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 1lwu_1_H DATA FIRST_RESID 163 DATA SEQUENCE AQKEIENRYK EVKIRIESTV AGSLRSMKSV LEHLRAKMQR MEEAIKTQKE DATA SEQUENCE LCSAPCTVNc RVPVVSGMHc EDIYRNGGRT SEAYYIQPDL FSEPYKVFcD DATA SEQUENCE MESHGGGWTV VQNRVDGSSN FARDWNTYKA EFGNIAFGNG KSIcNIPGEY DATA SEQUENCE WLGTKTVHQL TKQHTQQVLF DMSDWEGSSV YAQYASFRPE NEAQGYRLWV DATA SEQUENCE EDYSGNAGNA LLEGATQLMG DNRTMTIHNG MQFSTFDRDN DNWNPGDPTK DATA SEQUENCE HcSREDAGGW WYNRcHAANP NGRYYWGGIY TKEQADYGTD DGVVWMNWKG DATA SEQUENCE SWYSMRQMAM KLRPK 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 163 A HA 0.000 nan 4.320 nan 0.000 0.244 163 A C 0.000 177.577 177.584 -0.012 0.000 1.274 163 A CA 0.000 52.031 52.037 -0.010 0.000 0.836 163 A CB 0.000 18.996 19.000 -0.006 0.000 0.831 164 Q N 0.210 120.004 119.800 -0.010 0.000 2.329 164 Q HA 0.262 4.602 4.340 -0.000 0.000 0.208 164 Q C 0.798 176.799 176.000 0.002 0.000 0.934 164 Q CA 1.746 57.543 55.803 -0.010 0.000 0.951 164 Q CB -0.179 28.553 28.738 -0.009 0.000 1.017 164 Q HN 0.585 nan 8.270 nan 0.000 0.490 165 K N -1.165 119.238 120.400 0.006 0.000 2.735 165 K HA -0.022 4.298 4.320 -0.000 0.000 0.197 165 K C 1.390 178.003 176.600 0.022 0.000 1.468 165 K CA 0.775 57.071 56.287 0.015 0.000 1.109 165 K CB 0.204 32.711 32.500 0.011 0.000 1.732 165 K HN 0.202 nan 8.250 nan 0.000 0.541 166 E N 0.990 121.199 120.200 0.016 0.000 2.150 166 E HA -0.106 4.244 4.350 -0.000 0.000 0.193 166 E C 1.283 177.901 176.600 0.030 0.000 0.985 166 E CA 1.336 57.748 56.400 0.020 0.000 0.814 166 E CB -0.159 29.549 29.700 0.012 0.000 0.752 166 E HN 0.373 nan 8.360 nan 0.000 0.466 167 I N 0.270 120.854 120.570 0.023 0.000 3.855 167 I HA 0.139 4.309 4.170 -0.000 0.000 0.327 167 I C 1.323 177.477 176.117 0.061 0.000 1.359 167 I CA 0.166 61.483 61.300 0.029 0.000 1.142 167 I CB 0.199 38.191 38.000 -0.014 0.000 1.041 167 I HN 0.086 nan 8.210 nan 0.000 0.403 168 E N 0.463 120.712 120.200 0.082 0.000 2.508 168 E HA 0.074 4.424 4.350 -0.000 0.000 0.217 168 E C 1.542 178.217 176.600 0.124 0.000 0.896 168 E CA 0.278 56.758 56.400 0.134 0.000 1.118 168 E CB 0.376 30.122 29.700 0.076 0.000 1.133 168 E HN 0.159 nan 8.360 nan 0.000 0.526 169 N N 0.140 118.888 118.700 0.081 0.000 2.368 169 N HA 0.065 4.805 4.740 -0.000 0.000 0.176 169 N C 1.272 176.812 175.510 0.050 0.000 1.021 169 N CA 0.590 53.672 53.050 0.052 0.000 0.888 169 N CB 0.165 38.672 38.487 0.034 0.000 0.995 169 N HN 0.101 nan 8.380 nan 0.000 0.437 170 R N -0.755 119.787 120.500 0.070 0.000 2.223 170 R HA 0.054 4.393 4.340 -0.000 0.000 0.198 170 R C 1.561 177.915 176.300 0.090 0.000 0.984 170 R CA 0.129 56.265 56.100 0.061 0.000 1.018 170 R CB -0.044 30.290 30.300 0.056 0.000 0.945 170 R HN 0.197 nan 8.270 nan 0.000 0.479 171 Y N 1.931 122.230 120.300 -0.002 0.000 2.286 171 Y HA -0.089 4.461 4.550 -0.000 0.000 0.293 171 Y C 2.105 178.004 175.900 -0.002 0.000 1.124 171 Y CA 1.311 59.410 58.100 -0.001 0.000 1.178 171 Y CB 0.132 38.591 38.460 -0.001 0.000 1.010 171 Y HN -0.253 nan 8.280 nan 0.000 0.536 172 K N 1.246 121.599 120.400 -0.078 0.000 2.217 172 K HA -0.133 4.187 4.320 -0.000 0.000 0.202 172 K C 1.609 178.132 176.600 -0.128 0.000 1.051 172 K CA 1.751 57.951 56.287 -0.146 0.000 0.952 172 K CB -0.259 32.226 32.500 -0.024 0.000 0.736 172 K HN 0.688 nan 8.250 nan 0.000 0.453 173 E N -0.937 119.217 120.200 -0.077 0.000 2.472 173 E HA -0.007 4.343 4.350 -0.000 0.000 0.196 173 E C 1.376 177.938 176.600 -0.064 0.000 1.033 173 E CA 0.252 56.618 56.400 -0.057 0.000 0.886 173 E CB 0.329 30.015 29.700 -0.024 0.000 0.944 173 E HN 0.085 nan 8.360 nan 0.000 0.492 174 V N 0.635 120.496 119.914 -0.088 0.000 3.471 174 V HA 0.070 4.190 4.120 -0.000 0.000 0.258 174 V C 1.906 177.932 176.094 -0.114 0.000 1.192 174 V CA 1.090 63.348 62.300 -0.069 0.000 1.116 174 V CB 0.145 31.958 31.823 -0.017 0.000 0.792 174 V HN 0.112 nan 8.190 nan 0.000 0.459 175 K N -0.191 120.082 120.400 -0.213 0.000 2.284 175 K HA 0.196 4.516 4.320 -0.000 0.000 0.198 175 K C 1.834 178.353 176.600 -0.134 0.000 1.048 175 K CA 0.807 56.966 56.287 -0.213 0.000 0.987 175 K CB -0.065 32.207 32.500 -0.380 0.000 0.800 175 K HN 0.465 nan 8.250 nan 0.000 0.486 176 I N 1.377 121.875 120.570 -0.121 0.000 2.315 176 I HA -0.348 3.822 4.170 -0.000 0.000 0.251 176 I C 2.060 178.142 176.117 -0.058 0.000 1.125 176 I CA 1.075 62.328 61.300 -0.079 0.000 1.392 176 I CB -0.184 37.777 38.000 -0.064 0.000 1.065 176 I HN 0.188 nan 8.210 nan 0.000 0.424 177 R N 0.950 121.416 120.500 -0.057 0.000 2.072 177 R HA -0.039 4.301 4.340 -0.000 0.000 0.221 177 R C 2.267 178.544 176.300 -0.038 0.000 1.166 177 R CA 1.189 57.265 56.100 -0.040 0.000 0.917 177 R CB -1.051 29.229 30.300 -0.033 0.000 0.815 177 R HN 0.258 nan 8.270 nan 0.000 0.444 178 I N 1.427 121.973 120.570 -0.040 0.000 2.231 178 I HA -0.388 3.782 4.170 -0.000 0.000 0.251 178 I C 2.258 178.357 176.117 -0.030 0.000 1.076 178 I CA 2.166 63.447 61.300 -0.032 0.000 1.347 178 I CB -0.274 37.706 38.000 -0.033 0.000 1.038 178 I HN 0.496 nan 8.210 nan 0.000 0.429 179 E N -1.407 118.769 120.200 -0.040 0.000 2.949 179 E HA -0.021 4.328 4.350 -0.000 0.000 0.182 179 E C 1.897 178.479 176.600 -0.031 0.000 1.154 179 E CA 0.479 56.860 56.400 -0.032 0.000 1.205 179 E CB -0.570 29.109 29.700 -0.035 0.000 1.865 179 E HN 0.003 nan 8.360 nan 0.000 0.516 180 S N -0.137 115.540 115.700 -0.037 0.000 2.428 180 S HA -0.198 4.272 4.470 -0.000 0.000 0.240 180 S C 1.368 175.951 174.600 -0.027 0.000 1.036 180 S CA 2.207 60.388 58.200 -0.032 0.000 1.009 180 S CB -0.406 62.771 63.200 -0.038 0.000 0.803 180 S HN 0.486 nan 8.310 nan 0.000 0.486 181 T N -0.372 114.165 114.554 -0.028 0.000 3.330 181 T HA 0.196 4.546 4.350 -0.000 0.000 0.240 181 T C 1.462 176.150 174.700 -0.020 0.000 0.988 181 T CA 0.580 62.666 62.100 -0.023 0.000 1.253 181 T CB -0.299 68.554 68.868 -0.024 0.000 1.163 181 T HN 0.151 nan 8.240 nan 0.000 0.382 182 V N 2.107 122.009 119.914 -0.020 0.000 3.383 182 V HA 0.134 4.254 4.120 -0.000 0.000 0.272 182 V C 2.249 178.335 176.094 -0.014 0.000 1.181 182 V CA 1.323 63.614 62.300 -0.016 0.000 1.171 182 V CB -1.211 30.603 31.823 -0.015 0.000 0.800 182 V HN 0.537 nan 8.190 nan 0.000 0.515 183 A N 0.496 123.306 122.820 -0.015 0.000 1.993 183 A HA 0.326 4.646 4.320 -0.000 0.000 0.207 183 A C 2.210 179.787 177.584 -0.011 0.000 1.224 183 A CA 0.873 52.902 52.037 -0.012 0.000 0.749 183 A CB -0.440 18.552 19.000 -0.014 0.000 0.884 183 A HN 0.479 nan 8.150 nan 0.000 0.467 184 G N 0.272 109.065 108.800 -0.013 0.000 2.848 184 G HA2 0.094 4.054 3.960 -0.000 0.000 0.208 184 G HA3 0.094 4.054 3.960 -0.000 0.000 0.208 184 G C 1.570 176.463 174.900 -0.011 0.000 1.152 184 G CA 1.355 46.448 45.100 -0.011 0.000 0.789 184 G HN 0.693 nan 8.290 nan 0.000 0.531 185 S N 0.466 116.159 115.700 -0.011 0.000 2.371 185 S HA 0.103 4.573 4.470 -0.000 0.000 0.219 185 S C 1.969 176.564 174.600 -0.009 0.000 1.040 185 S CA -0.079 58.114 58.200 -0.011 0.000 0.958 185 S CB -0.435 62.758 63.200 -0.012 0.000 0.860 185 S HN 0.159 nan 8.310 nan 0.000 0.487 186 L N 1.313 122.532 121.223 -0.007 0.000 2.814 186 L HA 0.030 4.370 4.340 -0.000 0.000 0.248 186 L C 2.363 179.232 176.870 -0.002 0.000 1.169 186 L CA 0.188 55.026 54.840 -0.004 0.000 0.872 186 L CB -0.695 41.362 42.059 -0.003 0.000 1.029 186 L HN 0.290 nan 8.230 nan 0.000 0.452 187 R N 0.210 120.708 120.500 -0.003 0.000 2.023 187 R HA -0.016 4.324 4.340 -0.000 0.000 0.217 187 R C 2.542 178.842 176.300 0.000 0.000 1.255 187 R CA 1.443 57.542 56.100 -0.001 0.000 0.981 187 R CB -1.205 29.093 30.300 -0.003 0.000 0.853 187 R HN 0.346 nan 8.270 nan 0.000 0.463 188 S N 1.570 117.267 115.700 -0.006 0.000 2.387 188 S HA -0.171 4.299 4.470 -0.000 0.000 0.230 188 S C 2.169 176.764 174.600 -0.008 0.000 1.035 188 S CA 1.420 59.614 58.200 -0.010 0.000 1.014 188 S CB -0.288 62.899 63.200 -0.021 0.000 0.836 188 S HN 0.120 nan 8.310 nan 0.000 0.466 189 M N 1.762 121.358 119.600 -0.007 0.000 2.088 189 M HA -0.135 4.345 4.480 -0.000 0.000 0.256 189 M C 2.442 178.743 176.300 0.002 0.000 1.071 189 M CA 2.133 57.430 55.300 -0.005 0.000 1.097 189 M CB -1.097 31.500 32.600 -0.005 0.000 1.315 189 M HN 0.546 nan 8.290 nan 0.000 0.406 190 K N -0.179 120.225 120.400 0.005 0.000 2.314 190 K HA -0.051 4.269 4.320 -0.000 0.000 0.198 190 K C 2.142 178.755 176.600 0.022 0.000 1.045 190 K CA 1.108 57.402 56.287 0.012 0.000 0.988 190 K CB 0.208 32.713 32.500 0.009 0.000 0.783 190 K HN 0.345 nan 8.250 nan 0.000 0.484 191 S N -0.071 115.643 115.700 0.024 0.000 2.345 191 S HA -0.098 4.372 4.470 -0.000 0.000 0.219 191 S C 2.000 176.644 174.600 0.074 0.000 1.031 191 S CA 1.113 59.340 58.200 0.046 0.000 0.984 191 S CB -0.622 62.602 63.200 0.039 0.000 0.874 191 S HN 0.058 nan 8.310 nan 0.000 0.451 192 V N 2.903 122.834 119.914 0.029 0.000 2.252 192 V HA -0.205 3.915 4.120 -0.000 0.000 0.249 192 V C 2.699 178.825 176.094 0.054 0.000 1.056 192 V CA 2.259 64.562 62.300 0.005 0.000 1.022 192 V CB -1.031 30.769 31.823 -0.038 0.000 0.641 192 V HN 0.510 nan 8.190 nan 0.000 0.445 193 L N -0.494 120.751 121.223 0.036 0.000 2.042 193 L HA -0.235 4.104 4.340 -0.000 0.000 0.210 193 L C 2.548 179.448 176.870 0.051 0.000 1.076 193 L CA 1.890 56.752 54.840 0.036 0.000 0.749 193 L CB -0.725 41.346 42.059 0.020 0.000 0.893 193 L HN 0.439 nan 8.230 nan 0.000 0.432 194 E N -1.358 118.876 120.200 0.057 0.000 2.152 194 E HA -0.198 4.151 4.350 -0.000 0.000 0.192 194 E C 2.105 178.743 176.600 0.064 0.000 0.983 194 E CA 0.424 56.850 56.400 0.045 0.000 0.818 194 E CB -0.054 29.664 29.700 0.031 0.000 0.758 194 E HN 0.456 nan 8.360 nan 0.000 0.467 195 H N 1.191 120.257 119.070 -0.006 0.000 2.357 195 H HA -0.033 4.523 4.556 -0.000 0.000 0.301 195 H C 2.038 177.362 175.328 -0.006 0.000 1.082 195 H CA 1.114 57.158 56.048 -0.006 0.000 1.342 195 H CB 0.020 29.778 29.762 -0.007 0.000 1.389 195 H HN 0.138 nan 8.280 nan 0.000 0.511 196 L N 0.285 121.636 121.223 0.214 0.000 2.056 196 L HA -0.108 4.232 4.340 -0.000 0.000 0.207 196 L C 2.918 179.829 176.870 0.068 0.000 1.078 196 L CA 1.095 56.015 54.840 0.134 0.000 0.749 196 L CB -0.457 41.644 42.059 0.070 0.000 0.901 196 L HN 0.167 nan 8.230 nan 0.000 0.433 197 R N 0.533 121.060 120.500 0.045 0.000 2.211 197 R HA -0.207 4.133 4.340 -0.000 0.000 0.240 197 R C 2.014 178.315 176.300 0.003 0.000 1.144 197 R CA 1.315 57.427 56.100 0.019 0.000 0.992 197 R CB -0.068 30.240 30.300 0.012 0.000 0.869 197 R HN 0.390 nan 8.270 nan 0.000 0.462 198 A N 0.959 123.774 122.820 -0.009 0.000 1.850 198 A HA -0.105 4.215 4.320 -0.000 0.000 0.212 198 A C 1.983 179.551 177.584 -0.027 0.000 1.208 198 A CA 1.164 53.173 52.037 -0.047 0.000 0.609 198 A CB -0.423 18.498 19.000 -0.131 0.000 0.860 198 A HN 0.239 nan 8.150 nan 0.000 0.448 199 K N -0.029 120.373 120.400 0.003 0.000 2.077 199 K HA -0.162 4.158 4.320 -0.000 0.000 0.213 199 K C 1.880 178.488 176.600 0.013 0.000 1.051 199 K CA 2.438 58.740 56.287 0.026 0.000 0.929 199 K CB -0.444 32.103 32.500 0.079 0.000 0.715 199 K HN 0.503 nan 8.250 nan 0.000 0.451 200 M N -0.479 119.130 119.600 0.015 0.000 2.349 200 M HA -0.080 4.400 4.480 -0.000 0.000 0.266 200 M C 2.151 178.451 