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 2hko_1_A DATA FIRST_RESID 173 DATA SEQUENCE GVEGAAFQSR LPHDRMTSQE AACFPDIISG PQQTQKVFLF IRNRTLQLWL DATA SEQUENCE DNPKIQLTFE ATLQQLEAPY NSDTVLVHRV HSYLERHGLI NFGIYKRIKP DATA SEQUENCE LPTKKTGKVI IIGSGVSGLA AARQLQSFGM DVTLLEARDR VGGRVATFRK DATA SEQUENCE GNYVADLGAM VVTGLGGNPM AVVSKQVNME LAKIKQKCPL YEANGQAVPK DATA SEQUENCE EKDEMVEQEF NRLLEATSYL SHQLDFNVLN NKPVSLGQAL EVVIQLQEKH DATA SEQUENCE VKDEQIEHWK KIVKTQEELK ELLNKMVNLK EKIKELHQQY KEAXXXXXXX DATA SEQUENCE XITAEFLVKS KHRDLTALCK EYDELAETQG KLEEKLQELE ANPPSDVYLS DATA SEQUENCE SRDRQILDWH FANLEFANAT PLSTLSLKHW DQDDDFEFTG SHLTVRNGYS DATA SEQUENCE CVPVALAEGL DIKLNTAVRQ VQYTASGCEV IAVNTRSTSQ TFIYKCDAVL DATA SEQUENCE CTLPLGVLKQ QPPAVQFVPP LPEWKTSAVQ RMGFGNLNKV VLCFDRVFWD DATA SEQUENCE PSVNLFGHVG STTASRGELF LFWNLYKAPI LLALVAGEAA GIMENISDDV DATA SEQUENCE IVGRCLAILK GIFGSSAVPQ PKETVVSRWR ADPWARGSYS YVAAGSSGND DATA SEQUENCE YDLMAQPITP GPSXXXXXQP IPRLFFAGEH TIRNYPATVH GALLSGLREA DATA SEQUENCE GRIADQFLGA 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 173 G HA2 0.000 nan 3.960 nan 0.000 0.244 173 G HA3 0.000 3.960 3.960 0.000 0.000 0.244 173 G C 0.000 174.904 174.900 0.007 0.000 0.946 173 G CA 0.000 45.102 45.100 0.003 0.000 0.502 174 V N 1.307 121.234 119.914 0.021 0.000 2.311 174 V HA -0.260 3.860 4.120 0.000 0.000 0.259 174 V C 2.845 178.957 176.094 0.030 0.000 1.086 174 V CA 3.026 65.337 62.300 0.018 0.000 1.078 174 V CB -0.431 31.429 31.823 0.062 0.000 0.668 174 V HN 0.667 nan 8.190 nan 0.000 0.452 175 E N 0.032 120.239 120.200 0.012 0.000 2.110 175 E HA -0.152 4.198 4.350 0.000 0.000 0.193 175 E C 2.309 178.903 176.600 -0.009 0.000 0.988 175 E CA 1.419 57.790 56.400 -0.047 0.000 0.804 175 E CB -0.677 28.907 29.700 -0.194 0.000 0.745 175 E HN 0.683 nan 8.360 nan 0.000 0.458 176 G N 0.828 109.631 108.800 0.005 0.000 2.534 176 G HA2 -0.063 3.897 3.960 0.000 0.000 0.217 176 G HA3 -0.063 3.897 3.960 0.000 0.000 0.217 176 G C 1.655 176.640 174.900 0.142 0.000 1.128 176 G CA 0.808 45.947 45.100 0.066 0.000 0.784 176 G HN 0.359 nan 8.290 nan 0.000 0.542 177 A N 1.476 124.351 122.820 0.093 0.000 1.841 177 A HA 0.333 4.653 4.320 0.000 0.000 0.214 177 A C 2.838 180.496 177.584 0.125 0.000 1.195 177 A CA 2.035 54.127 52.037 0.090 0.000 0.611 177 A CB -0.993 18.036 19.000 0.048 0.000 0.835 177 A HN 0.743 nan 8.150 nan 0.000 0.443 178 A N -1.307 121.596 122.820 0.138 0.000 1.986 178 A HA -0.148 4.172 4.320 0.000 0.000 0.220 178 A C 2.036 179.732 177.584 0.187 0.000 1.171 178 A CA 1.882 54.017 52.037 0.163 0.000 0.640 178 A CB -0.743 18.385 