.440 119.914 -0.145 0.000 2.332 584 V HA -0.244 3.876 4.120 -0.000 0.000 0.248 584 V C 1.707 177.674 176.094 -0.210 0.000 1.055 584 V CA 1.850 64.024 62.300 -0.210 0.000 1.038 584 V CB -0.595 31.042 31.823 -0.310 0.000 0.651 584 V HN 0.635 nan 8.190 nan 0.000 0.450 585 H N 0.057 119.126 119.070 -0.001 0.000 2.423 585 H HA -0.043 4.513 4.556 -0.000 0.000 0.297 585 H C 2.273 177.600 175.328 -0.001 0.000 1.075 585 H CA 1.664 57.714 56.048 0.003 0.000 1.342 585 H CB -0.388 29.381 29.762 0.011 0.000 1.395 585 H HN 0.456 nan 8.280 nan 0.000 0.530 586 N N 1.014 119.762 118.700 0.080 0.000 2.142 586 N HA -0.085 4.655 4.740 -0.000 0.000 0.186 586 N C 2.037 177.559 175.510 0.019 0.000 1.023 586 N CA 0.578 53.649 53.050 0.035 0.000 0.852 586 N CB -0.196 38.275 38.487 -0.026 0.000 0.998 586 N HN 0.329 nan 8.380 nan 0.000 0.424 587 R N 0.443 120.939 120.500 -0.007 0.000 2.091 587 R HA -0.006 4.334 4.340 -0.000 0.000 0.238 587 R C 2.126 178.436 176.300 0.018 0.000 1.136 587 R CA 0.915 57.013 56.100 -0.005 0.000 0.959 587 R CB -0.416 29.866 30.300 -0.030 0.000 0.856 587 R HN 0.292 nan 8.270 nan 0.000 0.437 588 I N 0.264 120.848 120.570 0.023 0.000 2.286 588 I HA -0.244 3.926 4.170 -0.000 0.000 0.248 588 I C 2.239 178.381 176.117 0.040 0.000 1.115 588 I CA 1.027 62.347 61.300 0.034 0.000 1.392 588 I CB -0.211 37.820 38.000 0.051 0.000 1.065 588 I HN -0.028 nan 8.210 nan 0.000 0.418 589 V N 1.130 121.072 119.914 0.048 0.000 2.283 589 V HA -0.239 3.881 4.120 -0.000 0.000 0.243 589 V C 2.329 178.450 176.094 0.045 0.000 1.039 589 V CA 1.734 64.060 62.300 0.044 0.000 1.016 589 V CB -0.347 31.504 31.823 0.047 0.000 0.650 589 V HN 0.301 nan 8.190 nan 0.000 0.449 590 I N -0.327 120.278 120.570 0.057 0.000 2.194 590 I HA -0.311 3.859 4.170 -0.000 0.000 0.246 590 I C 2.767 178.929 176.117 0.074 0.000 1.093 590 I CA 1.842 63.194 61.300 0.086 0.000 1.355 590 I CB -0.482 37.593 38.000 0.126 0.000 1.046 590 I HN 0.216 nan 8.210 nan 0.000 0.413 591 R N 0.953 121.490 120.500 0.061 0.000 2.081 591 R HA -0.135 4.205 4.340 -0.000 0.000 0.235 591 R C 2.200 178.513 176.300 0.023 0.000 1.131 591 R CA 1.542 57.668 56.100 0.044 0.000 0.960 591 R CB -0.549 29.771 30.300 0.033 0.000 0.856 591 R HN 0.441 nan 8.270 nan 0.000 0.436 592 G N -0.008 108.805 108.800 0.023 0.000 2.653 592 G HA2 -0.087 3.873 3.960 -0.000 0.000 0.212 592 G HA3 -0.087 3.873 3.960 -0.000 0.000 0.212 592 G C 0.874 175.777 174.900 0.005 0.000 1.138 592 G CA 0.216 45.325 45.100 0.014 0.000 0.782 592 G HN 0.242 nan 8.290 nan 0.000 0.535 593 L N -0.354 120.870 121.223 0.001 0.000 3.202 593 L HA 0.272 4.612 4.340 -0.000 0.000 0.278 593 L C 0.687 177.531 176.870 -0.042 0.000 1.268 593 L CA -0.561 54.270 54.840 -0.015 0.000 1.034 593 L CB -0.112 41.943 42.059 -0.008 