176.300 -0.000 0.000 1.076 200 M CA 1.203 56.508 55.300 0.008 0.000 1.126 200 M CB -0.064 32.542 32.600 0.011 0.000 1.392 200 M HN 0.178 nan 8.290 nan 0.000 0.440 201 Q N 1.680 121.477 119.800 -0.006 0.000 2.119 201 Q HA -0.139 4.201 4.340 -0.000 0.000 0.201 201 Q C 1.806 177.798 176.000 -0.014 0.000 0.972 201 Q CA 1.606 57.402 55.803 -0.011 0.000 0.847 201 Q CB -0.096 28.632 28.738 -0.017 0.000 0.903 201 Q HN 0.576 nan 8.270 nan 0.000 0.433 202 R N -1.356 119.134 120.500 -0.017 0.000 2.310 202 R HA 0.174 4.514 4.340 -0.000 0.000 0.202 202 R C 1.450 177.742 176.300 -0.014 0.000 0.933 202 R CA 0.593 56.682 56.100 -0.018 0.000 1.054 202 R CB 0.006 30.291 30.300 -0.025 0.000 0.985 202 R HN 0.259 nan 8.270 nan 0.000 0.489 203 M N 0.315 119.909 119.600 -0.009 0.000 2.691 203 M HA 0.063 4.543 4.480 -0.000 0.000 0.261 203 M C 1.955 178.251 176.300 -0.007 0.000 1.227 203 M CA 0.878 56.173 55.300 -0.007 0.000 1.197 203 M CB 0.238 32.836 32.600 -0.002 0.000 1.294 203 M HN 0.209 nan 8.290 nan 0.000 0.508 204 E N 0.989 121.185 120.200 -0.005 0.000 2.265 204 E HA -0.224 4.126 4.350 -0.000 0.000 0.196 204 E C 1.872 178.467 176.600 -0.007 0.000 0.996 204 E CA 0.963 57.360 56.400 -0.005 0.000 0.832 204 E CB 0.207 29.904 29.700 -0.003 0.000 0.756 204 E HN 0.349 nan 8.360 nan 0.000 0.491 205 E N 0.855 121.049 120.200 -0.009 0.000 2.033 205 E HA -0.160 4.190 4.350 -0.000 0.000 0.189 205 E C 1.928 178.521 176.600 -0.012 0.000 0.979 205 E CA 1.139 57.532 56.400 -0.011 0.000 0.802 205 E CB -0.299 29.393 29.700 -0.013 0.000 0.763 205 E HN 0.245 nan 8.360 nan 0.000 0.449 206 A N 2.002 124.814 122.820 -0.014 0.000 1.859 206 A HA -0.190 4.130 4.320 -0.000 0.000 0.217 206 A C 2.503 180.079 177.584 -0.013 0.000 1.198 206 A CA 2.080 54.108 52.037 -0.016 0.000 0.629 206 A CB -0.970 18.020 19.000 -0.018 0.000 0.830 206 A HN 0.376 nan 8.150 nan 0.000 0.446 207 I N -0.993 119.570 120.570 -0.010 0.000 2.286 207 I HA -0.225 3.945 4.170 -0.000 0.000 0.248 207 I C 2.447 178.559 176.117 -0.007 0.000 1.115 207 I CA 1.856 63.151 61.300 -0.008 0.000 1.392 207 I CB -0.217 37.780 38.000 -0.006 0.000 1.065 207 I HN 0.232 nan 8.210 nan 0.000 0.418 208 K N 0.561 120.957 120.400 -0.007 0.000 2.365 208 K HA -0.061 4.259 4.320 -0.000 0.000 0.199 208 K C 1.888 178.484 176.600 -0.007 0.000 1.045 208 K CA 1.209 57.492 56.287 -0.006 0.000 0.962 208 K CB -0.230 32.267 32.500 -0.005 0.000 0.759 208 K HN 0.125 nan 8.250 nan 0.000 0.469 209 T N -0.207 114.341 114.554 -0.009 0.000 2.814 209 T HA -0.079 4.271 4.350 -0.000 0.000 0.254 209 T C 1.486 176.180 174.700 -0.010 0.000 1.037 209 T CA 1.120 63.214 62.100 -0.010 0.000 1.143 209 T CB -0.186 68.674 68.868 -0.013 0.000 0.866 209 T HN 0.206 nan 8.240 nan 0.000 0.431 210 Q N 1.407 121.200 119.800 -0.011 0.000 2.181 210 Q HA -0.095 4.245 4.340 -0.000 0.000 0.205 210 Q C 2.040 178.036 176.000 -0.007 0.000 0.980 210 Q CA 1.647 57.443 55.803 -0.011 0.000 0.862 210 Q CB -0.256 28.475 28.738 -0.012 0.000 0.905 210 Q HN 0.244 nan 8.270 nan 0.000 0.429 211 K N 0.213 120.609 120.400 -0.006 0.000 2.074 211 K HA -0.197 4.123 4.320 -0.000 0.000 0.209 211 K C 1.631 178.229 176.600 -0.004 0.000 1.048 211 K CA 1.817 58.101 56.287 -0.004 0.000 0.926 211 K CB -0.126 32.372 32.500 -0.004 0.000 0.713 211 K HN 0.231 nan 8.250 nan 0.000 0.444 212 E N 0.588 120.785 120.200 -0.005 0.000 2.001 212 E HA -0.142 4.207 4.350 -0.000 0.000 0.193 212 E C 2.197 178.795 176.600 -0.004 0.000 0.994 212 E CA 1.305 57.702 56.400 -0.004 0.000 0.815 212 E CB -0.688 29.009 29.700 -0.005 0.000 0.770 212 E HN 0.305 nan 8.360 nan 0.000 0.453 213 L N 0.565 121.784 121.223 -0.006 0.000 2.103 213 L HA -0.236 4.104 4.340 -0.000 0.000 0.215 213 L C 2.294 179.162 176.870 -0.004 0.000 1.080 213 L CA 0.941 55.777 54.840 -0.006 0.000 0.764 213 L CB -0.456 41.597 42.059 -0.010 0.000 0.890 213 L HN 0.169 nan 8.230 nan 0.000 0.435 214 C N -0.826 118.473 119.300 -0.003 0.000 2.526 214 C HA -0.035 4.425 4.460 -0.000 0.000 0.286 214 C C 2.880 177.871 174.990 0.001 0.000 1.416 214 C CA 0.566 59.584 59.018 -0.000 0.000 1.671 214 C CB -1.531 26.209 27.740 -0.000 0.000 1.650 214 C HN 0.487 nan 8.230 nan 0.000 0.590 215 S N 0.705 116.405 115.700 0.000 0.000 2.383 215 S HA 0.019 4.489 4.470 -0.000 0.000 0.229 215 S C 0.916 175.517 174.600 0.003 0.000 1.030 215 S CA 1.408 59.609 58.200 0.001 0.000 1.002 215 S CB 0.015 63.216 63.200 0.000 0.000 0.829 215 S HN 0.694 nan 8.310 nan 0.000 0.467 216 A N 2.113 124.935 122.820 0.004 0.000 2.342 216 A HA 0.725 5.045 4.320 -0.000 0.000 0.323 216 A C -2.343 175.247 177.584 0.010 0.000 1.125 216 A CA -1.732 50.309 52.037 0.007 0.000 0.785 216 A CB 0.937 19.940 19.000 0.006 0.000 1.221 216 A HN 0.423 nan 8.150 nan 0.000 0.463 217 P HA 0.371 nan 4.420 nan 0.000 0.275 217 P C 0.101 177.417 177.300 0.028 0.000 1.266 217 P CA -0.237 62.876 63.100 0.021 0.000 0.793 217 P CB 0.449 32.162 31.700 0.022 0.000 1.074 218 C N -1.423 117.903 119.300 0.043 0.000 2.347 218 C HA 0.902 5.361 4.460 -0.000 0.000 0.366 218 C C 0.379 175.410 174.990 0.069 0.000 1.241 218 C CA -0.212 58.840 59.018 0.057 0.000 2.360 218 C CB 0.304 28.093 27.740 0.082 0.000 2.290 218 C HN 0.782 nan 8.230 nan 0.000 0.587 219 T N -1.430 113.172 114.554 0.080 0.000 2.932 219 T HA 0.621 4.971 4.350 -0.000 0.000 0.318 219 T C -0.900 173.859 174.700 0.098 0.000 1.265 219 T CA -0.503 61.642 62.100 0.075 0.000 1.036 219 T CB 0.868 69.765 68.868 0.048 0.000 1.209 219 T HN 1.926 nan 8.240 nan 0.000 0.484 220 V N 0.864 120.830 119.914 0.088 0.000 2.357 220 V HA 0.604 4.724 4.120 -0.000 0.000 0.284 220 V C -0.039 176.088 176.094 0.055 0.000 1.018 220 V CA -0.824 61.531 62.300 0.091 0.000 0.841 220 V CB 1.191 33.059 31.823 0.076 0.000 0.991 220 V HN 0.944 nan 8.190 nan 0.000 0.437 221 N N 2.115 120.845 118.700 0.050 0.000 2.214 221 N HA 0.127 4.867 4.740 -0.000 0.000 0.214 221 N C 0.752 176.277 175.510 0.026 0.000 1.132 221 N CA 0.228 53.297 53.050 0.033 0.000 0.856 221 N CB 0.771 39.275 38.487 0.028 0.000 1.020 221 N HN 0.944 nan 8.380 nan 0.000 0.509 222 c N 1.098 119.717 118.600 0.031 0.000 2.703 222 c HA 0.320 4.890 4.570 -0.000 0.000 0.411 222 c C 1.309 175.403 174.090 0.005 0.000 1.290 222 c CA -1.287 55.053 56.329 0.018 0.000 2.054 222 c CB -0.091 42.431 42.510 0.020 0.000 2.732 222 c HN 0.273 nan 8.230 nan 0.000 0.650 223 R N 1.105 121.598 120.500 -0.012 0.000 2.954 223 R HA 0.549 4.889 4.340 -0.000 0.000 0.276 223 R C 0.031 176.312 176.300 -0.031 0.000 1.218 223 R CA -0.266 55.818 56.100 -0.027 0.000 1.149 223 R CB 0.061 30.338 30.300 -0.039 0.000 1.112 223 R HN 0.851 nan 8.270 nan 0.000 0.577 224 V N 0.680 120.561 119.914 -0.054 0.000 2.577 224 V HA 0.431 4.551 4.120 -0.000 0.000 0.303 224 V C -2.487 173.547 176.094 -0.101 0.000 1.042 224 V CA -2.256 60.010 62.300 -0.057 0.000 0.872 224 V CB 1.731 33.492 31.823 -0.103 0.000 0.998 224 V HN 0.547 nan 8.190 nan 0.000 0.423 225 P HA 0.214 nan 4.420 nan 0.000 0.265 225 P C 0.822 178.076 177.300 -0.077 0.000 1.193 225 P CA -0.099 62.905 63.100 -0.161 0.000 0.765 225 P CB 1.309 32.793 31.700 -0.360 0.000 0.823 226 V N 3.075 122.955 119.914 -0.057 0.000 2.379 226 V HA -0.094 4.026 4.120 -0.000 0.000 0.245 226 V C 1.375 177.466 176.094 -0.004 0.000 1.044 226 V CA 0.936 63.212 62.300 -0.041 0.000 1.036 226 V CB -0.158 31.642 31.823 -0.038 0.000 0.664 226 V HN 0.410 nan 8.190 nan 0.000 0.453 227 V N 0.158 120.092 119.914 0.032 0.000 2.872 227 V HA 0.384 4.504 4.120 -0.000 0.000 0.307 227 V C 0.214 176.380 176.094 0.120 0.000 1.072 227 V CA 1.217 63.559 62.300 0.070 0.000 1.148 227 V CB 1.473 33.355 31.823 0.099 0.000 0.954 227 V HN 0.533 nan 8.190 nan 0.000 0.490 228 S N 2.763 118.506 115.700 0.071 0.000 2.703 228 S HA 0.894 5.363 4.470 -0.000 0.000 0.273 228 S C -0.472 174.133 174.600 0.008 0.000 1.178 228 S CA 0.146 58.385 58.200 0.064 0.000 0.838 228 S CB 1.289 64.522 63.200 0.054 0.000 1.178 228 S HN 1.712 nan 8.310 nan 0.000 0.494 229 G N 0.312 109.104 108.800 -0.014 0.000 2.428 229 G HA2 0.350 4.310 3.960 -0.000 0.000 0.305 229 G HA3 0.350 4.310 3.960 -0.000 0.000 0.305 229 G C 0.054 174.932 174.900 -0.037 0.000 1.260 229 G CA -0.050 45.036 45.100 -0.024 0.000 0.853 229 G HN 0.618 nan 8.290 nan 0.000 0.480 230 M N -0.702 118.890 119.600 -0.014 0.000 2.155 230 M HA 0.214 4.693 4.480 -0.000 0.000 0.258 230 M C 1.307 177.604 176.300 -0.004 0.000 1.092 230 M CA 1.072 56.371 55.300 -0.001 0.000 1.153 230 M CB -0.218 32.405 32.600 0.038 0.000 1.316 230 M HN 0.580 nan 8.290 nan 0.000 0.431 231 H N -1.983 117.044 119.070 -0.072 0.000 2.669 231 H HA 0.205 4.761 4.556 -0.000 0.000 0.318 231 H C 0.505 175.766 175.328 -0.112 0.000 1.429 231 H CA -0.638 55.362 56.048 -0.079 0.000 1.460 231 H CB 1.340 31.053 29.762 -0.082 0.000 1.784 231 H HN 0.194 nan 8.280 nan 0.000 0.750 232 c N 0.305 118.772 118.600 -0.222 0.000 2.485 232 c HA -0.001 4.569 4.570 -0.000 0.000 0.278 232 c C 2.457 176.546 174.090 -0.001 0.000 1.356 232 c CA 0.838 57.072 56.329 -0.159 0.000 1.747 232 c CB -0.583 41.810 42.510 -0.196 0.000 2.001 232 c HN 0.915 nan 8.230 nan 0.000 0.501 233 E N 2.103 122.442 120.200 0.231 0.000 2.070 233 E HA -0.258 4.092 4.350 -0.000 0.000 0.197 233 E C 1.467 178.083 176.600 0.027 0.000 1.004 233 E CA 2.200 58.612 56.400 0.021 0.000 0.805 233 E CB -0.437 29.153 29.700 -0.184 0.000 0.744 233 E HN 0.553 nan 8.360 nan 0.000 0.451 234 D N -0.571 119.848 120.400 0.031 0.000 2.123 234 D HA -0.133 4.507 4.640 -0.000 0.000 0.196 234 D C 1.917 178.207 176.300 -0.016 0.000 0.992 234 D CA 1.542 55.543 54.000 0.002 0.000 0.833 234 D CB -0.143 40.662 40.800 0.008 0.000 0.954 234 D HN 0.336 nan 8.370 nan 0.000 0.455 235 I N -0.463 120.076 120.570 -0.051 0.000 2.226 235 I HA -0.275 3.895 4.170 -0.000 0.000 0.245 235 I C 1.970 178.036 176.117 -0.086 0.000 1.100 235 I CA 0.821 62.052 61.300 -0.114 0.000 1.374 235 I CB -0.355 37.458 38.000 -0.312 0.000 1.057 235 I HN 0.141 nan 8.210 nan 0.000 0.413 236 Y N 2.262 122.458 120.300 -0.173 0.000 2.097 236 Y HA -0.293 4.257 4.550 -0.000 0.000 0.282 236 Y C 2.653 178.499 175.900 -0.090 0.000 1.152 236 Y CA 1.733 59.753 58.100 -0.132 0.000 1.136 236 Y CB -0.318 38.067 38.460 -0.126 0.000 0.975 236 Y HN 0.009 nan 8.280 nan 0.000 0.498 237 R N 0.072 120.593 120.500 0.036 0.000 2.249 237 R HA -0.171 4.169 4.340 -0.000 0.000 0.230 237 R C 1.002 177.252 176.300 -0.083 0.000 1.121 237 R CA 1.537 57.619 56.100 -0.030 0.000 0.997 237 R CB -0.594 29.706 30.300 -0.001 0.000 0.867 237 R HN 0.562 nan 8.270 nan 0.000 0.465 238 N N -0.761 117.887 118.700 -0.087 0.000 2.214 238 N HA 0.108 4.848 4.740 -0.000 0.000 0.214 238 N C 0.438 175.896 175.510 -0.086 0.000 1.132 238 N CA 0.206 53.213 53.050 -0.072 0.000 0.856 238 N CB 1.444 39.907 38.487 -0.041 0.000 1.020 238 N HN 0.323 nan 8.380 nan 0.000 0.509 239 G N 0.461 109.169 108.800 -0.153 0.000 2.195 239 G HA2 -0.224 3.736 3.960 -0.000 0.000 0.224 239 G HA3 -0.224 3.736 3.960 -0.000 0.000 0.224 239 G C 0.434 175.267 174.900 -0.111 0.000 0.990 239 G CA -0.295 44.718 45.100 -0.145 0.000 0.639 239 G HN 0.396 nan 8.290 nan 0.000 0.514 240 G N 0.184 108.933 108.800 -0.083 0.000 2.428 240 G HA2 