19.000 0.214 0.000 0.811 178 A HN 0.662 nan 8.150 nan 0.000 0.451 179 F N 0.168 120.163 119.950 0.076 0.000 2.084 179 F HA -0.126 4.401 4.527 0.000 0.000 0.296 179 F C 2.296 178.134 175.800 0.064 0.000 1.111 179 F CA 2.150 60.196 58.000 0.077 0.000 1.224 179 F CB -0.474 38.554 39.000 0.046 0.000 0.991 179 F HN 0.262 nan 8.300 nan 0.000 0.471 180 Q N 0.144 119.987 119.800 0.072 0.000 2.508 180 Q HA -0.084 4.256 4.340 0.000 0.000 0.214 180 Q C 1.383 177.339 176.000 -0.073 0.000 0.979 180 Q CA 1.426 57.201 55.803 -0.045 0.000 0.911 180 Q CB -0.404 28.363 28.738 0.047 0.000 0.969 180 Q HN 0.311 nan 8.270 nan 0.000 0.504 181 S N -0.662 115.024 115.700 -0.024 0.000 2.568 181 S HA 0.260 4.730 4.470 0.000 0.000 0.232 181 S C -0.279 174.312 174.600 -0.015 0.000 0.975 181 S CA -0.295 57.910 58.200 0.008 0.000 0.949 181 S CB 0.287 63.532 63.200 0.075 0.000 0.829 181 S HN 0.396 nan 8.310 nan 0.000 0.479 182 R N 0.372 120.827 120.500 -0.075 0.000 3.525 182 R HA -0.154 4.186 4.340 0.000 0.000 0.276 182 R C -1.293 175.052 176.300 0.075 0.000 1.116 182 R CA 0.292 56.393 56.100 0.002 0.000 0.745 182 R CB -1.713 28.631 30.300 0.074 0.000 1.185 182 R HN 0.180 nan 8.270 nan 0.000 0.454 183 L N -0.242 121.032 121.223 0.085 0.000 2.381 183 L HA 0.555 4.895 4.340 0.000 0.000 0.268 183 L C -2.129 174.838 176.870 0.161 0.000 0.997 183 L CA -2.463 52.449 54.840 0.120 0.000 0.818 183 L CB 1.780 43.907 42.059 0.115 0.000 1.310 183 L HN -0.219 nan 8.230 nan 0.000 0.416 184 P HA 0.182 nan 4.420 nan 0.000 0.271 184 P C 0.059 177.434 177.300 0.125 0.000 1.216 184 P CA 0.002 63.172 63.100 0.117 0.000 0.771 184 P CB 0.335 32.062 31.700 0.045 0.000 0.864 185 H N 1.871 121.005 119.070 0.107 0.000 2.539 185 H HA 0.103 4.659 4.556 0.000 0.000 0.269 185 H C -0.104 175.277 175.328 0.087 0.000 0.980 185 H CA 0.314 56.422 56.048 0.100 0.000 1.152 185 H CB 0.024 29.850 29.762 0.106 0.000 1.407 185 H HN 0.413 nan 8.280 nan 0.000 0.564 186 D N -0.013 120.205 120.400 -0.304 0.000 2.516 186 D HA 0.136 4.776 4.640 0.000 0.000 0.241 186 D C 0.410 176.649 176.300 -0.102 0.000 1.246 186 D CA -0.333 53.545 54.000 -0.204 0.000 0.808 186 D CB 0.813 41.419 40.800 -0.324 0.000 1.147 186 D HN 0.148 nan 8.370 nan 0.000 0.527 187 R N -0.024 120.429 120.500 -0.079 0.000 2.912 187 R HA 0.676 5.016 4.340 0.000 0.000 0.262 187 R C -0.430 175.841 176.300 -0.048 0.000 1.057 187 R CA -0.807 55.258 56.100 -0.058 0.000 0.981 187 R CB 2.324 32.595 30.300 -0.049 0.000 1.201 187 R HN -0.097 nan 8.270 nan 0.000 0.484 188 M N 0.758 120.306 119.600 -0.087 0.000 2.336 188 M HA 0.297 4.777 