0.000 1.407 593 L HN 0.138 nan 8.230 nan 0.000 0.581 594 N N 1.438 120.115 118.700 -0.039 0.000 2.699 594 N HA -0.228 4.512 4.740 -0.000 0.000 0.256 594 N C 1.074 176.507 175.510 -0.129 0.000 0.993 594 N CA 1.037 54.051 53.050 -0.061 0.000 0.759 594 N CB -0.317 38.140 38.487 -0.050 0.000 0.906 594 N HN 0.585 nan 8.380 nan 0.000 0.541 595 T N -3.324 111.128 114.554 -0.171 0.000 3.044 595 T HA 0.150 4.500 4.350 -0.000 0.000 0.255 595 T C 1.972 176.357 174.700 -0.524 0.000 1.073 595 T CA 0.632 62.458 62.100 -0.456 0.000 1.125 595 T CB -0.149 68.404 68.868 -0.525 0.000 0.908 595 T HN 0.343 nan 8.240 nan 0.000 0.480 596 I N 2.643 123.139 120.570 -0.124 0.000 2.185 596 I HA -0.108 4.062 4.170 -0.000 0.000 0.246 596 I C -0.372 175.727 176.117 -0.030 0.000 1.088 596 I CA 1.473 62.798 61.300 0.042 0.000 1.347 596 I CB -1.195 36.842 38.000 0.061 0.000 1.041 596 I HN 0.286 nan 8.210 nan 0.000 0.415 597 P HA -0.131 nan 4.420 nan 0.000 0.226 597 P C 1.710 178.955 177.300 -0.092 0.000 1.153 597 P CA 1.074 64.140 63.100 -0.057 0.000 0.777 597 P CB 0.111 31.779 31.700 -0.052 0.000 0.794 598 L N -0.970 120.116 121.223 -0.228 0.000 2.071 598 L HA 0.071 4.411 4.340 -0.000 0.000 0.201 598 L C 2.356 179.099 176.870 -0.212 0.000 1.076 598 L CA 1.610 56.280 54.840 -0.283 0.000 0.755 598 L CB -1.523 40.259 42.059 -0.461 0.000 0.915 598 L HN -0.266 nan 8.230 nan 0.000 0.445 599 F N -0.260 119.649 119.950 -0.068 0.000 2.063 599 F HA -0.257 4.270 4.527 0.000 0.000 0.298 599 F C 2.583 178.359 175.800 -0.041 0.000 1.109 599 F CA 1.755 59.710 58.000 -0.074 0.000 1.212 599 F CB -1.727 37.229 39.000 -0.073 0.000 0.973 599 F HN -0.092 nan 8.300 nan 0.000 0.480 600 V N -0.373 119.646 119.914 0.174 0.000 2.278 600 V HA -0.368 3.752 4.120 -0.000 0.000 0.251 600 V C 2.449 178.671 176.094 0.214 0.000 1.062 600 V CA 2.268 64.653 62.300 0.142 0.000 1.038 600 V CB -0.874 31.023 31.823 0.123 0.000 0.646 600 V HN 0.277 nan 8.190 nan 0.000 0.447 601 Q N -0.493 119.411 119.800 0.173 0.000 2.096 601 Q HA -0.152 4.188 4.340 -0.000 0.000 0.204 601 Q C 2.098 178.249 176.000 0.252 0.000 0.982 601 Q CA 1.729 57.659 55.803 0.211 0.000 0.850 601 Q CB -0.522 28.253 28.738 0.062 0.000 0.901 601 Q HN 0.633 nan 8.270 nan 0.000 0.422 602 L N -0.354 120.917 121.223 0.081 0.000 2.042 602 L HA -0.227 4.113 4.340 -0.000 0.000 0.210 602 L C 2.029 178.962 176.870 0.106 0.000 1.076 602 L CA 0.954 55.823 54.840 0.048 0.000 0.749 602 L CB -0.597 41.476 42.059 0.023 0.000 0.893 602 L HN 0.300 nan 8.230 nan 0.000 0.432 603 L N -1.309 119.960 121.223 0.076 0.000 2.369 603 L HA -0.266 4.074 4.340 -0.000 0.000 0.220 603 L C 1.485 178.291 176.870 -0.106 0.000 1.119 603 L CA 1.229 56.035 54.840 -0.056 0.000 0.780 603 L CB -0.735 41.227 42.059 -0.162 0.000 0.906 