0.482 4.442 3.960 -0.000 0.000 0.293 240 G HA3 0.482 4.442 3.960 -0.000 0.000 0.293 240 G C 0.793 175.662 174.900 -0.052 0.000 1.059 240 G CA -0.193 44.917 45.100 0.017 0.000 1.194 240 G HN 0.232 nan 8.290 nan 0.000 0.435 241 R N 1.138 121.639 120.500 0.001 0.000 2.404 241 R HA 0.104 4.444 4.340 -0.000 0.000 0.237 241 R C 1.166 177.535 176.300 0.115 0.000 0.907 241 R CA 0.119 56.227 56.100 0.013 0.000 1.063 241 R CB -0.153 30.098 30.300 -0.083 0.000 1.134 241 R HN 0.606 nan 8.270 nan 0.000 0.529 242 T N -1.095 113.546 114.554 0.144 0.000 2.909 242 T HA 0.454 4.804 4.350 -0.000 0.000 0.286 242 T C 0.311 175.121 174.700 0.182 0.000 1.002 242 T CA -0.459 61.724 62.100 0.138 0.000 1.074 242 T CB 2.133 71.057 68.868 0.095 0.000 0.984 242 T HN -0.195 nan 8.240 nan 0.000 0.495 243 S N 2.834 118.616 115.700 0.137 0.000 2.439 243 S HA 0.464 4.934 4.470 -0.000 0.000 0.282 243 S C 0.076 174.638 174.600 -0.064 0.000 1.170 243 S CA -0.716 57.547 58.200 0.106 0.000 1.054 243 S CB -0.213 63.126 63.200 0.232 0.000 0.956 243 S HN 0.906 nan 8.310 nan 0.000 0.490 244 E N 1.231 121.194 120.200 -0.396 0.000 2.388 244 E HA 0.564 4.914 4.350 -0.000 0.000 0.269 244 E C -1.420 174.728 176.600 -0.754 0.000 1.172 244 E CA -1.364 54.643 56.400 -0.655 0.000 0.887 244 E CB 0.492 30.019 29.700 -0.288 0.000 1.544 244 E HN 0.460 nan 8.360 nan 0.000 0.451 245 A N 0.677 123.182 122.820 -0.525 0.000 2.454 245 A HA 0.501 4.821 4.320 -0.000 0.000 0.260 245 A C -1.385 176.025 177.584 -0.290 0.000 1.106 245 A CA 0.241 52.094 52.037 -0.306 0.000 0.780 245 A CB -0.457 18.440 19.000 -0.173 0.000 1.044 245 A HN 0.433 nan 8.150 nan 0.000 0.498 246 Y N -0.003 120.173 120.300 -0.207 0.000 2.662 246 Y HA 0.562 5.112 4.550 -0.000 0.000 0.335 246 Y C -0.736 175.093 175.900 -0.119 0.000 1.066 246 Y CA -0.601 57.439 58.100 -0.100 0.000 1.116 246 Y CB 1.522 39.916 38.460 -0.109 0.000 1.308 246 Y HN 0.604 nan 8.280 nan 0.000 0.502 247 Y N 2.099 122.420 120.300 0.034 0.000 2.352 247 Y HA 0.622 5.172 4.550 -0.000 0.000 0.339 247 Y C -0.069 175.757 175.900 -0.123 0.000 0.992 247 Y CA -1.011 57.047 58.100 -0.069 0.000 1.100 247 Y CB 1.337 39.756 38.460 -0.069 0.000 1.192 247 Y HN 0.355 nan 8.280 nan 0.000 0.458 248 I N 0.158 120.608 120.570 -0.200 0.000 3.002 248 I HA 0.684 4.854 4.170 -0.000 0.000 0.310 248 I C -1.133 174.754 176.117 -0.384 0.000 1.087 248 I CA -1.193 59.941 61.300 -0.277 0.000 1.017 248 I CB 2.568 40.350 38.000 -0.363 0.000 1.226 248 I HN 0.562 nan 8.210 nan 0.000 0.443 249 Q N 3.898 123.560 119.800 -0.229 0.000 3.412 249 Q HA 0.385 4.725 4.340 -0.000 0.000 0.219 249 Q C -2.396 173.576 176.000 -0.047 0.000 0.913 249 Q CA -1.497 54.220 55.803 -0.143 0.000 0.722 249 Q CB 1.721 30.433 28.738 -0.045 0.000 1.385 249 Q HN 0.575 nan 8.270 nan 0.000 0.461 250 P HA -0.011 nan 4.420 nan 0.000 0.220 250 P C -0.577 176.805 177.300 0.136 0.000 1.152 250 P CA 0.703 63.846 63.100 0.072 0.000 0.812 250 P CB 0.424 32.192 31.700 0.114 0.000 0.792 251 D N -0.088 120.423 120.400 0.185 0.000 2.381 251 D HA 0.171 4.810 4.640 -0.000 0.000 0.235 251 D C 1.179 177.646 176.300 0.278 0.000 1.068 251 D CA -0.453 53.730 54.000 0.305 0.000 0.832 251 D CB 0.993 42.074 40.800 0.467 0.000 1.101 251 D HN -0.233 nan 8.370 nan 0.000 0.515 252 L N 2.228 123.609 121.223 0.263 0.000 2.450 252 L HA -0.084 4.256 4.340 -0.000 0.000 0.224 252 L C 1.309 178.339 176.870 0.266 0.000 1.149 252 L CA 1.178 56.137 54.840 0.199 0.000 0.816 252 L CB -0.609 41.532 42.059 0.136 0.000 0.932 252 L HN 0.544 nan 8.230 nan 0.000 0.449 253 F N -2.214 117.767 119.950 0.052 0.000 2.664 253 F HA 0.389 4.916 4.527 -0.000 0.000 0.303 253 F C 0.492 176.329 175.800 0.062 0.000 1.092 253 F CA -1.152 56.879 58.000 0.052 0.000 1.305 253 F CB -0.628 38.402 39.000 0.050 0.000 1.054 253 F HN -0.189 nan 8.300 nan 0.000 0.565 254 S N 1.018 116.589 115.700 -0.215 0.000 2.526 254 S HA 0.349 4.819 4.470 -0.000 0.000 0.293 254 S C -0.457 174.117 174.600 -0.043 0.000 1.092 254 S CA -0.831 57.200 58.200 -0.282 0.000 0.980 254 S CB 1.860 64.853 63.200 -0.345 0.000 1.048 254 S HN 0.079 nan 8.310 nan 0.000 0.483 255 E N 1.942 122.134 120.200 -0.014 0.000 2.422 255 E HA 0.176 4.525 4.350 -0.000 0.000 0.260 255 E C -2.365 174.296 176.600 0.102 0.000 1.108 255 E CA -1.552 54.876 56.400 0.046 0.000 0.943 255 E CB -0.343 29.387 29.700 0.051 0.000 0.961 255 E HN 0.261 nan 8.360 nan 0.000 0.443 256 P HA 0.142 nan 4.420 nan 0.000 0.278 256 P C -1.097 176.297 177.300 0.157 0.000 1.238 256 P CA 0.021 63.155 63.100 0.056 0.000 0.794 256 P CB 0.250 32.012 31.700 0.102 0.000 0.955 257 Y N -1.182 119.123 120.300 0.009 0.000 2.545 257 Y HA 0.590 5.140 4.550 -0.000 0.000 0.348 257 Y C -0.048 175.587 175.900 -0.441 0.000 1.002 257 Y CA -1.809 56.188 58.100 -0.171 0.000 1.039 257 Y CB 1.210 39.581 38.460 -0.150 0.000 1.271 257 Y HN 0.109 nan 8.280 nan 0.000 0.467 258 K N 1.857 121.921 120.400 -0.560 0.000 2.350 258 K HA 0.539 4.858 4.320 -0.000 0.000 0.279 258 K C -1.418 175.007 176.600 -0.292 0.000 1.027 258 K CA -0.313 55.544 56.287 -0.716 0.000 0.969 258 K CB 0.861 32.941 32.500 -0.699 0.000 0.954 258 K HN 0.744 nan 8.250 nan 0.000 0.474 259 V N 5.168 124.945 119.914 -0.229 0.000 3.120 259 V HA 0.397 4.517 4.120 -0.000 0.000 0.303 259 V C -1.791 174.303 176.094 -0.001 0.000 1.238 259 V CA -0.960 61.281 62.300 -0.099 0.000 1.008 259 V CB 1.748 33.581 31.823 0.016 0.000 1.064 259 V HN 0.738 nan 8.190 nan 0.000 0.434 260 F N 5.023 124.983 119.950 0.017 0.000 2.391 260 F HA 0.585 5.112 4.527 -0.000 0.000 0.359 260 F C 0.216 176.087 175.800 0.119 0.000 1.122 260 F CA -0.233 57.833 58.000 0.109 0.000 1.120 260 F CB 0.545 39.663 39.000 0.196 0.000 1.142 260 F HN 0.547 nan 8.300 nan 0.000 0.483 261 c N 5.195 123.759 118.600 -0.060 0.000 2.388 261 c HA 0.252 4.822 4.570 -0.000 0.000 0.362 261 c C -0.118 174.060 174.090 0.147 0.000 1.266 261 c CA -0.725 55.613 56.329 0.015 0.000 2.028 261 c CB 0.609 42.978 42.510 -0.235 0.000 2.440 261 c HN 0.651 nan 8.230 nan 0.000 0.547 262 D N 3.499 124.054 120.400 0.258 0.000 2.454 262 D HA 0.255 4.895 4.640 -0.000 0.000 0.225 262 D C 0.381 176.807 176.300 0.210 0.000 1.081 262 D CA -0.252 53.924 54.000 0.293 0.000 0.864 262 D CB 0.793 41.761 40.800 0.281 0.000 1.040 262 D HN 0.412 nan 8.370 nan 0.000 0.517 263 M N 2.214 121.909 119.600 0.158 0.000 2.428 263 M HA 0.122 4.602 4.480 -0.000 0.000 0.239 263 M C 0.972 177.349 176.300 0.129 0.000 1.121 263 M CA 0.303 55.687 55.300 0.138 0.000 1.019 263 M CB 0.110 32.828 32.600 0.197 0.000 1.485 263 M HN 0.348 nan 8.290 nan 0.000 0.484 264 E N 0.224 120.495 120.200 0.118 0.000 2.110 264 E HA 0.106 4.456 4.350 -0.000 0.000 0.193 264 E C 0.416 177.021 176.600 0.008 0.000 0.950 264 E CA 0.125 56.566 56.400 0.069 0.000 0.840 264 E CB 0.262 30.001 29.700 0.064 0.000 0.809 264 E HN 0.181 nan 8.360 nan 0.000 0.465 265 S N 1.317 117.015 115.700 -0.005 0.000 2.566 265 S HA -0.045 4.424 4.470 -0.000 0.000 0.280 265 S C -0.097 174.466 174.600 -0.061 0.000 1.343 265 S CA -0.204 57.903 58.200 -0.156 0.000 1.036 265 S CB 0.061 63.165 63.200 -0.160 0.000 0.866 265 S HN 0.331 nan 8.310 nan 0.000 0.526 266 H N 0.812 119.815 119.070 -0.111 0.000 2.151 266 H HA -0.250 4.305 4.556 -0.000 0.000 0.329 266 H C 1.455 176.872 175.328 0.148 0.000 0.945 266 H CA 0.924 56.962 56.048 -0.018 0.000 1.093 266 H CB -1.834 27.884 29.762 -0.073 0.000 1.568 266 H HN 1.186 nan 8.280 nan 0.000 0.360 267 G N -1.462 107.367 108.800 0.050 0.000 2.176 267 G HA2 -0.093 3.867 3.960 -0.000 0.000 0.253 267 G HA3 -0.093 3.867 3.960 -0.000 0.000 0.253 267 G C 0.917 175.650 174.900 -0.279 0.000 0.979 267 G CA 0.817 45.870 45.100 -0.079 0.000 0.641 267 G HN 1.595 nan 8.290 nan 0.000 0.530 268 G N -0.918 107.840 108.800 -0.070 0.000 2.806 268 G HA2 0.407 4.367 3.960 -0.000 0.000 0.236 268 G HA3 0.407 4.367 3.960 -0.000 0.000 0.236 268 G C 1.665 176.286 174.900 -0.464 0.000 1.387 268 G CA 1.400 46.394 45.100 -0.178 0.000 0.884 268 G HN 2.528 nan 8.290 nan 0.000 0.560 269 G N -2.573 106.015 108.800 -0.353 0.000 2.143 269 G HA2 -0.208 3.752 3.960 -0.000 0.000 0.249 269 G HA3 -0.208 3.752 3.960 -0.000 0.000 0.249 269 G C 0.348 175.090 174.900 -0.263 0.000 0.981 269 G CA 0.966 45.872 45.100 -0.324 0.000 0.665 269 G HN 1.458 nan 8.290 nan 0.000 0.528 270 W N 1.207 122.489 121.300 -0.030 0.000 2.358 270 W HA 0.561 5.221 4.660 -0.000 0.000 0.307 270 W C 0.530 177.029 176.519 -0.033 0.000 1.203 270 W CA -0.406 56.942 57.345 0.005 0.000 1.279 270 W CB 1.076 30.525 29.460 -0.018 0.000 1.264 270 W HN 0.022 nan 8.180 nan 0.000 0.474 271 T N 3.729 118.362 114.554 0.132 0.000 2.723 271 T HA 0.187 4.537 4.350 -0.000 0.000 0.297 271 T C 0.115 174.857 174.700 0.070 0.000 0.925 271 T CA -0.574 61.502 62.100 -0.039 0.000 1.030 271 T CB 0.265 68.912 68.868 -0.367 0.000 0.905 271 T HN 0.049 nan 8.240 nan 0.000 0.502 272 V N 5.230 125.224 119.914 0.133 0.000 2.479 272 V HA 0.034 4.154 4.120 -0.000 0.000 0.281 272 V C 1.239 177.338 176.094 0.007 0.000 1.031 272 V CA 0.198 62.532 62.300 0.057 0.000 1.038 272 V CB 0.914 32.811 31.823 0.124 0.000 0.981 272 V HN 0.811 nan 8.190 nan 0.000 0.478 273 V N 3.481 123.287 119.914 -0.179 0.000 3.431 273 V HA 0.174 4.293 4.120 -0.000 0.000 0.253 273 V C 0.476 176.259 176.094 -0.518 0.000 1.184 273 V CA 0.775 62.902 62.300 -0.288 0.000 1.104 273 V CB 0.274 31.892 31.823 -0.341 0.000 0.799 273 V HN 0.903 nan 8.190 nan 0.000 0.462 274 Q N 0.773 120.285 119.800 -0.479 0.000 2.391 274 Q HA 0.393 4.733 4.340 -0.000 0.000 0.279 274 Q C -2.158 173.613 176.000 -0.381 0.000 1.028 274 Q CA -0.377 55.218 55.803 -0.347 0.000 0.836 274 Q CB 2.677 31.478 28.738 0.106 0.000 1.414 274 Q HN 0.366 nan 8.270 nan 0.000 0.397 275 N N 1.430 119.933 118.700 -0.329 0.000 2.554 275 N HA 0.356 5.096 4.740 -0.000 0.000 0.271 275 N C -1.874 173.539 175.510 -0.162 0.000 1.081 275 N CA -0.332 52.542 53.050 -0.293 0.000 0.994 275 N CB 1.118 39.330 38.487 -0.458 0.000 1.641 275 N HN 0.457 nan 8.380 nan 0.000 0.511 276 R N 2.437 122.847 120.500 -0.150 0.000 2.664 276 R HA 0.706 5.046 4.340 -0.000 0.000 0.286 276 R C -0.353 175.891 176.300 -0.094 0.000 0.967 276 R CA -0.747 55.271 56.100 -0.136 0.000 0.933 276 R CB 1.329 31.572 30.300 -0.095 0.000 1.146 276 R HN 0.401 nan 8.270 nan 0.000 0.468 277 V N 0.199 120.027 119.914 -0.143 0.000 4.217 277 V HA 0.043 4.163 4.120 -0.000 0.000 0.321 277 V C -1.901 174.078 176.094 -0.192 0.000 1.783 277 V CA 0.495 62.725 62.300 -0.118 0.000 1.458 277 V CB 0.174 31.937 31.823 -0.100 0.000 1.027 277 V HN 1.017 nan 8.190 nan 0.000 0.368 278 D N -1.129 118.959 120.400 -0.519 0.000 2.706 278 D HA 0.312 4.952 4.640 -0.000 0.000 0.229 278 D C 0.287 176.170 176.300 -0.695 0.000 1.145 278 D CA 0.218 53.916 54.000 -0.503 0.000 0.746 278 D CB 0.413 41.189 40.800 -0.040 0.000 2.093 278 D HN 0.147 nan 8.370 nan 0.000 0.473 279 G N 0.405 108.787 108.800 -0.698 0.000 3.211 279 G HA2 0.197 4.156 3.960 -0.000 0.000 0.235 279 G HA3 0.197 4.156 3.960 -0.000 0.000 0.235 279 G C 0.980 175.866 174.900 -0.023 0.000 1.032 279 G CA 0.323 45.258 45.100 -0.274 0.000 1.819 279 G HN 0.627 nan 8.290 nan 0.000 0.590 280 S N -1.067 