4.480 0.000 0.000 0.342 188 M C -0.218 176.037 176.300 -0.074 0.000 1.128 188 M CA -0.509 54.714 55.300 -0.129 0.000 1.016 188 M CB 2.167 34.601 32.600 -0.278 0.000 1.665 188 M HN 0.514 nan 8.290 nan 0.000 0.445 189 T N 0.907 115.437 114.554 -0.041 0.000 2.813 189 T HA 0.088 4.438 4.350 0.000 0.000 0.297 189 T C 1.267 175.960 174.700 -0.011 0.000 1.036 189 T CA -0.389 61.710 62.100 -0.002 0.000 1.044 189 T CB 0.994 69.885 68.868 0.038 0.000 0.993 189 T HN 0.738 nan 8.240 nan 0.000 0.535 190 S N 0.957 116.661 115.700 0.006 0.000 2.374 190 S HA -0.188 4.282 4.470 0.000 0.000 0.227 190 S C 2.142 176.758 174.600 0.027 0.000 1.037 190 S CA 1.324 59.529 58.200 0.008 0.000 1.024 190 S CB -0.290 62.917 63.200 0.012 0.000 0.861 190 S HN 0.611 nan 8.310 nan 0.000 0.456 191 Q N 0.933 120.761 119.800 0.047 0.000 1.948 191 Q HA -0.196 4.144 4.340 0.000 0.000 0.205 191 Q C 2.248 178.336 176.000 0.146 0.000 0.992 191 Q CA 1.644 57.506 55.803 0.099 0.000 0.849 191 Q CB -0.388 28.403 28.738 0.089 0.000 0.918 191 Q HN 0.629 nan 8.270 nan 0.000 0.421 192 E N 0.332 120.586 120.200 0.089 0.000 2.233 192 E HA -0.245 4.105 4.350 0.000 0.000 0.199 192 E C 1.763 178.366 176.600 0.006 0.000 1.004 192 E CA 0.977 57.334 56.400 -0.072 0.000 0.819 192 E CB -0.206 29.333 29.700 -0.269 0.000 0.738 192 E HN 0.370 nan 8.360 nan 0.000 0.478 193 A N 1.133 123.938 122.820 -0.024 0.000 2.014 193 A HA 0.097 4.417 4.320 0.000 0.000 0.218 193 A C 2.321 179.933 177.584 0.046 0.000 1.163 193 A CA 1.204 53.224 52.037 -0.028 0.000 0.652 193 A CB -0.235 18.738 19.000 -0.046 0.000 0.808 193 A HN 0.283 nan 8.150 nan 0.000 0.449 194 A N -1.035 121.831 122.820 0.077 0.000 1.898 194 A HA -0.075 4.245 4.320 0.000 0.000 0.214 194 A C 2.135 179.767 177.584 0.079 0.000 1.183 194 A CA 1.512 53.593 52.037 0.073 0.000 0.622 194 A CB -1.019 18.028 19.000 0.078 0.000 0.824 194 A HN 0.577 nan 8.150 nan 0.000 0.444 195 C N -1.819 117.568 119.300 0.144 0.000 2.481 195 C HA 0.187 4.647 4.460 0.000 0.000 0.275 195 C C 0.565 175.383 174.990 -0.288 0.000 1.419 195 C CA 0.003 59.019 59.018 -0.003 0.000 1.773 195 C CB -1.499 26.339 27.740 0.164 0.000 1.862 195 C HN 0.496 nan 8.230 nan 0.000 0.530 196 F N 0.965 120.900 119.950 -0.025 0.000 2.679 196 F HA 0.279 4.806 4.527 0.000 0.000 0.354 196 F C -1.171 174.589 175.800 -0.066 0.000 1.423 196 F CA -2.380 55.597 58.000 -0.038 0.000 1.141 196 F CB -0.258 38.690 39.000 -0.086 0.000 1.168 196 F HN 0.042 nan 8.300 nan 0.000 0.530 197 P HA -0.202 nan 4.420 nan 0.000 0.222 197 P C 0.848 178.167 177.300 0.031 0.000 1.142 197 P CA 1.617 64.736 63.100 