603 L HN 0.300 nan 8.230 nan 0.000 0.442 604 Y N -0.582 119.734 120.300 0.026 0.000 2.537 604 Y HA 0.116 4.666 4.550 -0.000 0.000 0.303 604 Y C 1.488 177.412 175.900 0.040 0.000 1.176 604 Y CA -0.342 57.778 58.100 0.034 0.000 1.273 604 Y CB -0.148 38.337 38.460 0.041 0.000 1.110 604 Y HN 0.028 nan 8.280 nan 0.000 0.518 605 S N 1.781 117.566 115.700 0.142 0.000 2.601 605 S HA 0.185 4.655 4.470 -0.000 0.000 0.271 605 S C -1.313 173.329 174.600 0.070 0.000 1.305 605 S CA -1.266 56.997 58.200 0.106 0.000 1.022 605 S CB 1.162 64.409 63.200 0.078 0.000 0.940 605 S HN 0.149 nan 8.310 nan 0.000 0.525 606 P HA 0.274 nan 4.420 nan 0.000 0.245 606 P C -0.133 177.185 177.300 0.030 0.000 1.203 606 P CA 0.198 63.324 63.100 0.043 0.000 0.792 606 P CB -0.034 31.692 31.700 0.043 0.000 0.997 607 I N 0.615 121.202 120.570 0.029 0.000 2.365 607 I HA 0.143 4.313 4.170 -0.000 0.000 0.291 607 I C 1.617 177.744 176.117 0.017 0.000 1.004 607 I CA -0.490 60.822 61.300 0.019 0.000 1.311 607 I CB 1.160 39.170 38.000 0.017 0.000 1.401 607 I HN -0.207 nan 8.210 nan 0.000 0.491 608 E N 3.838 124.045 120.200 0.013 0.000 2.031 608 E HA -0.191 4.159 4.350 -0.000 0.000 0.193 608 E C 1.460 178.067 176.600 0.013 0.000 0.994 608 E CA 1.112 57.518 56.400 0.011 0.000 0.800 608 E CB -0.027 29.679 29.700 0.009 0.000 0.752 608 E HN 0.604 nan 8.360 nan 0.000 0.447 609 N N 1.061 119.771 118.700 0.017 0.000 2.061 609 N HA -0.191 4.549 4.740 -0.000 0.000 0.193 609 N C 1.993 177.515 175.510 0.020 0.000 1.030 609 N CA 1.155 54.219 53.050 0.024 0.000 0.856 609 N CB -0.292 38.210 38.487 0.025 0.000 1.023 609 N HN 0.184 nan 8.380 nan 0.000 0.424 610 I N 1.730 122.309 120.570 0.016 0.000 2.208 610 I HA -0.311 3.859 4.170 -0.000 0.000 0.245 610 I C 2.381 178.496 176.117 -0.003 0.000 1.097 610 I CA 1.150 62.457 61.300 0.013 0.000 1.363 610 I CB -0.312 37.702 38.000 0.024 0.000 1.051 610 I HN 0.229 nan 8.210 nan 0.000 0.413 611 Q N 0.283 120.082 119.800 -0.001 0.000 2.002 611 Q HA -0.269 4.071 4.340 -0.000 0.000 0.204 611 Q C 2.321 178.304 176.000 -0.029 0.000 0.988 611 Q CA 1.639 57.432 55.803 -0.017 0.000 0.843 611 Q CB -0.375 28.355 28.738 -0.013 0.000 0.908 611 Q HN 0.417 nan 8.270 nan 0.000 0.420 612 R N 0.553 121.054 120.500 0.001 0.000 2.171 612 R HA -0.222 4.118 4.340 -0.000 0.000 0.232 612 R C 2.413 178.684 176.300 -0.048 0.000 1.116 612 R CA 2.482 58.606 56.100 0.040 0.000 0.901 612 R CB -0.738 29.606 30.300 0.073 0.000 0.850 612 R HN 0.356 nan 8.270 nan 0.000 0.431 613 V N -1.523 118.350 119.914 -0.069 0.000 2.660 613 V HA -0.159 3.961 4.120 -0.000 0.000 0.257 613 V C 2.177 178.040 176.094 -0.386 0.000 1.088 613 V CA 1.906 64.074 62.300 -0.220 0.000 1.106 613 V CB -1.161 30.647 31.823 -0.025 0.000 0.686 613 V HN 0.493 nan 8.190 nan 