114.637 115.700 0.007 0.000 2.522 280 S HA 0.209 4.679 4.470 -0.000 0.000 0.227 280 S C 0.924 175.629 174.600 0.175 0.000 0.986 280 S CA 0.098 58.369 58.200 0.117 0.000 0.929 280 S CB 0.295 63.617 63.200 0.203 0.000 0.769 280 S HN 0.148 nan 8.310 nan 0.000 0.529 281 S N 1.941 117.776 115.700 0.225 0.000 2.541 281 S HA 0.484 4.954 4.470 -0.000 0.000 0.280 281 S C -1.043 173.742 174.600 0.309 0.000 1.112 281 S CA -0.875 57.475 58.200 0.250 0.000 0.925 281 S CB 1.496 64.868 63.200 0.287 0.000 1.067 281 S HN 0.435 nan 8.310 nan 0.000 0.479 282 N N 0.782 119.550 118.700 0.112 0.000 2.488 282 N HA 0.312 5.051 4.740 -0.000 0.000 0.274 282 N C -0.617 174.853 175.510 -0.066 0.000 1.111 282 N CA -0.337 52.747 53.050 0.057 0.000 0.974 282 N CB 0.091 38.518 38.487 -0.100 0.000 1.089 282 N HN 0.501 nan 8.380 nan 0.000 0.465 283 F N 1.104 121.036 119.950 -0.031 0.000 2.678 283 F HA 0.381 4.908 4.527 -0.000 0.000 0.305 283 F C 1.317 177.087 175.800 -0.051 0.000 1.090 283 F CA -0.335 57.688 58.000 0.038 0.000 1.272 283 F CB 0.073 39.222 39.000 0.248 0.000 1.060 283 F HN 0.583 nan 8.300 nan 0.000 0.576 284 A N 1.812 124.618 122.820 -0.023 0.000 3.063 284 A HA 0.389 4.709 4.320 -0.000 0.000 0.263 284 A C 0.288 177.655 177.584 -0.362 0.000 1.736 284 A CA -0.268 51.704 52.037 -0.107 0.000 1.408 284 A CB -0.716 18.194 19.000 -0.150 0.000 1.108 284 A HN -0.039 nan 8.150 nan 0.000 0.621 285 R N 1.072 121.394 120.500 -0.297 0.000 2.778 285 R HA 0.396 4.736 4.340 -0.000 0.000 0.277 285 R C -0.613 175.706 176.300 0.032 0.000 0.977 285 R CA -0.815 55.038 56.100 -0.410 0.000 0.950 285 R CB 0.795 30.526 30.300 -0.948 0.000 1.165 285 R HN 0.647 nan 8.270 nan 0.000 0.474 286 D N 0.105 120.564 120.400 0.098 0.000 2.372 286 D HA -0.123 4.517 4.640 -0.000 0.000 0.243 286 D C 0.961 177.505 176.300 0.406 0.000 1.297 286 D CA -0.449 53.785 54.000 0.389 0.000 0.958 286 D CB 0.628 41.651 40.800 0.372 0.000 1.114 286 D HN 0.532 nan 8.370 nan 0.000 0.496 287 W N 0.641 122.101 121.300 0.266 0.000 2.358 287 W HA -0.216 4.443 4.660 -0.000 0.000 0.303 287 W C 1.342 177.979 176.519 0.196 0.000 1.208 287 W CA 1.689 59.179 57.345 0.242 0.000 1.274 287 W CB -0.465 29.114 29.460 0.198 0.000 1.138 287 W HN 0.490 nan 8.180 nan 0.000 0.515 288 N N -0.626 118.272 118.700 0.330 0.000 2.104 288 N HA -0.184 4.555 4.740 -0.000 0.000 0.190 288 N C 1.672 177.223 175.510 0.068 0.000 1.024 288 N CA 2.716 55.879 53.050 0.188 0.000 0.853 288 N CB -0.558 38.038 38.487 0.182 0.000 1.008 288 N HN -0.061 nan 8.380 nan 0.000 0.424 289 T N -0.332 114.255 114.554 0.056 0.000 2.777 289 T HA -0.115 4.235 4.350 -0.000 0.000 0.266 289 T C 1.400 176.132 174.700 0.052 0.000 1.040 289 T CA 0.974 63.068 62.100 -0.010 0.000 1.141 289 T CB -0.377 68.385 68.868 -0.178 0.000 0.868 289 T HN 0.265 nan 8.240 nan 0.000 0.444 290 Y N 1.409 121.691 120.300 -0.030 0.000 2.421 290 Y HA 0.043 4.593 4.550 -0.000 0.000 0.292 290 Y C 2.419 178.217 175.900 -0.169 0.000 1.136 290 Y CA 0.775 58.828 58.100 -0.078 0.000 1.255 290 Y CB -0.036 38.209 38.460 -0.360 0.000 0.991 290 Y HN 0.095 nan 8.280 nan 0.000 0.552 291 K N -0.310 119.998 120.400 -0.153 0.000 2.076 291 K HA -0.051 4.269 4.320 -0.000 0.000 0.204 291 K C 2.168 178.710 176.600 -0.098 0.000 1.051 291 K CA 0.999 57.141 56.287 -0.243 0.000 0.949 291 K CB -0.119 32.253 32.500 -0.215 0.000 0.726 291 K HN 0.189 nan 8.250 nan 0.000 0.443 292 A N 0.824 123.627 122.820 -0.029 0.000 1.930 292 A HA -0.039 4.281 4.320 -0.000 0.000 0.215 292 A C 0.274 177.831 177.584 -0.045 0.000 1.176 292 A CA 1.165 53.184 52.037 -0.031 0.000 0.632 292 A CB -0.080 18.917 19.000 -0.004 0.000 0.819 292 A HN 0.604 nan 8.150 nan 0.000 0.445 293 E N -2.895 117.329 120.200 0.040 0.000 6.068 293 E HA 0.076 4.425 4.350 -0.000 0.000 0.553 293 E C -1.437 175.219 176.600 0.093 0.000 1.217 293 E CA 0.337 56.739 56.400 0.004 0.000 3.042 293 E CB -0.998 28.616 29.700 -0.143 0.000 0.783 293 E HN 0.945 nan 8.360 nan 0.000 0.262 294 F N 0.192 120.089 119.950 -0.088 0.000 2.719 294 F HA 0.777 5.304 4.527 -0.000 0.000 0.309 294 F C 0.054 175.778 175.800 -0.126 0.000 1.138 294 F CA 0.379 58.283 58.000 -0.160 0.000 0.943 294 F CB 1.140 39.971 39.000 -0.281 0.000 1.304 294 F HN 1.062 nan 8.300 nan 0.000 0.445 295 G N 1.616 110.495 108.800 0.131 0.000 2.483 295 G HA2 0.064 4.024 3.960 -0.000 0.000 0.521 295 G HA3 0.064 4.024 3.960 -0.000 0.000 0.521 295 G C -2.182 172.711 174.900 -0.012 0.000 1.278 295 G CA -0.931 44.215 45.100 0.077 0.000 0.965 295 G HN 0.969 nan 8.290 nan 0.000 0.504 296 N N -0.087 118.598 118.700 -0.026 0.000 2.392 296 N HA 0.488 5.228 4.740 -0.000 0.000 0.283 296 N C 1.156 176.512 175.510 -0.258 0.000 1.003 296 N CA -0.707 52.215 53.050 -0.214 0.000 0.892 296 N CB 1.714 39.957 38.487 -0.407 0.000 1.193 296 N HN 0.329 nan 8.380 nan 0.000 0.487 297 I N 1.529 121.851 120.570 -0.412 0.000 2.252 297 I HA -0.042 4.128 4.170 -0.000 0.000 0.245 297 I C 1.018 177.072 176.117 -0.105 0.000 1.102 297 I CA 1.064 62.077 61.300 -0.479 0.000 1.385 297 I CB -0.261 37.434 38.000 -0.508 0.000 1.064 297 I HN 0.654 nan 8.210 nan 0.000 0.414 298 A N -1.960 120.712 122.820 -0.246 0.000 2.586 298 A HA 0.634 4.954 4.320 -0.000 0.000 0.291 298 A C -1.508 175.854 177.584 -0.370 0.000 1.062 298 A CA -0.588 51.345 52.037 -0.172 0.000 0.666 298 A CB 0.368 19.476 19.000 0.181 0.000 1.281 298 A HN -0.085 nan 8.150 nan 0.000 0.421 299 F N 0.201 120.210 119.950 0.100 0.000 2.556 299 F HA 0.634 5.161 4.527 -0.000 0.000 0.327 299 F C 1.235 177.070 175.800 0.058 0.000 1.059 299 F CA -0.276 57.762 58.000 0.063 0.000 0.953 299 F CB 1.723 40.756 39.000 0.054 0.000 1.227 299 F HN 0.802 nan 8.300 nan 0.000 0.478 300 G N 1.217 110.170 108.800 0.256 0.000 2.313 300 G HA2 0.051 4.011 3.960 -0.000 0.000 0.250 300 G HA3 0.051 4.011 3.960 -0.000 0.000 0.250 300 G C 0.675 175.649 174.900 0.124 0.000 1.281 300 G CA -0.479 44.706 45.100 0.141 0.000 0.917 300 G HN 0.764 nan 8.290 nan 0.000 0.501 301 N N 1.961 120.719 118.700 0.097 0.000 2.521 301 N HA 0.091 4.831 4.740 -0.000 0.000 0.188 301 N C 1.426 176.969 175.510 0.056 0.000 1.146 301 N CA 1.065 54.165 53.050 0.082 0.000 0.893 301 N CB 0.278 38.809 38.487 0.072 0.000 0.975 301 N HN 0.980 nan 8.380 nan 0.000 0.451 302 G N 0.214 109.043 108.800 0.049 0.000 2.491 302 G HA2 -0.270 3.690 3.960 -0.000 0.000 0.203 302 G HA3 -0.270 3.690 3.960 -0.000 0.000 0.203 302 G C 0.926 175.842 174.900 0.026 0.000 1.052 302 G CA 0.227 45.347 45.100 0.034 0.000 0.675 302 G HN 0.322 nan 8.290 nan 0.000 0.504 303 K N 0.538 120.952 120.400 0.024 0.000 2.051 303 K HA 0.475 4.795 4.320 -0.000 0.000 0.212 303 K C 1.230 177.839 176.600 0.015 0.000 1.032 303 K CA 1.451 57.748 56.287 0.015 0.000 0.982 303 K CB -0.653 31.853 32.500 0.010 0.000 1.002 303 K HN 0.419 nan 8.250 nan 0.000 0.452 304 S N -0.026 115.681 115.700 0.011 0.000 2.883 304 S HA 0.210 4.680 4.470 -0.000 0.000 0.227 304 S C -0.303 174.297 174.600 -0.001 0.000 0.779 304 S CA -0.479 57.727 58.200 0.010 0.000 1.232 304 S CB 0.209 63.411 63.200 0.002 0.000 1.314 304 S HN 0.367 nan 8.310 nan 0.000 0.554 305 I N -0.900 119.670 120.570 0.000 0.000 2.330 305 I HA 0.536 4.706 4.170 -0.000 0.000 0.289 305 I C -0.147 175.971 176.117 0.003 0.000 1.001 305 I CA -0.673 60.614 61.300 -0.022 0.000 1.193 305 I CB 0.977 38.958 38.000 -0.031 0.000 1.345 305 I HN -0.021 nan 8.210 nan 0.000 0.461 306 c N 6.400 124.990 118.600 -0.017 0.000 2.485 306 c HA 0.151 4.721 4.570 -0.000 0.000 0.408 306 c C 1.364 175.474 174.090 0.034 0.000 1.034 306 c CA -0.249 56.094 56.329 0.024 0.000 1.267 306 c CB -2.124 40.383 42.510 -0.005 0.000 1.703 306 c HN 0.919 nan 8.230 nan 0.000 0.530 307 N N 0.864 119.627 118.700 0.106 0.000 2.177 307 N HA 0.180 4.920 4.740 -0.000 0.000 0.218 307 N C -0.258 175.462 175.510 0.351 0.000 1.182 307 N CA -0.023 53.131 53.050 0.175 0.000 0.882 307 N CB -0.021 38.524 38.487 0.096 0.000 1.052 307 N HN 0.538 nan 8.380 nan 0.000 0.519 308 I N 2.732 123.486 120.570 0.306 0.000 2.310 308 I HA 0.272 4.442 4.170 -0.000 0.000 0.287 308 I C -2.113 174.156 176.117 0.253 0.000 1.073 308 I CA -2.339 59.124 61.300 0.272 0.000 1.216 308 I CB 0.878 39.038 38.000 0.267 0.000 1.415 308 I HN -0.101 nan 8.210 nan 0.000 0.480 309 P HA -0.001 nan 4.420 nan 0.000 0.265 309 P C 0.020 177.267 177.300 -0.088 0.000 1.187 309 P CA 0.300 63.210 63.100 -0.317 0.000 0.766 309 P CB 1.117 32.252 31.700 -0.941 0.000 0.820 310 G N 1.995 110.730 108.800 -0.109 0.000 2.932 310 G HA2 0.343 4.303 3.960 -0.000 0.000 0.283 310 G HA3 0.343 4.303 3.960 -0.000 0.000 0.283 310 G C -0.866 174.070 174.900 0.060 0.000 1.336 310 G CA -0.624 44.440 45.100 -0.060 0.000 1.056 310 G HN 0.442 nan 8.290 nan 0.000 0.522 311 E N 0.081 120.365 120.200 0.140 0.000 2.194 311 E HA 0.423 4.773 4.350 -0.000 0.000 0.284 311 E C -1.289 175.475 176.600 0.272 0.000 1.035 311 E CA -0.033 56.493 56.400 0.210 0.000 0.836 311 E CB 1.363 31.251 29.700 0.313 0.000 1.070 311 E HN 0.523 nan 8.360 nan 0.000 0.401 312 Y N 0.137 120.503 120.300 0.109 0.000 2.713 312 Y HA 0.482 5.032 4.550 -0.000 0.000 0.335 312 Y C -1.928 173.855 175.900 -0.195 0.000 1.222 312 Y CA -1.384 56.611 58.100 -0.175 0.000 1.061 312 Y CB 1.289 39.624 38.460 -0.208 0.000 1.314 312 Y HN 0.538 nan 8.280 nan 0.000 0.453 313 W N 5.301 126.228 121.300 -0.622 0.000 2.521 313 W HA 0.517 5.176 4.660 -0.000 0.000 0.310 313 W C -1.864 174.483 176.519 -0.286 0.000 1.000 313 W CA -1.080 55.924 57.345 -0.568 0.000 1.353 313 W CB 1.685 30.484 29.460 -1.102 0.000 1.276 313 W HN 0.836 nan 8.180 nan 0.000 0.417 314 L N 5.426 126.467 121.223 -0.304 0.000 2.525 314 L HA 0.313 4.653 4.340 -0.000 0.000 0.278 314 L C 1.206 177.765 176.870 -0.519 0.000 1.218 314 L CA 1.115 55.788 54.840 -0.278 0.000 0.878 314 L CB 0.501 42.451 42.059 -0.183 0.000 1.127 314 L HN 0.538 nan 8.230 nan 0.000 0.492 315 G N 3.391 112.003 108.800 -0.312 0.000 2.287 315 G HA2 0.040 4.000 3.960 -0.000 0.000 0.235 315 G HA3 0.040 4.000 3.960 -0.000 0.000 0.235 315 G C 0.824 175.584 174.900 -0.233 0.000 1.258 315 G CA 0.255 45.244 45.100 -0.186 0.000 0.884 315 G HN 0.886 nan 8.290 nan 0.000 0.518 316 T N 2.093 116.592 114.554 -0.092 0.000 2.699 316 T HA -0.200 4.149 4.350 -0.000 0.000 0.268 316 T C 2.461 176.900 174.700 -0.435 0.000 1.036 316 T CA 1.762 63.675 62.100 -0.310 0.000 1.147 316 T CB -0.135 68.270 68.868 -0.771 0.000 0.862 316 T HN 0.527 nan 8.240 nan 0.000 0.446 317 K N 0.918 121.067 120.400 -0.419 0.000 2.103 317 K HA -0.084 4.236 4.320 -0.000 0.000 0.207 317 K C 2.302 178.910 176.600 0.013 0.000 1.048 317 K CA 1.636 57.844 56.287 -0.132 0.000 0.930 317 K CB -0.885 31.610 32.500 -0.007 0.000 0.716 317 K HN 0.276 nan 8.250 nan 0.000 0.444 318 T N 0.064 114.560 114.554 -0.096 0.000 2.737 318 T HA -0.094 4.256 4.350 -0.000 0.000 0.265 318 T C 1.787 176.493 174.700 0.010 0.000 1.038 318 T CA 1.552 63.596 62.100 -0.093 0.000 1.144 318 T CB -0.295 68.378 68.868 -0.325 0.000 0.866 318 T HN -0.005 nan 8.240 nan 0.000 0.434 319 V N 1.851 121.745 119.914 -0.032 0.000 2.282 319 V HA -0.259 3.860 4.120 -0.000 0.000 0.249 319 V C 2.391 178.582 176.094 0.162 0.000 1.057 319 V CA 2.063 