0.033 0.000 0.788 197 P CB 0.266 31.974 31.700 0.014 0.000 0.767 198 D N 0.389 120.821 120.400 0.052 0.000 2.110 198 D HA -0.096 4.544 4.640 0.000 0.000 0.202 198 D C 2.167 178.497 176.300 0.050 0.000 0.975 198 D CA 0.628 54.658 54.000 0.050 0.000 0.839 198 D CB -1.039 39.798 40.800 0.063 0.000 0.996 198 D HN 0.210 nan 8.370 nan 0.000 0.464 199 I N 0.876 121.491 120.570 0.076 0.000 2.454 199 I HA -0.154 4.017 4.170 0.000 0.000 0.254 199 I C 2.664 178.750 176.117 -0.052 0.000 1.156 199 I CA 0.525 61.839 61.300 0.023 0.000 1.433 199 I CB -0.103 37.896 38.000 -0.003 0.000 1.082 199 I HN 0.021 nan 8.210 nan 0.000 0.432 200 I N 0.555 121.091 120.570 -0.057 0.000 2.286 200 I HA -0.263 3.907 4.170 0.000 0.000 0.245 200 I C 2.614 178.708 176.117 -0.037 0.000 1.104 200 I CA 1.719 62.975 61.300 -0.073 0.000 1.397 200 I CB 0.120 38.083 38.000 -0.063 0.000 1.072 200 I HN 0.260 nan 8.210 nan 0.000 0.417 201 S N 0.220 115.911 115.700 -0.015 0.000 2.496 201 S HA 0.134 4.604 4.470 0.000 0.000 0.224 201 S C 1.293 175.892 174.600 -0.002 0.000 0.996 201 S CA 0.123 58.318 58.200 -0.007 0.000 0.927 201 S CB -0.848 62.352 63.200 0.000 0.000 0.774 201 S HN 0.440 nan 8.310 nan 0.000 0.524 202 G N 2.504 111.306 108.800 0.003 0.000 2.634 202 G HA2 0.470 4.430 3.960 0.000 0.000 0.255 202 G HA3 0.470 4.430 3.960 0.000 0.000 0.255 202 G C -2.295 172.607 174.900 0.004 0.000 1.205 202 G CA -1.236 43.871 45.100 0.012 0.000 0.884 202 G HN 0.196 nan 8.290 nan 0.000 0.549 203 P HA -0.009 nan 4.420 nan 0.000 0.282 203 P C 0.802 178.106 177.300 0.007 0.000 1.294 203 P CA 0.178 63.283 63.100 0.009 0.000 0.852 203 P CB 0.434 32.144 31.700 0.016 0.000 1.287 204 Q N -0.991 118.815 119.800 0.011 0.000 2.240 204 Q HA -0.113 4.227 4.340 0.000 0.000 0.194 204 Q C 2.130 178.148 176.000 0.031 0.000 0.982 204 Q CA 0.467 56.277 55.803 0.011 0.000 0.842 204 Q CB -0.768 27.975 28.738 0.008 0.000 0.941 204 Q HN 0.210 nan 8.270 nan 0.000 0.516 205 Q N 0.340 120.160 119.800 0.034 0.000 2.124 205 Q HA -0.267 4.073 4.340 0.000 0.000 0.215 205 Q C 1.648 177.695 176.000 0.078 0.000 1.015 205 Q CA 3.362 59.194 55.803 0.048 0.000 0.890 205 Q CB -1.116 27.641 28.738 0.031 0.000 0.966 205 Q HN 0.512 nan 8.270 nan 0.000 0.412 206 T N 0.778 115.376 114.554 0.072 0.000 2.635 206 T HA -0.272 4.078 4.350 0.000 0.000 0.267 206 T C 1.764 176.547 174.700 0.139 0.000 1.040 206 T CA 1.801 63.963 62.100 0.104 0.000 1.156 206 T CB -0.440 68.478 68.868 0.083 0.000 0.863 206 T HN 0.490 nan 8.240 nan 0.000 0.430 207 Q N 0.983 120.832 119.800 0.083 0.000 2.014 207 Q HA -0.176 4.164 4.340 0.000 0.000 