0.000 0.481 614 A N 0.592 123.267 122.820 -0.241 0.000 1.897 614 A HA 0.280 4.600 4.320 -0.000 0.000 0.215 614 A C 2.404 179.803 177.584 -0.309 0.000 1.181 614 A CA 1.784 53.677 52.037 -0.241 0.000 0.620 614 A CB -0.832 18.120 19.000 -0.080 0.000 0.821 614 A HN 0.951 nan 8.150 nan 0.000 0.443 615 A N -0.791 121.869 122.820 -0.267 0.000 2.123 615 A HA 0.324 4.644 4.320 -0.000 0.000 0.214 615 A C 2.171 179.428 177.584 -0.545 0.000 1.152 615 A CA 1.358 53.242 52.037 -0.255 0.000 0.728 615 A CB -0.818 18.134 19.000 -0.080 0.000 0.814 615 A HN 0.588 nan 8.150 nan 0.000 0.464 616 G N -0.801 107.442 108.800 -0.928 0.000 2.395 616 G HA2 -0.047 3.913 3.960 -0.000 0.000 0.214 616 G HA3 -0.047 3.913 3.960 -0.000 0.000 0.214 616 G C 1.544 175.824 174.900 -1.033 0.000 1.177 616 G CA 1.010 45.087 45.100 -1.704 0.000 0.794 616 G HN 0.393 nan 8.290 nan 0.000 0.532 617 V N 0.587 119.991 119.914 -0.851 0.000 2.490 617 V HA 0.002 4.122 4.120 -0.000 0.000 0.250 617 V C 2.733 178.565 176.094 -0.437 0.000 1.061 617 V CA 1.447 63.392 62.300 -0.592 0.000 1.064 617 V CB -0.178 31.104 31.823 -0.901 0.000 0.670 617 V HN 0.380 nan 8.190 nan 0.000 0.461 618 L N -0.757 120.223 121.223 -0.405 0.000 2.179 618 L HA -0.125 4.215 4.340 -0.000 0.000 0.208 618 L C 2.707 179.467 176.870 -0.183 0.000 1.096 618 L CA 1.503 56.216 54.840 -0.211 0.000 0.779 618 L CB -0.611 41.362 42.059 -0.143 0.000 0.922 618 L HN 0.566 nan 8.230 nan 0.000 0.443 619 C N 0.026 119.163 119.300 -0.271 0.000 2.440 619 C HA -0.112 4.348 4.460 -0.000 0.000 0.278 619 C C 2.739 177.649 174.990 -0.133 0.000 1.295 619 C CA 0.698 59.608 59.018 -0.181 0.000 1.738 619 C CB -0.463 27.119 27.740 -0.263 0.000 1.987 619 C HN 0.460 nan 8.230 nan 0.000 0.492 620 E N 0.790 120.878 120.200 -0.186 0.000 2.028 620 E HA -0.095 4.255 4.350 -0.000 0.000 0.191 620 E C 2.215 178.769 176.600 -0.077 0.000 0.988 620 E CA 1.300 57.636 56.400 -0.105 0.000 0.799 620 E CB -0.581 29.060 29.700 -0.098 0.000 0.755 620 E HN 0.698 nan 8.360 nan 0.000 0.447 621 L N 0.446 121.618 121.223 -0.086 0.000 2.093 621 L HA -0.063 4.277 4.340 -0.000 0.000 0.208 621 L C 2.295 179.144 176.870 -0.036 0.000 1.085 621 L CA 0.877 55.690 54.840 -0.045 0.000 0.755 621 L CB -0.479 41.571 42.059 -0.016 0.000 0.904 621 L HN 0.011 nan 8.230 nan 0.000 0.435 622 A N -0.259 122.535 122.820 -0.044 0.000 2.248 622 A HA -0.144 4.176 4.320 -0.000 0.000 0.210 622 A C 2.057 179.618 177.584 -0.039 0.000 1.174 622 A CA 0.694 52.709 52.037 -0.037 0.000 0.750 622 A CB -0.408 18.570 19.000 -0.037 0.000 0.780 622 A HN 0.550 nan 8.150 nan 0.000 0.478 623 Q N -0.030 119.749 119.800 -0.035 0.000 2.230 623 Q HA -0.057 4.283 4.340 -0.000 0.000 0.202 623 Q C 0.264 176.240 176.000 -0.039 0.000 0.963 623 Q CA 0.499 56.282 55.803 -0.033 0.000 0.866 623 Q CB -0.103 28.621 28.738 -0.024 0.000 0.931 623 Q HN 0.596 nan 8.270 nan 0.000 0.452 624 D N 0.052 120.430 120.400 -0.035 0.000 2.369 624 D HA 0.044 4.684 4.640 -0.000 0.000 0.241 624 D C 1.102 177.380 176.300 -0.037 0.000 1.271 624 D CA 0.649 54.629 54.000 -0.033 0.000 0.942 624 D CB 0.826 41.611 40.800 -0.025 0.000 1.129 624 D HN 0.097 nan 8.370 nan 0.000 0.476 625 K N 0.437 120.817 120.400 -0.033 0.000 2.202 625 K HA 0.000 4.320 4.320 -0.000 0.000 0.201 625 K C 1.897 178.480 176.600 -0.027 0.000 1.051 625 K CA 0.845 57.111 56.287 -0.035 0.000 0.977 625 K CB -0.408 32.073 32.500 -0.032 0.000 0.792 625 K HN 0.484 nan 8.250 nan 0.000 0.469 626 E N -0.094 120.094 120.200 -0.020 0.000 2.028 626 E HA 0.006 4.356 4.350 -0.000 0.000 0.190 626 E C 2.473 179.066 176.600 -0.011 0.000 0.984 626 E CA 0.855 57.247 56.400 -0.013 0.000 0.800 626 E CB -0.075 29.619 29.700 -0.009 0.000 0.758 626 E HN 0.529 nan 8.360 nan 0.000 0.448 627 A N 1.502 124.316 122.820 -0.010 0.000 1.883 627 A HA -0.180 4.140 4.320 -0.000 0.000 0.217 627 A C 2.384 179.964 177.584 -0.007 0.000 1.186 627 A CA 1.931 53.966 52.037 -0.003 0.000 0.624 627 A CB -0.757 18.242 19.000 -0.002 0.000 0.822 627 A HN 0.325 nan 8.150 nan 0.000 0.444 628 A N -0.379 122.430 122.820 -0.019 0.000 1.940 628 A HA -0.200 4.120 4.320 -0.000 0.000 0.219 628 A C 1.904 179.476 177.584 -0.020 0.000 1.176 628 A CA 1.744 53.765 52.037 -0.025 0.000 0.631 628 A CB -0.503 18.471 19.000 -0.043 0.000 0.814 628 A HN 0.661 nan 8.150 nan 0.000 0.446 629 E N -0.733 119.456 120.200 -0.019 0.000 2.371 629 E HA 0.096 4.446 4.350 -0.000 0.000 0.194 629 E C 2.074 178.671 176.600 -0.006 0.000 1.012 629 E CA 0.505 56.896 56.400 -0.015 0.000 0.860 629 E CB -0.107 29.583 29.700 -0.017 0.000 0.811 629 E HN 0.636 nan 8.360 nan 0.000 0.502 630 A N 0.967 123.786 122.820 -0.002 0.000 1.975 630 A HA -0.046 4.274 4.320 -0.000 0.000 0.215 630 A C 2.071 179.661 177.584 0.010 0.000 1.170 630 A CA 0.464 52.504 52.037 0.004 0.000 0.656 630 A CB -0.277 18.726 19.000 0.005 0.000 0.821 630 A HN 0.099 nan 8.150 nan 0.000 0.449 631 I N -0.439 120.138 120.570 0.011 0.000 2.226 631 I HA -0.206 3.964 4.170 -0.000 0.000 0.245 631 I C 2.592 178.719 176.117 0.018 0.000 1.100 631 I CA 1.463 62.775 61.300 0.020 0.000 1.374 631 I CB -0.323 37.686 38.000 0.014 0.000 1.057 631 I HN 0.350 nan 8.210 nan 0.000 0.413 632 E N 1.983 122.188 120.200 0.008 0.000 2.038 632 E HA -0.240 4.110 4.350 -0.000 0.000 0.195 632 E C 2.184 178.793 176.600 0.014 0.000 1.000 632 E CA 1.902 58.306 56.400 0.008 0.000 0.803 632 E CB -0.144 29.556 29.700 -0.000 0.000 0.750 632 E HN 0.423 nan 8.360 nan 0.000 0.448 633 A N 0.620 123.447 122.820 0.011 0.000 2.178 633 A HA -0.156 4.164 4.320 -0.000 0.000 0.218 