64.402 62.300 0.064 0.000 1.032 319 V CB -0.880 30.971 31.823 0.048 0.000 0.645 319 V HN 0.643 nan 8.190 nan 0.000 0.447 320 H N 0.269 119.387 119.070 0.080 0.000 2.290 320 H HA -0.182 4.373 4.556 -0.000 0.000 0.298 320 H C 2.379 177.807 175.328 0.165 0.000 1.087 320 H CA 2.122 58.268 56.048 0.165 0.000 1.291 320 H CB -0.095 29.837 29.762 0.282 0.000 1.369 320 H HN 0.374 nan 8.280 nan 0.000 0.492 321 Q N 0.838 120.794 119.800 0.260 0.000 2.135 321 Q HA -0.140 4.200 4.340 -0.000 0.000 0.204 321 Q C 2.839 178.903 176.000 0.106 0.000 0.981 321 Q CA 0.854 56.776 55.803 0.198 0.000 0.856 321 Q CB -0.591 28.308 28.738 0.268 0.000 0.902 321 Q HN 0.523 nan 8.270 nan 0.000 0.425 322 L N 0.772 122.073 121.223 0.130 0.000 2.042 322 L HA -0.214 4.126 4.340 -0.000 0.000 0.210 322 L C 2.335 179.280 176.870 0.126 0.000 1.076 322 L CA 2.013 56.944 54.840 0.152 0.000 0.749 322 L CB -0.422 41.742 42.059 0.174 0.000 0.893 322 L HN 0.395 nan 8.230 nan 0.000 0.432 323 T N -4.323 110.278 114.554 0.078 0.000 3.067 323 T HA -0.117 4.233 4.350 -0.000 0.000 0.257 323 T C 1.856 176.528 174.700 -0.047 0.000 1.105 323 T CA 0.214 62.347 62.100 0.054 0.000 1.104 323 T CB 0.017 68.917 68.868 0.054 0.000 0.925 323 T HN 0.146 nan 8.240 nan 0.000 0.498 324 K N 1.259 121.575 120.400 -0.141 0.000 2.062 324 K HA -0.054 4.266 4.320 -0.000 0.000 0.205 324 K C 2.408 178.971 176.600 -0.062 0.000 1.051 324 K CA 1.093 57.288 56.287 -0.153 0.000 0.941 324 K CB -0.302 32.072 32.500 -0.210 0.000 0.719 324 K HN 0.536 nan 8.250 nan 0.000 0.440 325 Q N -0.669 119.138 119.800 0.011 0.000 2.096 325 Q HA -0.161 4.178 4.340 -0.000 0.000 0.204 325 Q C -0.281 175.763 176.000 0.073 0.000 0.982 325 Q CA 1.372 57.211 55.803 0.059 0.000 0.850 325 Q CB 0.228 29.035 28.738 0.116 0.000 0.901 325 Q HN 0.266 nan 8.270 nan 0.000 0.422 326 H N -0.690 118.392 119.070 0.019 0.000 3.179 326 H HA 0.044 4.600 4.556 -0.000 0.000 0.301 326 H C -1.222 174.120 175.328 0.023 0.000 1.382 326 H CA -0.177 55.878 56.048 0.011 0.000 1.605 326 H CB 0.639 30.401 29.762 0.001 0.000 2.343 326 H HN 0.128 nan 8.280 nan 0.000 0.372 327 T N 4.462 119.081 114.554 0.108 0.000 2.720 327 T HA -0.080 4.270 4.350 -0.000 0.000 0.255 327 T C 0.718 175.511 174.700 0.155 0.000 1.021 327 T CA 0.599 62.771 62.100 0.121 0.000 1.145 327 T CB 0.393 69.319 68.868 0.097 0.000 1.036 327 T HN 0.340 nan 8.240 nan 0.000 0.479 328 Q N 1.635 121.555 119.800 0.199 0.000 2.385 328 Q HA 0.440 4.780 4.340 -0.000 0.000 0.262 328 Q C -0.083 176.070 176.000 0.256 0.000 1.050 328 Q CA -0.922 55.002 55.803 0.200 0.000 0.903 328 Q CB 1.610 30.509 28.738 0.270 0.000 1.325 328 Q HN 0.828 nan 8.270 nan 0.000 0.485 329 Q N -0.793 119.135 119.800 0.214 0.000 2.340 329 Q HA 0.702 5.042 4.340 -0.000 0.000 0.268 329 Q C -0.994 175.200 176.000 0.323 0.000 1.031 329 Q CA -0.706 55.264 55.803 0.277 0.000 0.804 329 Q CB 2.195 31.056 28.738 0.207 0.000 1.286 329 Q HN 0.317 nan 8.270 nan 0.000 0.448 330 V N 3.834 123.912 119.914 0.274 0.000 2.834 330 V HA 0.749 4.869 4.120 -0.000 0.000 0.313 330 V C -1.372 174.791 176.094 0.115 0.000 1.060 330 V CA -0.841 61.477 62.300 0.029 0.000 0.989 330 V CB 1.831 33.429 31.823 -0.375 0.000 1.041 330 V HN 0.810 nan 8.190 nan 0.000 0.459 331 L N 5.050 126.141 121.223 -0.220 0.000 2.516 331 L HA 0.641 4.981 4.340 -0.000 0.000 0.267 331 L C -1.869 174.794 176.870 -0.345 0.000 0.957 331 L CA -0.084 54.546 54.840 -0.350 0.000 0.860 331 L CB 1.784 43.157 42.059 -1.142 0.000 1.265 331 L HN 0.516 nan 8.230 nan 0.000 0.403 332 F N 2.560 122.380 119.950 -0.218 0.000 2.415 332 F HA 0.545 5.072 4.527 -0.000 0.000 0.348 332 F C -0.159 175.463 175.800 -0.298 0.000 1.119 332 F CA -0.356 57.506 58.000 -0.229 0.000 1.069 332 F CB 1.397 40.260 39.000 -0.228 0.000 1.124 332 F HN 0.481 nan 8.300 nan 0.000 0.472 333 D N 4.697 125.023 120.400 -0.124 0.000 2.425 333 D HA 0.505 5.144 4.640 -0.000 0.000 0.240 333 D C -0.395 175.811 176.300 -0.156 0.000 1.080 333 D CA -0.339 53.602 54.000 -0.098 0.000 0.836 333 D CB 1.200 41.955 40.800 -0.075 0.000 1.125 333 D HN 0.410 nan 8.370 nan 0.000 0.525 334 M N -0.572 118.876 119.600 -0.253 0.000 2.591 334 M HA 0.786 5.266 4.480 -0.000 0.000 0.306 334 M C -1.118 175.063 176.300 -0.198 0.000 1.190 334 M CA -0.747 54.426 55.300 -0.212 0.000 0.889 334 M CB 2.308 34.760 32.600 -0.247 0.000 1.728 334 M HN 0.009 nan 8.290 nan 0.000 0.458 335 S N 1.341 117.016 115.700 -0.041 0.000 2.547 335 S HA 0.448 4.918 4.470 -0.000 0.000 0.281 335 S C -1.199 173.501 174.600 0.166 0.000 1.118 335 S CA -0.876 57.344 58.200 0.032 0.000 0.947 335 S CB 1.788 64.949 63.200 -0.064 0.000 1.053 335 S HN 0.839 nan 8.310 nan 0.000 0.482 336 D N 0.384 121.001 120.400 0.362 0.000 2.451 336 D HA 0.134 4.774 4.640 -0.000 0.000 0.259 336 D C -0.264 176.123 176.300 0.145 0.000 1.201 336 D CA -0.749 53.487 54.000 0.393 0.000 1.028 336 D CB 0.378 41.320 40.800 0.237 0.000 1.095 336 D HN 0.581 nan 8.370 nan 0.000 0.539 337 W N -0.657 120.766 121.300 0.204 0.000 3.433 337 W HA 0.247 4.907 4.660 -0.000 0.000 0.376 337 W C 0.260 176.819 176.519 0.066 0.000 1.160 337 W CA -0.274 57.100 57.345 0.048 0.000 1.832 337 W CB -0.159 29.269 29.460 -0.055 0.000 1.011 337 W HN 0.391 nan 8.180 nan 0.000 0.766 338 E N -0.677 119.645 120.200 0.202 0.000 3.254 338 E HA 0.245 4.595 4.350 -0.000 0.000 0.184 338 E C 1.308 177.957 176.600 0.082 0.000 0.967 338 E CA 0.176 56.654 56.400 0.129 0.000 1.311 338 E CB 0.720 30.477 29.700 0.096 0.000 1.071 338 E HN 0.131 nan 8.360 nan 0.000 0.456 339 G N 1.109 109.948 108.800 0.065 0.000 2.155 339 G HA2 -0.302 3.658 3.960 -0.000 0.000 0.257 339 G HA3 -0.302 3.658 3.960 -0.000 0.000 0.257 339 G C 0.297 175.235 174.900 0.063 0.000 0.983 339 G CA 0.704 45.833 45.100 0.048 0.000 0.676 339 G HN 0.294 nan 8.290 nan 0.000 0.528 340 S N -0.498 115.270 115.700 0.113 0.000 2.593 340 S HA 0.847 5.316 4.470 -0.000 0.000 0.297 340 S C -0.058 174.647 174.600 0.175 0.000 1.112 340 S CA -0.117 58.183 58.200 0.167 0.000 1.043 340 S CB 2.104 65.466 63.200 0.269 0.000 1.054 340 S HN 0.657 nan 8.310 nan 0.000 0.516 341 S N 1.020 116.711 115.700 -0.015 0.000 2.543 341 S HA 0.632 5.101 4.470 -0.000 0.000 0.271 341 S C -0.570 173.614 174.600 -0.694 0.000 1.148 341 S CA -0.840 57.192 58.200 -0.280 0.000 0.914 341 S CB 1.485 64.578 63.200 -0.178 0.000 1.096 341 S HN 0.691 nan 8.310 nan 0.000 0.471 342 V N 0.489 119.773 119.914 -1.050 0.000 3.158 342 V HA 0.825 4.945 4.120 -0.000 0.000 0.315 342 V C -1.452 173.998 176.094 -1.073 0.000 1.148 342 V CA -0.890 60.658 62.300 -1.253 0.000 1.042 342 V CB 0.855 31.830 31.823 -1.413 0.000 1.101 342 V HN 0.908 nan 8.190 nan 0.000 0.448 343 Y N -0.322 119.736 120.300 -0.403 0.000 2.693 343 Y HA 0.935 5.485 4.550 -0.000 0.000 0.331 343 Y C 0.125 175.832 175.900 -0.321 0.000 1.092 343 Y CA -0.804 57.088 58.100 -0.346 0.000 1.131 343 Y CB 2.260 40.537 38.460 -0.305 0.000 1.318 343 Y HN 1.092 nan 8.280 nan 0.000 0.510 344 A N 1.597 124.381 122.820 -0.060 0.000 2.045 344 A HA 0.358 4.678 4.320 -0.000 0.000 0.298 344 A C -1.612 176.042 177.584 0.115 0.000 1.052 344 A CA -0.861 51.193 52.037 0.028 0.000 0.961 344 A CB 0.086 19.201 19.000 0.191 0.000 1.350 344 A HN 0.649 nan 8.150 nan 0.000 0.352 345 Q N 1.196 120.916 119.800 -0.132 0.000 2.387 345 Q HA 0.827 5.167 4.340 -0.000 0.000 0.273 345 Q C -1.564 174.369 176.000 -0.112 0.000 1.089 345 Q CA -0.866 54.955 55.803 0.031 0.000 0.824 345 Q CB 1.979 30.650 28.738 -0.112 0.000 1.367 345 Q HN 0.592 nan 8.270 nan 0.000 0.443 346 Y N -0.023 120.400 120.300 0.206 0.000 2.364 346 Y HA 0.484 5.034 4.550 -0.000 0.000 0.340 346 Y C 0.837 176.856 175.900 0.198 0.000 0.975 346 Y CA -0.748 57.487 58.100 0.226 0.000 1.089 346 Y CB 2.094 40.745 38.460 0.318 0.000 1.192 346 Y HN 0.938 nan 8.280 nan 0.000 0.454 347 A N 1.963 124.923 122.820 0.233 0.000 2.070 347 A HA -0.066 4.254 4.320 -0.000 0.000 0.220 347 A C 0.966 178.678 177.584 0.213 0.000 1.159 347 A CA 1.516 53.660 52.037 0.177 0.000 0.656 347 A CB -0.124 18.941 19.000 0.108 0.000 0.800 347 A HN 0.424 nan 8.150 nan 0.000 0.453 348 S N -1.734 114.134 115.700 0.281 0.000 2.614 348 S HA 0.619 5.089 4.470 -0.000 0.000 0.288 348 S C -1.454 173.360 174.600 0.356 0.000 1.137 348 S CA -0.546 57.810 58.200 0.260 0.000 0.992 348 S CB 0.804 64.110 63.200 0.178 0.000 1.026 348 S HN 0.421 nan 8.310 nan 0.000 0.486 349 F N 5.579 125.618 119.950 0.149 0.000 2.547 349 F HA 0.778 5.305 4.527 -0.000 0.000 0.316 349 F C -0.514 175.343 175.800 0.094 0.000 1.121 349 F CA -0.515 57.556 58.000 0.118 0.000 0.911 349 F CB 1.347 40.425 39.000 0.130 0.000 1.179 349 F HN 0.737 nan 8.300 nan 0.000 0.443 350 R N 7.381 127.569 120.500 -0.520 0.000 2.808 350 R HA 0.435 4.775 4.340 -0.000 0.000 0.254 350 R C -3.745 172.375 176.300 -0.300 0.000 1.145 350 R CA -1.236 54.682 56.100 -0.303 0.000 1.066 350 R CB 2.694 32.972 30.300 -0.036 0.000 1.268 350 R HN 0.400 nan 8.270 nan 0.000 0.447 351 P HA 0.334 nan 4.420 nan 0.000 0.305 351 P C -1.040 176.440 177.300 0.299 0.000 1.390 351 P CA -0.607 62.492 63.100 -0.001 0.000 1.054 351 P CB 2.281 34.020 31.700 0.064 0.000 1.335 352 E N 1.522 121.920 120.200 0.331 0.000 2.421 352 E HA 0.092 4.442 4.350 -0.000 0.000 0.253 352 E C 0.364 177.224 176.600 0.433 0.000 1.277 352 E CA 0.147 56.776 56.400 0.381 0.000 0.968 352 E CB 0.388 30.253 29.700 0.276 0.000 1.040 352 E HN 0.554 nan 8.360 nan 0.000 0.512 353 N N -0.556 118.261 118.700 0.195 0.000 2.326 353 N HA -0.099 4.641 4.740 -0.000 0.000 0.239 353 N C 0.821 176.009 175.510 -0.537 0.000 1.301 353 N CA 0.134 52.961 53.050 -0.371 0.000 0.909 353 N CB 0.360 38.734 38.487 -0.187 0.000 1.156 353 N HN 0.560 nan 8.380 nan 0.000 0.462 354 E N -0.150 119.508 120.200 -0.903 0.000 2.097 354 E HA -0.300 4.050 4.350 -0.000 0.000 0.196 354 E C 1.726 178.126 176.600 -0.332 0.000 1.000 354 E CA 1.553 57.353 56.400 -1.000 0.000 0.804 354 E CB -0.475 28.927 29.700 -0.497 0.000 0.740 354 E HN 0.704 nan 8.360 nan 0.000 0.454 355 A N 0.468 123.170 122.820 -0.195 0.000 2.032 355 A HA -0.185 4.135 4.320 -0.000 0.000 0.221 355 A C 1.822 179.366 177.584 -0.067 0.000 1.165 355 A CA 1.408 53.390 52.037 -0.092 0.000 0.645 355 A CB -0.198 18.771 19.000 -0.052 0.000 0.807 355 A HN 0.281 nan 8.150 nan 0.000 0.453 356 Q N -1.318 118.440 119.800 -0.070 0.000 2.201 356 Q HA 0.261 4.601 4.340 -0.000 0.000 0.217 356 Q C 0.896 176.923 176.000 0.045 0.000 0.860 356 Q CA 0.468 56.274 55.803 0.005 0.000 0.984 356 Q CB -0.111 28.663 28.738 0.059 0.000 1.095 356 Q HN 0.868 nan 8.270 nan 0.000 0.477 357 G N 1.236 110.057 108.800 0.035 0.000 2.283 357 G HA2 -0.357 3.603 3.960 -0.000 0.000 0.280 357 G HA3 -0.357 3.603 3.960 -0.000 0.000 0.280 357 G C -0.153 175.007 174.900 0.433 0.000 1.029 357 G CA 0.353 45.617 45.100 0.275 0.000 0.840 357 G HN 0.449 nan 8.290 nan 0.000 0.505 358 Y N -2.284 118.212 120.300 0.325 0.000 3.225 358 Y HA -0.263 4.287 4.550 -0.000 0.000 0.211 358 Y C 1.415 177.549 175.900 0.390 0.000 1.223 358 Y CA 1.105 59.402 58.100 0.328 0.000 1.284 358 Y CB -1.638 36.993 38.460 0.285 0.000 1.367 358 Y HN 0.829 nan 8.280 nan 0.000 0.566 359 R N 1.073 121.741 120.500 0.280 0.000 