0.207 207 Q C 2.497 178.585 176.000 0.147 0.000 0.993 207 Q CA 1.587 57.423 55.803 0.055 0.000 0.850 207 Q CB -0.298 28.420 28.738 -0.033 0.000 0.916 207 Q HN 0.538 nan 8.270 nan 0.000 0.417 208 K N 0.063 120.536 120.400 0.121 0.000 2.127 208 K HA -0.194 4.126 4.320 0.000 0.000 0.208 208 K C 2.088 178.836 176.600 0.246 0.000 1.047 208 K CA 1.679 58.056 56.287 0.152 0.000 0.927 208 K CB -0.293 32.274 32.500 0.111 0.000 0.716 208 K HN 0.065 nan 8.250 nan 0.000 0.450 209 V N 1.054 121.138 119.914 0.283 0.000 2.307 209 V HA -0.239 3.881 4.120 0.000 0.000 0.245 209 V C 1.958 178.269 176.094 0.362 0.000 1.045 209 V CA 1.713 64.271 62.300 0.430 0.000 1.024 209 V CB -0.596 31.452 31.823 0.374 0.000 0.651 209 V HN 0.220 nan 8.190 nan 0.000 0.449 210 F N 1.010 121.029 119.950 0.116 0.000 2.025 210 F HA -0.253 4.274 4.527 0.000 0.000 0.297 210 F C 2.124 177.909 175.800 -0.026 0.000 1.132 210 F CA 1.936 59.937 58.000 0.003 0.000 1.191 210 F CB -0.595 38.344 39.000 -0.101 0.000 0.963 210 F HN 0.021 nan 8.300 nan 0.000 0.481 211 L N -0.955 120.545 121.223 0.462 0.000 2.081 211 L HA -0.258 4.082 4.340 0.000 0.000 0.212 211 L C 2.460 179.402 176.870 0.121 0.000 1.080 211 L CA 1.589 56.602 54.840 0.289 0.000 0.754 211 L CB -0.992 41.203 42.059 0.227 0.000 0.893 211 L HN 0.287 nan 8.230 nan 0.000 0.433 212 F N 0.915 120.849 119.950 -0.028 0.000 2.060 212 F HA -0.175 4.352 4.527 0.000 0.000 0.295 212 F C 2.320 177.978 175.800 -0.236 0.000 1.120 212 F CA 1.309 59.210 58.000 -0.164 0.000 1.205 212 F CB -0.321 38.474 39.000 -0.341 0.000 0.986 212 F HN -0.149 nan 8.300 nan 0.000 0.470 213 I N 0.258 120.611 120.570 -0.361 0.000 2.118 213 I HA -0.369 3.801 4.170 0.000 0.000 0.241 213 I C 2.789 178.670 176.117 -0.393 0.000 1.070 213 I CA 1.620 62.677 61.300 -0.405 0.000 1.327 213 I CB -0.653 37.225 38.000 -0.203 0.000 1.034 213 I HN 0.133 nan 8.210 nan 0.000 0.405 214 R N 1.276 121.537 120.500 -0.398 0.000 2.097 214 R HA -0.220 4.120 4.340 0.000 0.000 0.236 214 R C 2.055 178.237 176.300 -0.197 0.000 1.135 214 R CA 2.191 58.098 56.100 -0.321 0.000 0.934 214 R CB -0.677 29.425 30.300 -0.329 0.000 0.846 214 R HN 0.431 nan 8.270 nan 0.000 0.431 215 N N 0.578 119.169 118.700 -0.181 0.000 2.069 215 N HA -0.176 4.564 4.740 0.000 0.000 0.191 215 N C 1.910 177.290 175.510 -0.217 0.000 1.031 215 N CA 0.957 53.927 53.050 -0.132 0.000 0.852 215 N CB -0.399 38.047 38.487 -0.069 0.000 1.018 215 N HN 0.226 nan 8.380 nan 0.000 0.423 216 R N 0.656 120.882 120.500 -0.457 0.000 2.080 216 R HA -0.067 4.273 4.340 0.000 0.000 0.236 216 R C 2.051 178.218 176.300 -0.221 