633 A C 1.886 179.481 177.584 0.018 0.000 1.157 633 A CA 1.664 53.708 52.037 0.012 0.000 0.689 633 A CB -0.356 18.648 19.000 0.007 0.000 0.787 633 A HN 0.178 nan 8.150 nan 0.000 0.465 634 E N -1.127 119.088 120.200 0.025 0.000 2.447 634 E HA 0.253 4.603 4.350 -0.000 0.000 0.195 634 E C 1.098 177.731 176.600 0.055 0.000 1.028 634 E CA 0.755 57.176 56.400 0.034 0.000 0.876 634 E CB -0.150 29.572 29.700 0.036 0.000 0.885 634 E HN 0.760 nan 8.360 nan 0.000 0.500 635 G N -0.190 108.642 108.800 0.053 0.000 2.130 635 G HA2 -0.244 3.716 3.960 -0.000 0.000 0.216 635 G HA3 -0.244 3.716 3.960 -0.000 0.000 0.216 635 G C 0.842 175.793 174.900 0.085 0.000 0.999 635 G CA 0.411 45.555 45.100 0.074 0.000 0.686 635 G HN 0.490 nan 8.290 nan 0.000 0.515 636 A N -0.522 122.331 122.820 0.054 0.000 2.238 636 A HA 0.461 4.781 4.320 -0.000 0.000 0.208 636 A C 2.134 179.711 177.584 -0.010 0.000 1.177 636 A CA 2.142 54.193 52.037 0.023 0.000 0.804 636 A CB -0.342 18.670 19.000 0.020 0.000 0.823 636 A HN 0.579 nan 8.150 nan 0.000 0.482 637 T N 0.053 114.609 114.554 0.005 0.000 2.770 637 T HA 0.078 4.428 4.350 -0.000 0.000 0.258 637 T C 2.385 177.076 174.700 -0.016 0.000 1.039 637 T CA 1.228 63.325 62.100 -0.004 0.000 1.143 637 T CB -0.412 68.461 68.868 0.009 0.000 0.866 637 T HN 0.560 nan 8.240 nan 0.000 0.428 638 A N 2.990 125.812 122.820 0.003 0.000 1.859 638 A HA -0.119 4.201 4.320 -0.000 0.000 0.218 638 A C 0.494 178.041 177.584 -0.061 0.000 1.209 638 A CA 1.951 53.990 52.037 0.003 0.000 0.639 638 A CB -1.824 17.209 19.000 0.055 0.000 0.835 638 A HN 0.430 nan 8.150 nan 0.000 0.450 639 P HA -0.171 nan 4.420 nan 0.000 0.216 639 P C 1.644 178.816 177.300 -0.213 0.000 1.150 639 P CA 1.301 64.199 63.100 -0.338 0.000 0.843 639 P CB -0.242 31.041 31.700 -0.695 0.000 0.787 640 L N -0.743 120.394 121.223 -0.144 0.000 2.046 640 L HA -0.130 4.210 4.340 -0.000 0.000 0.208 640 L C 2.750 179.548 176.870 -0.119 0.000 1.077 640 L CA 1.984 56.756 54.840 -0.112 0.000 0.747 640 L CB -1.719 40.297 42.059 -0.072 0.000 0.896 640 L HN 0.022 nan 8.230 nan 0.000 0.432 641 T N -0.265 114.233 114.554 -0.093 0.000 2.653 641 T HA -0.305 4.045 4.350 -0.000 0.000 0.268 641 T C 2.115 176.732 174.700 -0.139 0.000 1.035 641 T CA 2.202 64.248 62.100 -0.090 0.000 1.154 641 T CB -0.336 68.524 68.868 -0.014 0.000 0.862 641 T HN 0.632 nan 8.240 nan 0.000 0.441 642 E N 0.825 120.984 120.200 -0.067 0.000 2.107 642 E HA 0.076 4.426 4.350 -0.000 0.000 0.191 642 E C 2.082 178.640 176.600 -0.071 0.000 0.982 642 E CA 0.879 57.281 56.400 0.004 0.000 0.809 642 E CB -0.952 28.753 29.700 0.008 0.000 0.756 642 E HN 0.596 nan 8.360 nan 0.000 0.459 643 L N -0.032 121.119 121.223 -0.119 0.000 2.456 643 L HA 0.034 4.374 4.340 -0.000 0.000 0.224 643 L C 2.631 179.407 