2.504 359 R HA 0.173 4.512 4.340 -0.000 0.000 0.291 359 R C 0.320 176.423 176.300 -0.329 0.000 0.974 359 R CA -0.383 55.719 56.100 0.004 0.000 1.077 359 R CB 0.229 30.430 30.300 -0.164 0.000 0.926 359 R HN 0.333 nan 8.270 nan 0.000 0.407 360 L N 5.916 126.747 121.223 -0.652 0.000 2.417 360 L HA 0.248 4.588 4.340 -0.000 0.000 0.268 360 L C -1.309 174.994 176.870 -0.944 0.000 1.158 360 L CA 0.312 54.540 54.840 -1.020 0.000 0.819 360 L CB 0.511 41.658 42.059 -1.519 0.000 1.112 360 L HN 0.677 nan 8.230 nan 0.000 0.458 361 W N 5.899 126.937 121.300 -0.437 0.000 2.527 361 W HA 0.512 5.171 4.660 -0.000 0.000 0.293 361 W C -0.820 175.573 176.519 -0.211 0.000 1.036 361 W CA -0.953 56.245 57.345 -0.246 0.000 1.233 361 W CB 1.558 30.918 29.460 -0.166 0.000 1.116 361 W HN 0.590 nan 8.180 nan 0.000 0.335 362 V N -0.370 119.609 119.914 0.109 0.000 3.096 362 V HA 0.882 5.002 4.120 -0.000 0.000 0.319 362 V C -0.625 175.633 176.094 0.273 0.000 1.082 362 V CA -0.747 61.646 62.300 0.154 0.000 1.022 362 V CB 2.031 33.809 31.823 -0.075 0.000 1.103 362 V HN 0.295 nan 8.190 nan 0.000 0.455 363 E N 0.119 120.553 120.200 0.391 0.000 2.378 363 E HA 0.356 4.706 4.350 -0.000 0.000 0.283 363 E C -1.757 175.053 176.600 0.351 0.000 0.979 363 E CA -0.161 56.445 56.400 0.344 0.000 0.795 363 E CB 1.446 31.268 29.700 0.203 0.000 1.221 363 E HN 0.932 nan 8.360 nan 0.000 0.428 364 D N 2.523 123.082 120.400 0.266 0.000 4.161 364 D HA -0.254 4.386 4.640 -0.000 0.000 0.246 364 D C -1.020 175.288 176.300 0.014 0.000 1.064 364 D CA 0.579 54.664 54.000 0.143 0.000 1.187 364 D CB -1.173 39.684 40.800 0.096 0.000 0.871 364 D HN 0.424 nan 8.370 nan 0.000 0.413 365 Y N 1.369 121.558 120.300 -0.185 0.000 2.281 365 Y HA 0.473 5.023 4.550 -0.000 0.000 0.337 365 Y C 0.585 176.329 175.900 -0.261 0.000 1.304 365 Y CA 0.497 58.293 58.100 -0.507 0.000 1.465 365 Y CB 0.950 39.191 38.460 -0.365 0.000 1.350 365 Y HN 0.425 nan 8.280 nan 0.000 0.575 366 S N 1.162 115.918 115.700 -1.573 0.000 2.678 366 S HA 0.646 5.115 4.470 -0.000 0.000 0.290 366 S C -0.654 173.244 174.600 -1.169 0.000 1.047 366 S CA -0.455 57.109 58.200 -1.060 0.000 0.851 366 S CB 0.715 63.639 63.200 -0.460 0.000 1.058 366 S HN 2.038 nan 8.310 nan 0.000 0.451 367 G N 1.828 110.243 108.800 -0.641 0.000 2.331 367 G HA2 0.249 4.209 3.960 -0.000 0.000 0.402 367 G HA3 0.249 4.209 3.960 -0.000 0.000 0.402 367 G C -0.577 174.263 174.900 -0.100 0.000 1.275 367 G CA 0.111 45.025 45.100 -0.309 0.000 1.003 367 G HN 1.733 nan 8.290 nan 0.000 0.500 368 N N -0.835 117.824 118.700 -0.070 0.000 2.177 368 N HA 0.478 5.218 4.740 -0.000 0.000 0.218 368 N C 1.569 177.003 175.510 -0.127 0.000 1.182 368 N CA 1.385 54.399 53.050 -0.061 0.000 0.882 368 N CB 0.711 39.113 38.487 -0.141 0.000 1.052 368 N HN 1.074 nan 8.380 nan 0.000 0.519 369 A N 0.334 123.072 122.820 -0.137 0.000 1.975 369 A HA 0.589 4.909 4.320 -0.000 0.000 0.215 369 A C 1.089 178.841 177.584 0.281 0.000 1.170 369 A CA 0.720 52.608 52.037 -0.250 0.000 0.656 369 A CB -0.528 18.097 19.000 -0.625 0.000 0.821 369 A HN 0.677 nan 8.150 nan 0.000 0.449 370 G N -0.384 108.669 108.800 0.421 0.000 3.326 370 G HA2 -0.062 3.898 3.960 -0.000 0.000 0.681 370 G HA3 -0.062 3.898 3.960 -0.000 0.000 0.681 370 G C -0.554 174.320 174.900 -0.043 0.000 1.255 370 G CA -0.195 45.045 45.100 0.233 0.000 0.976 370 G HN 0.340 nan 8.290 nan 0.000 0.563 371 N N 1.298 119.434 118.700 -0.940 0.000 2.874 371 N HA 0.204 4.944 4.740 -0.000 0.000 0.316 371 N C 1.736 177.126 175.510 -0.200 0.000 1.205 371 N CA 0.847 53.355 53.050 -0.904 0.000 1.180 371 N CB 0.119 38.007 38.487 -0.998 0.000 1.450 371 N HN 0.941 nan 8.380 nan 0.000 0.528 372 A N 2.645 125.404 122.820 -0.100 0.000 1.969 372 A HA -0.075 4.245 4.320 -0.000 0.000 0.218 372 A C 2.275 179.800 177.584 -0.098 0.000 1.169 372 A CA 0.632 52.505 52.037 -0.273 0.000 0.635 372 A CB -0.128 18.327 19.000 -0.908 0.000 0.810 372 A HN 0.580 nan 8.150 nan 0.000 0.445 373 L N -1.023 120.206 121.223 0.011 0.000 2.005 373 L HA -0.140 4.200 4.340 -0.000 0.000 0.207 373 L C 2.013 178.900 176.870 0.028 0.000 1.072 373 L CA 1.616 56.467 54.840 0.019 0.000 0.744 373 L CB -0.533 41.335 42.059 -0.317 0.000 0.895 373 L HN 0.590 nan 8.230 nan 0.000 0.433 374 L N -4.525 116.759 121.223 0.102 0.000 2.808 374 L HA 0.295 4.635 4.340 -0.000 0.000 0.246 374 L C 1.366 178.267 176.870 0.051 0.000 1.153 374 L CA 0.694 55.590 54.840 0.093 0.000 0.956 374 L CB -0.009 42.160 42.059 0.183 0.000 1.270 374 L HN 0.057 nan 8.230 nan 0.000 0.528 375 E N 0.364 120.566 120.200 0.003 0.000 2.572 375 E HA 0.398 4.747 4.350 -0.000 0.000 0.220 375 E C 0.804 177.362 176.600 -0.070 0.000 0.945 375 E CA 0.303 56.682 56.400 -0.035 0.000 1.070 375 E CB 0.662 30.321 29.700 -0.068 0.000 1.090 375 E HN 0.473 nan 8.360 nan 0.000 0.506 376 G N 1.181 109.922 108.800 -0.098 0.000 2.888 376 G HA2 -0.258 3.702 3.960 -0.000 0.000 0.441 376 G HA3 -0.258 3.702 3.960 -0.000 0.000 0.441 376 G C -0.011 174.811 174.900 -0.130 0.000 1.461 376 G CA -0.416 44.601 45.100 -0.138 0.000 0.897 376 G HN 0.410 nan 8.290 nan 0.000 0.547 377 A N 0.363 123.100 122.820 -0.139 0.000 2.476 377 A HA 0.576 4.896 4.320 -0.000 0.000 0.275 377 A C 1.900 179.437 177.584 -0.079 0.000 1.133 377 A CA 1.396 53.364 52.037 -0.114 0.000 0.797 377 A CB -0.222 18.704 19.000 -0.124 0.000 1.081 377 A HN 2.379 nan 8.150 nan 0.000 0.510 378 T N 0.539 115.059 114.554 -0.056 0.000 2.897 378 T HA -0.268 4.081 4.350 -0.000 0.000 0.271 378 T C 1.307 175.991 174.700 -0.027 0.000 1.084 378 T CA 1.638 63.717 62.100 -0.036 0.000 1.123 378 T CB -0.528 68.329 68.868 -0.018 0.000 0.865 378 T HN 0.826 nan 8.240 nan 0.000 0.496 379 Q N 0.596 120.380 119.800 -0.027 0.000 2.515 379 Q HA 0.298 4.638 4.340 -0.000 0.000 0.214 379 Q C 0.414 176.393 176.000 -0.034 0.000 0.971 379 Q CA 0.216 56.006 55.803 -0.022 0.000 0.952 379 Q CB -0.410 28.318 28.738 -0.017 0.000 0.999 379 Q HN 0.490 nan 8.270 nan 0.000 0.524 380 L N 1.011 122.206 121.223 -0.046 0.000 2.334 380 L HA 0.540 4.880 4.340 -0.000 0.000 0.273 380 L C -0.360 176.484 176.870 -0.042 0.000 1.013 380 L CA -1.109 53.700 54.840 -0.052 0.000 0.816 380 L CB 1.790 43.803 42.059 -0.077 0.000 1.278 380 L HN 0.164 nan 8.230 nan 0.000 0.431 381 M N 0.896 120.474 119.600 -0.037 0.000 2.598 381 M HA 0.548 5.028 4.480 -0.000 0.000 0.317 381 M C 0.637 176.920 176.300 -0.030 0.000 1.179 381 M CA -0.459 54.824 55.300 -0.029 0.000 0.936 381 M CB 1.152 33.740 32.600 -0.020 0.000 1.713 381 M HN 0.781 nan 8.290 nan 0.000 0.460 382 G N 2.216 111.001 108.800 -0.024 0.000 2.574 382 G HA2 -0.265 3.695 3.960 -0.000 0.000 0.282 382 G HA3 -0.265 3.695 3.960 -0.000 0.000 0.282 382 G C 0.459 175.342 174.900 -0.028 0.000 1.257 382 G CA 0.418 45.505 45.100 -0.021 0.000 0.956 382 G HN 0.697 nan 8.290 nan 0.000 0.560 383 D N 0.653 121.038 120.400 -0.025 0.000 2.221 383 D HA -0.092 4.548 4.640 -0.000 0.000 0.204 383 D C 2.310 178.581 176.300 -0.048 0.000 0.982 383 D CA 1.454 55.436 54.000 -0.030 0.000 0.857 383 D CB -0.274 40.513 40.800 -0.021 0.000 0.934 383 D HN 0.352 nan 8.370 nan 0.000 0.475 384 N N 0.536 119.204 118.700 -0.053 0.000 2.069 384 N HA -0.125 4.614 4.740 -0.000 0.000 0.191 384 N C 1.730 177.186 175.510 -0.089 0.000 1.031 384 N CA 0.659 53.663 53.050 -0.075 0.000 0.852 384 N CB -0.101 38.346 38.487 -0.068 0.000 1.018 384 N HN 0.153 nan 8.380 nan 0.000 0.423 385 R N 0.257 120.713 120.500 -0.073 0.000 2.075 385 R HA -0.120 4.219 4.340 -0.000 0.000 0.230 385 R C 1.989 178.236 176.300 -0.088 0.000 1.140 385 R CA 2.085 58.137 56.100 -0.080 0.000 0.928 385 R CB -0.813 29.452 30.300 -0.059 0.000 0.834 385 R HN 0.458 nan 8.270 nan 0.000 0.429 386 T N -0.008 114.507 114.554 -0.066 0.000 2.760 386 T HA -0.231 4.118 4.350 -0.000 0.000 0.269 386 T C 1.764 176.416 174.700 -0.080 0.000 1.047 386 T CA 1.818 63.881 62.100 -0.061 0.000 1.139 386 T CB -0.493 68.354 68.868 -0.035 0.000 0.855 386 T HN 0.520 nan 8.240 nan 0.000 0.471 387 M N 1.726 121.271 119.600 -0.091 0.000 2.639 387 M HA 0.289 4.769 4.480 -0.000 0.000 0.220 387 M C 1.074 177.283 176.300 -0.152 0.000 1.155 387 M CA 0.733 55.970 55.300 -0.104 0.000 1.003 387 M CB -0.493 32.047 32.600 -0.102 0.000 1.725 387 M HN 0.291 nan 8.290 nan 0.000 0.489 388 T N -2.407 112.035 114.554 -0.187 0.000 3.231 388 T HA 0.440 4.789 4.350 -0.000 0.000 0.292 388 T C 0.095 174.554 174.700 -0.401 0.000 1.001 388 T CA -0.488 61.448 62.100 -0.273 0.000 0.920 388 T CB -0.188 68.537 68.868 -0.237 0.000 1.140 388 T HN 0.397 nan 8.240 nan 0.000 0.525 389 I N 2.625 123.021 120.570 -0.291 0.000 2.371 389 I HA 0.299 4.469 4.170 -0.000 0.000 0.290 389 I C 1.356 177.293 176.117 -0.299 0.000 1.028 389 I CA -0.835 60.316 61.300 -0.247 0.000 1.345 389 I CB 0.894 38.830 38.000 -0.106 0.000 1.407 389 I HN 0.254 nan 8.210 nan 0.000 0.501 390 H N 3.476 122.529 119.070 -0.028 0.000 2.497 390 H HA 0.032 4.588 4.556 -0.000 0.000 0.282 390 H C 0.748 175.977 175.328 -0.165 0.000 1.003 390 H CA 0.151 56.165 56.048 -0.056 0.000 1.307 390 H CB -0.034 29.713 29.762 -0.025 0.000 1.437 390 H HN 0.550 nan 8.280 nan 0.000 0.544 391 N N 0.522 119.187 118.700 -0.058 0.000 2.293 391 N HA -0.044 4.695 4.740 -0.000 0.000 0.253 391 N C 1.289 176.645 175.510 -0.256 0.000 1.248 391 N CA 1.571 54.542 53.050 -0.132 0.000 0.845 391 N CB 0.251 38.752 38.487 0.024 0.000 1.073 391 N HN 0.505 nan 8.380 nan 0.000 0.464 392 G N 2.030 110.416 108.800 -0.690 0.000 2.189 392 G HA2 -0.276 3.684 3.960 -0.000 0.000 0.267 392 G HA3 -0.276 3.684 3.960 -0.000 0.000 0.267 392 G C 0.209 174.724 174.900 -0.642 0.000 0.975 392 G CA 0.636 45.017 45.100 -1.199 0.000 0.644 392 G HN 0.522 nan 8.290 nan 0.000 0.537 393 M N 0.094 119.477 119.600 -0.362 0.000 2.163 393 M HA 0.447 4.927 4.480 -0.000 0.000 0.305 393 M C 0.835 177.144 176.300 0.016 0.000 1.166 393 M CA -0.098 55.138 55.300 -0.108 0.000 1.132 393 M CB 0.353 32.972 32.600 0.031 0.000 1.413 393 M HN 0.300 nan 8.290 nan 0.000 0.478 394 Q N -0.282 119.599 119.800 0.135 0.000 2.226 394 Q HA 0.436 4.776 4.340 -0.000 0.000 0.256 394 Q C -1.249 174.927 176.000 0.293 0.000 0.962 394 Q CA -0.630 55.331 55.803 0.263 0.000 0.887 394 Q CB 1.845 30.688 28.738 0.175 0.000 1.282 394 Q HN 0.458 nan 8.270 nan 0.000 0.449 395 F N 0.938 121.011 119.950 0.205 0.000 2.484 395 F HA 0.125 4.652 4.527 -0.000 0.000 0.360 395 F C -0.274 175.659 175.800 0.222 0.000 1.101 395 F CA 0.651 58.576 58.000 -0.126 0.000 1.251 395 F CB 0.745 39.614 39.000 -0.217 0.000 1.132 395 F HN 0.306 nan 8.300 nan 0.000 0.570 396 S N 2.415 118.052 115.700 -0.107 0.000 2.536 396 S HA 0.671 5.141 4.470 -0.000 0.000 0.287 396 S C -0.511 174.227 174.600 0.229 0.000 1.101 396 S CA -0.779 57.568 58.200 0.245 0.000 0.950 396 S CB 1.885 65.248 63.200 0.273 0.000 1.056 396 S HN 0.764 nan 8.310 nan 0.000 0.481 397 T N -0.962 113.869 114.554 0.462 0.000 2.864 397 T HA 0.574 4.924 4.350 -0.000 0.000 0.289 397 T C 0.739 175.711 174.700 0.453 0.000 1.082 397 T CA -0.828 61.530 62.100 0.430 0.000 1.009 397 T CB 0.434 69.640 68.868 0.565 0.000 1.234 397 T HN 0.306 nan 8.240 nan 0.000 0.526 398 F N 2.267 122.330 119.950 0.189 0.000 2.060 398 F HA -0.263 4.264 4.527 -0.000 0.000 0.293 398 F C 1.532 177.428 175.800 0.161 0.000 1.096 398 F CA 2.834 60.881 58.000 0.079 0.000 1.241 398 F CB -0.359 38.708 39.000 0.112 0.000 0.959 398 F HN 0.783 nan 8.300 nan 0.000 0.499 399 D N -0.632 119.890 120.400 0.203 0.000 2.525 399 D HA 0.141 4.781 4.640 -0.000 0.000 0.229 399 D C -0.136 176.241 176.300 0.129 0.000 1.202 399 D CA -0.106 53.926 54.000 0.054 0.000 0.828 399 D CB -0.274 40.552 40.800 0.043 0.000 1.008 399 D HN 0.312 nan 8.370 nan 0.000 0.493 400 R N 0.787 121.423 120.500 0.227 0.000 3.039 400 R HA 0.125 4.465 4.340 -0.000 0.000 0.264 400 R C -1.784 174.540 176.300 0.039 0.000 1.708 400 R CA -0.408 55.717 56.100 0.041 0.000 1.134 400 R CB 0.500 30.763 30.300 -0.062 0.000 1.386 400 R HN -0.143 nan 8.270 nan 0.000 0.477 401 D N 1.680 121.934 120.400 -0.243 0.000 2.343 401 D HA 0.144 4.784 4.640 -0.000 0.000 0.255 401 D C -0.341 175.874 176.300 -0.142 0.000 1.187 401 D CA 0.285 54.081 54.000 -0.341 0.000 0.875 401 D CB 0.918 41.269 40.800 -0.749 0.000 1.136 401 D HN 0.479 nan 8.370 nan 0.000 0.469 402 N N 2.604 121.301 118.700 -0.006 0.000 2.167 402 N HA 0.033 4.773 4.740 -0.000 0.000 0.234 402 N C -0.694 174.860 175.510 0.074 0.000 1.312 402 N CA -0.296 52.766 53.050 0.019 0.000 0.861 402 N CB 0.518 39.042 38.487 0.062 0.000 1.217 402 N HN 0.531 nan 8.380 nan 0.000 0.504 403 D N -0.237 120.229 120.400 0.111 0.000 2.384 403 D HA 0.059 4.698 4.640 -0.000 0.000 0.244 403 D C 0.294 176.675 176.300 0.136 0.000 1.251 403 D CA -0.103 53.999 54.000 0.170 0.000 0.961 403 D CB 0.403 41.360 40.800 0.261 0.000 1.116 403 D HN -0.266 nan 8.370 nan 0.000 0.484 404 N N -0.734 118.060 118.700 0.156 0.000 2.758 404 N HA 0.147 4.887 4.740 -0.000 0.000 0.293 404 N C -1.544 174.097 175.510 0.219 0.000 1.273 404 N CA -0.475 52.654 53.050 0.131 0.000 1.022 404 N CB -0.279 38.259 38.487 0.084 0.000 1.334 404 N HN 0.414 nan 8.380 nan 0.000 0.519 405 W N 1.186 122.481 121.300 -0.008 0.000 2.466 405 W HA 0.347 5.007 4.660 -0.000 0.000 0.303 405 W C -0.576 175.927 176.519 -0.027 0.000 0.999 405 W CA -1.239 56.096 57.345 -0.016 0.000 1.437 405 W CB -0.618 28.833 29.460 -0.014 0.000 1.274 405 W HN 0.092 nan 8.180 nan 0.000 0.417 406 N N 4.741 123.490 118.700 0.082 0.000 2.727 406 N HA -0.221 4.518 4.740 -0.000 0.000 0.251 406 N C -2.028 173.405 175.510 -0.128 0.000 1.040 406 N CA 1.056 54.052 53.050 -0.089 0.000 0.712 406 N CB -1.033 37.287 38.487 -0.278 0.000 0.912 406 N HN 0.307 nan 8.380 nan 0.000 0.545 407 P HA -0.223 nan 4.420 nan 0.000 0.220 407 P C 1.363 178.602 177.300 -0.103 0.000 1.146 407 P CA 1.881 64.937 63.100 -0.074 0.000 0.816 407 P CB -0.000 31.679 31.700 -0.035 0.000 0.764 408 G N -2.112 106.623 108.800 -0.108 0.000 2.641 408 G HA2 -0.056 3.903 3.960 -0.000 0.000 0.207 408 G HA3 -0.056 3.903 3.960 -0.000 0.000 0.207 408 G C 0.312 175.129 174.900 -0.139 0.000 1.137 408 G CA -0.022 45.013 45.100 -0.107 0.000 0.824 408 G HN 0.182 nan 8.290 nan 0.000 0.547 409 D N 1.423 121.720 120.400 -0.171 0.000 2.363 409 D HA 0.177 4.817 4.640 -0.000 0.000 0.263 409 D C -1.615 174.530 176.300 -0.259 0.000 1.258 409 D CA -1.591 52.285 54.000 -0.205 0.000 0.907 409 D CB 1.769 42.424 40.800 -0.241 0.000 1.107 409 D HN 0.041 nan 8.370 nan 0.000 0.495 410 P HA 0.013 nan 4.420 nan 0.000 0.242 410 P C 0.886 178.054 177.300 -0.219 0.000 1.197 410 P CA 0.536 63.507 63.100 -0.216 0.000 0.765 410 P CB 0.433 32.040 31.700 -0.156 0.000 0.936 411 T N -1.017 113.388 114.554 -0.250 0.000 3.043 411 T HA 0.018 4.368 4.350 -0.000 0.000 0.263 411 T C 0.866 175.299 174.700 -0.444 0.000 1.094 411 T CA 0.805 62.757 62.100 -0.247 0.000 1.127 411 T CB -0.137 68.617 68.868 -0.192 0.000 0.905 411 T HN -0.018 nan 8.240 nan 0.000 0.490 412 K N 2.583 122.550 120.400 -0.722 0.000 2.222 412 K HA 0.201 4.520 4.320 -0.000 0.000 0.243 412 K C -0.833 175.224 176.600 -0.904 0.000 1.160 412 K CA -0.069 55.250 56.287 -1.613 0.000 1.090 412 K CB -0.488 30.822 32.500 -1.982 0.000 1.694 412 K HN 0.522 nan 8.250 nan 0.000 0.361 413 H N 0.696 119.467 119.070 -0.499 0.000 2.691 413 H HA 0.099 4.655 4.556 -0.000 0.000 0.281 413 H C 0.471 175.856 175.328 0.096 0.000 1.121 413 H CA -0.610 55.367 56.048 -0.118 0.000 1.254 413 H CB 0.609 30.275 29.762 -0.161 0.000 1.390 413 H HN 0.448 nan 8.280 nan 0.000 0.491 414 c N 2.372 121.230 118.600 0.429 0.000 2.409 414 c HA -0.132 4.438 4.570 -0.000 0.000 0.284 414 c C 2.716 176.505 174.090 -0.502 0.000 1.354 414 c CA 1.596 57.913 56.329 -0.019 0.000 1.787 414 c CB -0.806 41.611 42.510 -0.155 0.000 1.900 414 c HN 0.806 nan 8.230 nan 0.000 0.520 415 S N -0.416 115.169 115.700 -0.192 0.000 2.404 415 S HA -0.013 4.457 4.470 -0.000 0.000 0.223 415 S C 2.093 176.500 174.600 -0.322 0.000 1.040 415 S CA 0.524 58.590 58.200 -0.224 0.000 0.957 415 S CB -0.172 63.094 63.200 0.110 0.000 0.826 415 S HN 0.585 nan 8.310 nan 0.000 0.491 416 R N 1.304 121.385 120.500 -0.698 0.000 2.097 416 R HA -0.079 4.261 4.340 -0.000 0.000 0.236 416 R C 0.561 176.651 176.300 -0.350 0.000 1.135 416 R CA 1.440 57.247 56.100 -0.488 0.000 0.934 416 R CB -0.448 29.509 30.300 -0.572 0.000 0.846 416 R HN 0.656 nan 8.270 nan 0.000 0.431 417 E N 0.522 120.482 120.200 -0.399 0.000 2.319 417 E HA 0.136 4.486 4.350 -0.000 0.000 0.268 417 E C -0.476 176.099 176.600 -0.042 0.000 1.050 417 E CA -0.436 55.862 56.400 -0.169 0.000 0.878 417 E CB 0.840 30.481 29.700 -0.100 0.000 1.066 417 E HN 0.052 nan 8.360 nan 0.000 0.406 418 D N -0.063 120.397 120.400 0.100 0.000 2.839 418 D HA -0.192 4.447 4.640 -0.000 0.000 0.194 418 D C 0.399 176.778 176.300 0.130 0.000 0.988 418 D CA 1.132 55.184 54.000 0.086 0.000 1.009 418 D CB -1.409 39.345 40.800 -0.078 0.000 1.067 418 D HN 0.779 nan 8.370 nan 0.000 0.444 419 A N -0.897 122.005 122.820 0.137 0.000 2.642 419 A HA 0.139 4.459 4.320 -0.000 0.000 0.307 419 A C 1.007 178.695 177.584 0.174 0.000 1.512 419 A CA 2.221 54.347 52.037 0.148 0.000 0.861 419 A CB -1.471 17.598 19.000 0.114 0.000 0.991 419 A HN 1.321 nan 8.150 nan 0.000 0.449 420 G N -2.366 106.580 108.800 0.242 0.000 2.698 420 G HA2 0.699 4.658 3.960 -0.000 0.000 0.293 420 G HA3 0.699 4.658 3.960 -0.000 0.000 0.293 420 G C -0.156 174.823 174.900 0.132 0.000 1.437 420 G CA 0.187 45.425 45.100 0.231 0.000 0.852 420 G HN 1.441 nan 8.290 nan 0.000 0.499 421 G N -0.477 108.184 108.800 -0.231 0.000 2.353 421 G HA2 0.547 4.506 3.960 -0.000 0.000 0.284 421 G HA3 0.547 4.506 3.960 -0.000 0.000 0.284 421 G C -0.711 173.479 174.900 -1.182 0.000 1.172 421 G CA -0.415 44.195 45.100 -0.817 0.000 0.854 421 G HN 0.705 nan 8.290 nan 0.000 0.485 422 W N 3.124 123.230 121.300 -1.990 0.000 3.057 422 W HA 0.235 4.895 4.660 -0.000 0.000 0.328 422 W C -1.226 174.270 176.519 -1.705 0.000 1.232 422 W CA -1.291 54.842 57.345 -2.021 0.000 1.187 422 W CB 1.003 29.511 29.460 -1.587 0.000 1.417 422 W HN 0.466 nan 8.180 nan 0.000 0.569 423 W N 4.338 124.599 121.300 -1.732 0.000 1.435 423 W HA 0.076 4.736 4.660 -0.000 0.000 0.471 423 W C -0.466 175.816 176.519 -0.395 0.000 0.590 423 W CA -0.107 56.690 57.345 -0.914 0.000 2.419 423 W CB -1.219 27.746 29.460 -0.826 0.000 1.251 423 W HN 0.062 nan 8.180 nan 0.000 0.338 424 Y N 1.790 122.094 120.300 0.007 0.000 2.610 424 Y HA -0.107 4.443 4.550 -0.000 0.000 0.332 424 Y C 0.930 176.930 175.900 0.168 0.000 1.201 424 Y CA 0.598 58.845 58.100 0.245 0.000 1.465 424 Y CB 0.179 38.754 38.460 0.192 0.000 1.283 424 Y HN 0.138 nan 8.280 nan 0.000 0.563 425 N N 2.312 121.206 118.700 0.322 0.000 2.617 425 N HA 0.244 4.984 4.740 -0.000 0.000 0.263 425 N C -0.345 175.209 175.510 0.074 0.000 1.074 425 N CA -0.887 52.244 53.050 0.135 0.000 0.841 425 N CB 0.508 39.004 38.487 0.015 0.000 1.221 425 N HN 0.506 nan 8.380 nan 0.000 0.529 426 R N 2.890 123.450 120.500 0.100 0.000 3.627 426 R HA -0.271 4.069 4.340 -0.000 0.000 0.281 426 R C -0.206 175.997 176.300 -0.162 0.000 1.140 426 R CA 1.377 57.457 56.100 -0.033 0.000 0.761 426 R CB -2.358 27.899 30.300 -0.072 0.000 1.181 426 R HN 0.891 nan 8.270 nan 0.000 0.472 427 c N -4.674 113.937 118.600 0.018 0.000 0.636 427 c HA -0.178 4.392 4.570 -0.000 0.000 0.038 427 c C 0.114 174.448 174.090 0.406 0.000 0.305 427 c CA 0.599 57.000 56.329 0.120 0.000 0.547 427 c CB -1.265 41.143 42.510 -0.171 0.000 3.212 427 c HN 1.063 nan 8.230 nan 0.000 1.112 428 H N -0.113 119.032 119.070 0.126 0.000 2.950 428 H HA 0.609 5.165 4.556 -0.000 0.000 0.307 428 H C -0.189 175.156 175.328 0.030 0.000 1.403 428 H CA 0.148 56.321 56.048 0.208 0.000 1.145 428 H CB 1.094 31.192 29.762 0.559 0.000 1.844 428 H HN 1.263 nan 8.280 nan 0.000 0.515 429 A N 0.910 123.860 122.820 0.217 0.000 1.999 429 A HA 0.662 4.982 4.320 -0.000 0.000 0.200 429 A C 0.778 178.420 177.584 0.098 0.000 1.363 429 A CA 0.741 52.779 52.037 0.003 0.000 0.844 429 A CB -0.050 18.870 19.000 -0.133 0.000 0.954 429 A HN 0.958 nan 8.150 nan 0.000 0.481 430 A N 0.003 122.966 122.820 0.238 0.000 2.337 430 A HA 0.657 4.976 4.320 -0.000 0.000 0.329 430 A C -0.572 176.775 177.584 -0.395 0.000 1.146 430 A CA -0.458 51.415 52.037 -0.273 0.000 0.800 430 A CB 0.561 19.078 19.000 -0.804 0.000 1.220 430 A HN 0.213 nan 8.150 nan 0.000 0.472 431 N N 1.516 119.885 118.700 -0.551 0.000 2.664 431 N HA 0.347 5.086 4.740 -0.000 0.000 0.287 431 N C -3.113 172.000 175.510 -0.661 0.000 1.869 431 N CA -1.277 51.217 53.050 -0.926 0.000 0.832 431 N CB 1.098 38.953 38.487 -1.055 0.000 1.293 431 N HN 0.293 nan 8.380 nan 0.000 0.498 432 P HA 0.305 nan 4.420 nan 0.000 0.274 432 P C -0.117 176.940 177.300 -0.404 0.000 1.260 432 P CA 0.116 63.006 63.100 -0.350 0.000 0.793 432 P CB 0.497 32.094 31.700 -0.173 0.000 1.048 433 N N -3.647 114.892 118.700 -0.269 0.000 2.965 433 N HA -0.125 4.615 4.740 -0.000 0.000 0.232 433 N C 0.626 176.107 175.510 -0.049 0.000 0.913 433 N CA 1.705 54.700 53.050 -0.091 0.000 0.981 433 N CB -2.186 36.381 38.487 0.132 0.000 1.077 433 N HN 0.616 nan 8.380 nan 0.000 0.589 434 G N -0.409 108.300 108.800 -0.152 0.000 2.543 434 G HA2 0.551 4.510 3.960 -0.000 0.000 0.290 434 G HA3 0.551 4.510 3.960 -0.000 0.000 0.290 434 G C -0.001 174.850 174.900 -0.081 0.000 1.310 434 G CA -0.621 44.433 45.100 -0.076 0.000 1.025 434 G HN 0.206 nan 8.290 nan 0.000 0.502 435 R N -1.133 119.299 120.500 -0.112 0.000 2.570 435 R HA 0.003 4.343 4.340 -0.000 0.000 0.277 435 R C -0.862 175.274 176.300 -0.273 0.000 1.039 435 R CA 0.043 55.995 56.100 -0.247 0.000 1.065 435 R CB 0.311 30.302 30.300 -0.514 0.000 0.964 435 R HN 0.504 nan 8.270 nan 0.000 0.428 436 Y N 4.502 124.636 120.300 -0.278 0.000 2.714 436 Y HA 0.120 4.670 4.550 -0.000 0.000 0.333 436 Y C -0.870 174.956 175.900 -0.124 0.000 1.220 436 Y CA -0.429 57.591 58.100 -0.134 0.000 1.513 436 Y CB -0.184 38.268 38.460 -0.013 0.000 1.435 436 Y HN 0.445 nan 8.280 nan 0.000 0.489 437 Y N 3.358 123.493 120.300 -0.275 0.000 2.425 437 Y HA -0.064 4.486 4.550 -0.000 0.000 0.331 437 Y C 0.466 176.134 175.900 -0.386 0.000 1.157 437 Y CA -0.177 57.769 58.100 -0.257 0.000 1.372 437 Y CB 0.424 38.663 38.460 -0.369 0.000 1.253 437 Y HN 0.534 nan 8.280 nan 0.000 0.536 438 W N 3.443 124.602 121.300 -0.235 0.000 2.272 438 W HA 0.378 5.038 4.660 -0.000 