176.870 -0.157 0.000 1.148 643 L CA 0.317 55.092 54.840 -0.108 0.000 0.825 643 L CB -0.151 41.848 42.059 -0.100 0.000 0.937 643 L HN 0.295 nan 8.230 nan 0.000 0.450 644 L N -0.657 120.384 121.223 -0.303 0.000 2.191 644 L HA -0.191 4.149 4.340 -0.000 0.000 0.212 644 L C 1.912 178.553 176.870 -0.383 0.000 1.103 644 L CA 0.814 55.421 54.840 -0.389 0.000 0.769 644 L CB -0.331 41.393 42.059 -0.559 0.000 0.908 644 L HN 0.457 nan 8.230 nan 0.000 0.438 645 H N -1.982 117.077 119.070 -0.018 0.000 2.517 645 H HA 0.174 4.730 4.556 -0.000 0.000 0.282 645 H C 0.978 176.296 175.328 -0.016 0.000 1.023 645 H CA -0.094 55.944 56.048 -0.016 0.000 1.169 645 H CB 0.119 29.873 29.762 -0.013 0.000 1.454 645 H HN 0.093 nan 8.280 nan 0.000 0.556 646 S N 1.360 117.079 115.700 0.032 0.000 2.560 646 S HA -0.006 4.464 4.470 -0.000 0.000 0.284 646 S C 1.490 176.100 174.600 0.016 0.000 1.327 646 S CA -0.560 57.651 58.200 0.019 0.000 1.055 646 S CB 0.846 64.041 63.200 -0.009 0.000 0.868 646 S HN 0.256 nan 8.310 nan 0.000 0.506 647 R N 2.464 122.973 120.500 0.015 0.000 2.280 647 R HA 0.064 4.404 4.340 -0.000 0.000 0.207 647 R C 0.481 176.779 176.300 -0.003 0.000 1.043 647 R CA 0.177 56.282 56.100 0.008 0.000 1.006 647 R CB -1.108 29.197 30.300 0.008 0.000 0.885 647 R HN 0.606 nan 8.270 nan 0.000 0.467 648 N N 1.974 120.670 118.700 -0.006 0.000 2.402 648 N HA -0.017 4.723 4.740 -0.000 0.000 0.252 648 N C 1.038 176.531 175.510 -0.027 0.000 1.118 648 N CA 0.685 53.727 53.050 -0.013 0.000 0.945 648 N CB 1.081 39.563 38.487 -0.008 0.000 1.147 648 N HN 0.276 nan 8.380 nan 0.000 0.495 649 E N 3.396 123.574 120.200 -0.036 0.000 2.114 649 E HA -0.199 4.151 4.350 -0.000 0.000 0.199 649 E C 1.755 178.304 176.600 -0.084 0.000 1.008 649 E CA 1.841 58.207 56.400 -0.056 0.000 0.810 649 E CB -1.324 28.341 29.700 -0.058 0.000 0.739 649 E HN 0.764 nan 8.360 nan 0.000 0.456 650 G N 0.337 109.088 108.800 -0.081 0.000 2.480 650 G HA2 -0.201 3.759 3.960 -0.000 0.000 0.216 650 G HA3 -0.201 3.759 3.960 -0.000 0.000 0.216 650 G C 2.002 176.855 174.900 -0.078 0.000 1.200 650 G CA 2.169 47.201 45.100 -0.113 0.000 0.782 650 G HN 0.560 nan 8.290 nan 0.000 0.554 651 V N 1.863 121.764 119.914 -0.022 0.000 2.252 651 V HA -0.212 3.908 4.120 -0.000 0.000 0.249 651 V C 3.373 179.457 176.094 -0.016 0.000 1.056 651 V CA 2.331 64.633 62.300 0.002 0.000 1.022 651 V CB -1.260 30.557 31.823 -0.010 0.000 0.641 651 V HN 0.517 nan 8.190 nan 0.000 0.445 652 A N -0.188 122.605 122.820 -0.044 0.000 1.883 652 A HA -0.267 4.053 4.320 -0.000 0.000 0.217 652 A C 2.401 179.945 177.584 -0.066 0.000 1.186 652 A CA 2.752 54.753 52.037 -0.061 0.000 0.624 652 A CB -1.181 17.784 19.000 -0.058 0.000 0.822 652 A HN 0.529 nan 8.150 nan 0.000 0.444 653 T N -1.209 113.283 114.554 -0.102 0.000 2.652 653 T HA -0.183 4.167 4.350 -0.000 0.000 0.267 653 T C 1.803 176.454 174.700 -0.082 0.000 1.039 653 T CA 1.946 63.957 62.100 -0.147 0.000 1.153 653 T CB -0.452 68.250 68.868 -0.276 0.000 0.863 653 T HN 0.506 nan 8.240 nan 0.000 0.428 654 Y N 1.304 121.571 120.300 -0.055 0.000 2.263 654 Y HA 0.180 4.730 4.550 -0.000 0.000 0.292 654 Y C 2.666 178.528 175.900 -0.064 0.000 1.130 654 Y CA -0.145 57.917 58.100 -0.063 0.000 1.179 654 Y CB -1.215 37.186 38.460 -0.097 0.000 0.998 654 Y HN 0.196 nan 8.280 nan 0.000 0.532 655 A N 0.276 123.149 122.820 0.088 0.000 1.873 655 A HA -0.217 4.103 4.320 -0.000 0.000 0.218 655 A C 2.549 180.139 177.584 0.010 0.000 1.193 655 A CA 2.420 54.463 52.037 0.009 0.000 0.629 655 A CB -1.370 17.602 19.000 -0.047 0.000 0.826 655 A HN 0.388 nan 8.150 nan 0.000 0.447 656 A N -0.283 122.534 122.820 -0.004 0.000 1.917 656 A HA 0.044 4.364 4.320 -0.000 0.000 0.219 656 A C 2.542 180.163 177.584 0.062 0.000 1.182 656 A CA 2.669 54.705 52.037 -0.002 0.000 0.633 656 A CB -1.187 17.789 19.000 -0.039 0.000 0.819 656 A HN 1.207 nan 8.150 nan 0.000 0.448 657 A N -0.536 122.338 122.820 0.091 0.000 1.851 657 A HA -0.057 4.263 4.320 -0.000 0.000 0.216 657 A C 2.246 179.929 177.584 0.165 0.000 1.195 657 A CA 2.070 54.205 52.037 0.162 0.000 0.622 657 A CB -1.241 17.884 19.000 0.209 0.000 0.831 657 A HN 0.523 nan 8.150 nan 0.000 0.444 658 V N 0.326 120.294 119.914 0.089 0.000 2.250 658 V HA -0.336 3.784 4.120 -0.000 0.000 0.250 658 V C 2.602 178.725 176.094 0.048 0.000 1.060 658 V CA 2.230 64.551 62.300 0.036 0.000 1.030 658 V CB -0.997 30.819 31.823 -0.011 0.000 0.643 658 V HN 0.575 nan 8.190 nan 0.000 0.445 659 L N -1.390 119.868 121.223 0.058 0.000 2.043 659 L HA -0.219 4.121 4.340 -0.000 0.000 0.212 659 L C 2.375 179.310 176.870 0.108 0.000 1.075 659 L CA 1.966 56.842 54.840 0.059 0.000 0.752 659 L CB -0.670 41.419 42.059 0.049 0.000 0.891 659 L HN 0.380 nan 8.230 nan 0.000 0.432 660 F N 1.364 121.307 119.950 -0.010 0.000 1.997 660 F HA -0.198 4.329 4.527 -0.000 0.000 0.296 660 F C 2.552 178.349 175.800 -0.006 0.000 1.160 660 F CA 1.500 59.496 58.000 -0.006 0.000 1.176 660 F CB -0.479 38.520 39.000 -0.002 0.000 0.964 660 F HN -0.123 nan 8.300 nan 0.000 0.484 661 R N 0.338 120.751 120.500 -0.144 0.000 2.421 661 R HA -0.095 4.245 4.340 -0.000 0.000 0.208 661 R C 0.687 176.885 176.300 -0.170 0.000 1.103 661 R CA 0.330 56.276 56.100 -0.257 0.000 1.065 661 R CB -0.892 29.367 30.300 -0.068 0.000 0.839 661 R HN 0.411 nan 8.270 nan 0.000 0.480 662 M N 0.000 119.527 119.600 -0.122 0.000 2.572 662 M HA 0.000 4.480 4.480 -0.000 0.000 0.227 662 M CA 0.000 55.254 55.300 -0.076 0.000 0.988 662 M CB 0.000 32.582 32.600 -0.030 0.000 1.302 662 M HN 0.000 nan 8.290 nan 0.000 0.411