0.000 0.318 438 W C 0.675 176.620 176.519 -0.958 0.000 1.255 438 W CA 0.267 57.288 57.345 -0.541 0.000 1.200 438 W CB 1.210 30.563 29.460 -0.179 0.000 1.170 438 W HN 0.814 nan 8.180 nan 0.000 0.549 439 G N 2.842 110.170 108.800 -2.453 0.000 2.176 439 G HA2 -0.134 3.826 3.960 -0.000 0.000 0.253 439 G HA3 -0.134 3.826 3.960 -0.000 0.000 0.253 439 G C 0.916 174.999 174.900 -1.361 0.000 0.979 439 G CA 0.747 44.929 45.100 -1.530 0.000 0.641 439 G HN 1.834 nan 8.290 nan 0.000 0.530 440 G N -0.284 107.443 108.800 -1.789 0.000 5.045 440 G HA2 -0.101 3.859 3.960 -0.000 0.000 0.229 440 G HA3 -0.101 3.859 3.960 -0.000 0.000 0.229 440 G C 0.757 175.197 174.900 -0.768 0.000 1.440 440 G CA 1.362 45.634 45.100 -1.379 0.000 0.936 440 G HN 2.246 nan 8.290 nan 0.000 0.690 441 I N 1.304 121.689 120.570 -0.309 0.000 2.575 441 I HA 0.725 4.895 4.170 -0.000 0.000 0.285 441 I C -0.067 176.030 176.117 -0.034 0.000 1.085 441 I CA -1.133 60.139 61.300 -0.047 0.000 1.403 441 I CB 0.681 38.694 38.000 0.022 0.000 1.409 441 I HN 1.070 nan 8.210 nan 0.000 0.557 442 Y N 1.890 122.073 120.300 -0.195 0.000 2.597 442 Y HA 0.836 5.386 4.550 -0.000 0.000 0.340 442 Y C -0.570 175.232 175.900 -0.163 0.000 1.097 442 Y CA -0.864 57.042 58.100 -0.324 0.000 1.037 442 Y CB 0.536 38.442 38.460 -0.924 0.000 1.305 442 Y HN 0.839 nan 8.280 nan 0.000 0.463 443 T N -1.722 112.701 114.554 -0.219 0.000 2.932 443 T HA 0.302 4.652 4.350 -0.000 0.000 0.289 443 T C 0.648 175.123 174.700 -0.375 0.000 1.039 443 T CA -0.727 61.108 62.100 -0.442 0.000 1.024 443 T CB 2.055 70.719 68.868 -0.340 0.000 1.090 443 T HN 1.006 nan 8.240 nan 0.000 0.496 444 K N 0.280 120.150 120.400 -0.884 0.000 2.160 444 K HA -0.209 4.111 4.320 -0.000 0.000 0.206 444 K C 1.504 178.048 176.600 -0.095 0.000 1.047 444 K CA 1.832 57.840 56.287 -0.465 0.000 0.930 444 K CB -0.139 32.011 32.500 -0.583 0.000 0.720 444 K HN 0.655 nan 8.250 nan 0.000 0.450 445 E N 0.526 120.636 120.200 -0.150 0.000 2.204 445 E HA -0.155 4.195 4.350 -0.000 0.000 0.194 445 E C 1.844 178.454 176.600 0.017 0.000 0.989 445 E CA 1.253 57.617 56.400 -0.059 0.000 0.824 445 E CB 0.080 29.728 29.700 -0.087 0.000 0.756 445 E HN 0.478 nan 8.360 nan 0.000 0.477 446 Q N 0.018 119.851 119.800 0.054 0.000 2.250 446 Q HA 0.246 4.586 4.340 -0.000 0.000 0.200 446 Q C 0.622 176.774 176.000 0.253 0.000 0.941 446 Q CA 0.427 56.315 55.803 0.142 0.000 0.872 446 Q CB 0.111 28.938 28.738 0.147 0.000 0.965 446 Q HN 0.140 nan 8.270 nan 0.000 0.480 447 A N 2.113 125.131 122.820 0.330 0.000 2.565 447 A HA -0.124 4.195 4.320 -0.000 0.000 0.237 447 A C 0.641 178.369 177.584 0.240 0.000 1.053 447 A CA 0.112 52.401 52.037 0.421 0.000 0.755 447 A CB 0.157 19.475 19.000 0.530 0.000 0.980 447 A HN 0.157 nan 8.150 nan 0.000 0.506 448 D N 0.515 121.024 120.400 0.181 0.000 2.182 448 D HA -0.156 4.484 4.640 -0.000 0.000 0.201 448 D C 0.379 176.524 176.300 -0.258 0.000 0.986 448 D CA 1.913 55.880 54.000 -0.055 0.000 0.847 448 D CB 0.003 40.753 40.800 -0.084 0.000 0.942 448 D HN 0.709 nan 8.370 nan 0.000 0.467 449 Y N -1.672 118.725 120.300 0.162 0.000 2.706 449 Y HA 0.331 4.881 4.550 -0.000 0.000 0.255 449 Y C 1.503 177.504 175.900 0.167 0.000 1.163 449 Y CA 0.024 58.210 58.100 0.144 0.000 1.174 449 Y CB 1.178 39.718 38.460 0.133 0.000 1.200 449 Y HN -0.019 nan 8.280 nan 0.000 0.544 450 G N 1.123 110.093 108.800 0.284 0.000 2.166 450 G HA2 -0.349 3.611 3.960 -0.000 0.000 0.260 450 G HA3 -0.349 3.611 3.960 -0.000 0.000 0.260 450 G C 0.411 175.546 174.900 0.391 0.000 0.986 450 G CA 0.855 46.125 45.100 0.284 0.000 0.683 450 G HN 0.458 nan 8.290 nan 0.000 0.527 451 T N -2.176 112.610 114.554 0.387 0.000 2.923 451 T HA 0.542 4.892 4.350 -0.000 0.000 0.281 451 T C 0.311 175.144 174.700 0.221 0.000 0.995 451 T CA 0.136 62.407 62.100 0.286 0.000 0.985 451 T CB 1.698 70.675 68.868 0.182 0.000 1.114 451 T HN 0.316 nan 8.240 nan 0.000 0.548 452 D N 0.840 121.165 120.400 -0.125 0.000 2.845 452 D HA 0.133 4.773 4.640 -0.000 0.000 0.235 452 D C -0.470 175.920 176.300 0.149 0.000 1.158 452 D CA -0.531 53.261 54.000 -0.347 0.000 0.990 452 D CB -0.875 39.431 40.800 -0.823 0.000 1.094 452 D HN 0.677 nan 8.370 nan 0.000 0.486 453 D N -0.430 120.130 120.400 0.267 0.000 2.339 453 D HA 0.522 5.162 4.640 -0.000 0.000 0.245 453 D C 0.880 177.273 176.300 0.154 0.000 1.115 453 D CA -0.367 53.756 54.000 0.205 0.000 0.917 453 D CB 1.325 42.254 40.800 0.215 0.000 1.192 453 D HN 0.401 nan 8.370 nan 0.000 0.428 454 G N -0.982 107.833 108.800 0.025 0.000 2.351 454 G HA2 0.164 4.124 3.960 -0.000 0.000 0.353 454 G HA3 0.164 4.124 3.960 -0.000 0.000 0.353 454 G C -1.080 173.793 174.900 -0.045 0.000 1.358 454 G CA -0.579 44.489 45.100 -0.054 0.000 0.995 454 G HN 0.705 nan 8.290 nan 0.000 0.611 455 V N 1.056 120.949 119.914 -0.036 0.000 2.149 455 V HA 0.336 4.456 4.120 -0.000 0.000 0.245 455 V C 0.872 177.032 176.094 0.110 0.000 1.349 455 V CA -0.265 62.030 62.300 -0.009 0.000 1.289 455 V CB 0.004 31.827 31.823 0.000 0.000 1.401 455 V HN 0.640 nan 8.190 nan 0.000 0.501 456 V N 2.822 122.796 119.914 0.100 0.000 2.644 456 V HA 0.420 4.539 4.120 -0.000 0.000 0.295 456 V C -0.089 176.180 176.094 0.293 0.000 1.053 456 V CA -0.504 61.927 62.300 0.219 0.000 0.987 456 V CB 2.077 34.035 31.823 0.225 0.000 1.006 456 V HN 0.901 nan 8.190 nan 0.000 0.472 457 W N 5.672 127.079 121.300 0.178 0.000 1.752 457 W HA 0.282 4.942 4.660 -0.000 0.000 0.308 457 W C 0.444 177.082 176.519 0.198 0.000 0.978 457 W CA -0.692 56.761 57.345 0.179 0.000 1.401 457 W CB 1.123 30.706 29.460 0.204 0.000 1.522 457 W HN 0.648 nan 8.180 nan 0.000 0.359 458 M N 1.203 120.862 119.600 0.099 0.000 2.190 458 M HA -0.377 4.103 4.480 -0.000 0.000 0.252 458 M C 1.709 178.089 176.300 0.133 0.000 1.076 458 M CA 2.310 57.649 55.300 0.065 0.000 1.079 458 M CB -0.607 31.960 32.600 -0.054 0.000 1.303 458 M HN 0.202 nan 8.290 nan 0.000 0.412 459 N N -1.483 117.272 118.700 0.092 0.000 2.580 459 N HA -0.221 4.519 4.740 -0.000 0.000 0.193 459 N C 1.103 176.866 175.510 0.422 0.000 1.075 459 N CA 1.330 54.501 53.050 0.202 0.000 0.921 459 N CB -0.044 38.544 38.487 0.167 0.000 0.950 459 N HN 0.549 nan 8.380 nan 0.000 0.449 460 W N 0.316 121.778 121.300 0.270 0.000 4.168 460 W HA 0.239 4.899 4.660 -0.000 0.000 0.211 460 W C 0.923 177.487 176.519 0.075 0.000 1.002 460 W CA 0.466 57.918 57.345 0.177 0.000 1.903 460 W CB 0.332 29.910 29.460 0.196 0.000 0.828 460 W HN -0.342 nan 8.180 nan 0.000 0.876 461 K N 0.806 121.252 120.400 0.077 0.000 2.469 461 K HA 0.413 4.732 4.320 -0.000 0.000 0.204 461 K C 0.555 177.144 176.600 -0.019 0.000 1.047 461 K CA 0.639 56.801 56.287 -0.207 0.000 1.072 461 K CB 0.810 33.111 32.500 -0.332 0.000 0.863 461 K HN 0.230 nan 8.250 nan 0.000 0.530 462 G N 1.156 109.986 108.800 0.050 0.000 2.693 462 G HA2 -0.284 3.676 3.960 -0.000 0.000 0.226 462 G HA3 -0.284 3.676 3.960 -0.000 0.000 0.226 462 G C 0.622 175.518 174.900 -0.006 0.000 1.354 462 G CA 0.008 45.120 45.100 0.021 0.000 0.873 462 G HN 0.078 nan 8.290 nan 0.000 0.562 463 S N -0.759 114.850 115.700 -0.152 0.000 2.461 463 S HA 0.060 4.530 4.470 -0.000 0.000 0.228 463 S C 0.977 175.166 174.600 -0.686 0.000 1.005 463 S CA 1.810 59.746 58.200 -0.440 0.000 0.942 463 S CB -0.136 62.622 63.200 -0.735 0.000 0.776 463 S HN 0.468 nan 8.310 nan 0.000 0.514 464 W N 0.850 122.052 121.300 -0.163 0.000 2.817 464 W HA 0.467 5.127 4.660 -0.000 0.000 0.433 464 W C -0.358 175.971 176.519 -0.318 0.000 0.838 464 W CA -0.743 56.247 57.345 -0.592 0.000 2.356 464 W CB -0.123 28.950 29.460 -0.645 0.000 1.216 464 W HN 0.110 nan 8.180 nan 0.000 0.793 465 Y N 0.911 121.271 120.300 0.100 0.000 2.354 465 Y HA 0.494 5.044 4.550 -0.000 0.000 0.330 465 Y C -0.298 175.789 175.900 0.312 0.000 1.011 465 Y CA -1.229 56.982 58.100 0.185 0.000 1.099 465 Y CB 1.530 40.019 38.460 0.048 0.000 1.179 465 Y HN -0.216 nan 8.280 nan 0.000 0.442 466 S N 7.535 123.185 115.700 -0.084 0.000 2.438 466 S HA 0.456 4.926 4.470 -0.000 0.000 0.293 466 S C -0.084 174.478 174.600 -0.063 0.000 1.141 466 S CA -0.893 57.283 58.200 -0.040 0.000 1.080 466 S CB 0.037 63.173 63.200 -0.106 0.000 0.978 466 S HN 0.661 nan 8.310 nan 0.000 0.479 467 M N 3.839 123.525 119.600 0.144 0.000 2.245 467 M HA 0.119 4.599 4.480 -0.000 0.000 0.312 467 M C 1.581 177.907 176.300 0.043 0.000 1.070 467 M CA 0.490 55.914 55.300 0.208 0.000 1.162 467 M CB -0.203 32.517 32.600 0.200 0.000 1.448 467 M HN 0.814 nan 8.290 nan 0.000 0.446 468 R N 0.230 120.528 120.500 -0.335 0.000 2.189 468 R HA 0.100 4.440 4.340 -0.000 0.000 0.203 468 R C -0.101 175.994 176.300 -0.342 0.000 1.012 468 R CA 0.792 56.287 56.100 -1.007 0.000 1.015 468 R CB 0.745 29.925 30.300 -1.865 0.000 0.938 468 R HN 0.704 nan 8.270 nan 0.000 0.472 469 Q N 0.434 120.127 119.800 -0.177 0.000 2.289 469 Q HA 0.362 4.702 4.340 -0.000 0.000 0.270 469 Q C -1.838 174.132 176.000 -0.049 0.000 1.038 469 Q CA -0.681 55.066 55.803 -0.093 0.000 0.812 469 Q CB 2.620 31.277 28.738 -0.135 0.000 1.300 469 Q HN 0.039 nan 8.270 nan 0.000 0.427 470 M N 2.127 121.699 119.600 -0.047 0.000 2.421 470 M HA 0.841 5.321 4.480 -0.000 0.000 0.287 470 M C -2.274 173.975 176.300 -0.085 0.000 1.183 470 M CA -0.150 55.125 55.300 -0.042 0.000 0.916 470 M CB 2.474 35.081 32.600 0.011 0.000 1.701 470 M HN 0.650 nan 8.290 nan 0.000 0.470 471 A N 4.583 127.343 122.820 -0.100 0.000 2.594 471 A HA 0.814 5.134 4.320 -0.000 0.000 0.296 471 A C -1.833 175.592 177.584 -0.266 0.000 1.061 471 A CA -0.720 51.212 52.037 -0.174 0.000 0.689 471 A CB 1.696 20.570 19.000 -0.208 0.000 1.280 471 A HN 0.840 nan 8.150 nan 0.000 0.406 472 M N 1.592 120.990 119.600 -0.338 0.000 2.294 472 M HA 0.438 4.918 4.480 -0.000 0.000 0.335 472 M C -0.756 175.287 176.300 -0.428 0.000 1.079 472 M CA -0.149 54.805 55.300 -0.578 0.000 0.982 472 M CB 1.965 34.286 32.600 -0.465 0.000 1.651 472 M HN 0.695 nan 8.290 nan 0.000 0.437 473 K N 2.716 122.847 120.400 -0.447 0.000 2.422 473 K HA 0.693 5.013 4.320 -0.000 0.000 0.251 473 K C -1.657 174.972 176.600 0.048 0.000 0.933 473 K CA -0.860 55.328 56.287 -0.166 0.000 0.798 473 K CB 2.549 34.922 32.500 -0.213 0.000 1.238 473 K HN 0.347 nan 8.250 nan 0.000 0.428 474 L N 1.957 123.330 121.223 0.250 0.000 2.342 474 L HA 0.593 4.933 4.340 -0.000 0.000 0.271 474 L C -0.586 176.534 176.870 0.417 0.000 1.008 474 L CA -0.369 54.649 54.840 0.296 0.000 0.818 474 L CB 1.652 43.789 42.059 0.131 0.000 1.296 474 L HN 0.619 nan 8.230 nan 0.000 0.427 475 R N 3.483 124.055 120.500 0.120 0.000 2.643 475 R HA 0.488 4.828 4.340 -0.000 0.000 0.269 475 R C -2.510 173.550 176.300 -0.400 0.000 1.037 475 R CA -1.090 54.760 56.100 -0.417 0.000 0.894 475 R CB 2.643 32.153 30.300 -1.316 0.000 1.238 475 R HN 0.351 nan 8.270 nan 0.000 0.459 476 P HA 0.131 nan 4.420 nan 0.000 0.195 476 P C -0.775 176.376 177.300 -0.248 0.000 1.086 476 P CA 0.739 63.630 63.100 -0.348 0.000 0.798 476 P CB 0.534 31.987 31.700 -0.413 0.000 0.679 477 K N 0.000 120.246 120.400 -0.256 0.000 2.780 477 K HA 0.000 4.320 4.320 -0.000 0.000 0.191 477 K CA 0.000 56.176 56.287 -0.185 0.000 0.838 477 K CB 0.000 32.427 32.500 -0.121 0.000 1.064 477 K HN 0.000 nan 8.250 nan 0.000 0.543