0.000 1.137 216 R CA 1.546 57.373 56.100 -0.454 0.000 0.943 216 R CB -1.011 28.819 30.300 -0.783 0.000 0.846 216 R HN 0.322 nan 8.270 nan 0.000 0.431 217 T N 2.003 116.442 114.554 -0.191 0.000 2.737 217 T HA -0.138 4.212 4.350 0.000 0.000 0.269 217 T C 1.993 176.692 174.700 -0.002 0.000 1.040 217 T CA 1.237 63.293 62.100 -0.073 0.000 1.142 217 T CB -0.211 68.613 68.868 -0.074 0.000 0.861 217 T HN 0.187 nan 8.240 nan 0.000 0.456 218 L N 0.629 121.849 121.223 -0.004 0.000 2.093 218 L HA -0.093 4.247 4.340 0.000 0.000 0.208 218 L C 2.955 179.881 176.870 0.094 0.000 1.085 218 L CA 1.216 56.112 54.840 0.093 0.000 0.755 218 L CB -0.619 41.487 42.059 0.079 0.000 0.904 218 L HN 0.304 nan 8.230 nan 0.000 0.435 219 Q N 0.757 120.564 119.800 0.011 0.000 2.030 219 Q HA -0.234 4.107 4.340 0.000 0.000 0.204 219 Q C 2.387 178.381 176.000 -0.011 0.000 0.986 219 Q CA 1.776 57.574 55.803 -0.010 0.000 0.843 219 Q CB -0.143 28.568 28.738 -0.045 0.000 0.904 219 Q HN 0.478 nan 8.270 nan 0.000 0.420 220 L N -0.061 121.162 121.223 -0.000 0.000 2.013 220 L HA -0.237 4.103 4.340 0.000 0.000 0.212 220 L C 2.490 179.379 176.870 0.033 0.000 1.073 220 L CA 1.755 56.601 54.840 0.010 0.000 0.753 220 L CB -0.854 41.221 42.059 0.027 0.000 0.890 220 L HN 0.586 nan 8.230 nan 0.000 0.432 221 W N 0.931 122.177 121.300 -0.091 0.000 2.379 221 W HA -0.179 4.481 4.660 0.000 0.000 0.307 221 W C 2.094 178.540 176.519 -0.120 0.000 1.200 221 W CA 1.175 58.446 57.345 -0.124 0.000 1.297 221 W CB -0.179 29.197 29.460 -0.140 0.000 1.140 221 W HN 0.096 nan 8.180 nan 0.000 0.507 222 L N 0.903 121.985 121.223 -0.235 0.000 2.131 222 L HA -0.228 4.112 4.340 0.000 0.000 0.210 222 L C 2.175 178.866 176.870 -0.298 0.000 1.092 222 L CA 1.487 56.130 54.840 -0.328 0.000 0.759 222 L CB -0.887 41.124 42.059 -0.080 0.000 0.903 222 L HN -0.139 nan 8.230 nan 0.000 0.435 223 D N -0.225 120.054 120.400 -0.201 0.000 2.178 223 D HA -0.133 4.507 4.640 0.000 0.000 0.202 223 D C 0.939 177.115 176.300 -0.206 0.000 0.974 223 D CA 1.166 55.070 54.000 -0.160 0.000 0.841 223 D CB -0.049 40.693 40.800 -0.097 0.000 0.953 223 D HN 0.321 nan 8.370 nan 0.000 0.478 224 N N -0.465 118.067 118.700 -0.281 0.000 2.710 224 N HA 0.098 4.838 4.740 0.000 0.000 0.244 224 N C -2.588 172.629 175.510 -0.488 0.000 1.321 224 N CA -0.974 51.901 53.050 -0.291 0.000 0.758 224 N CB 1.631 40.020 38.487 -0.163 0.000 1.284 224 N HN -0.196 nan 8.380 nan 0.000 0.530 225 P HA 0.135 nan 4.420 nan 0.000 0.253 225 P C 0.003 176.953 177.300 -0.583 0.000 1.459 225 P CA 0.147 62.459 63.100 -1.313 0.000 0.908 225 P CB 0.124 30.916 31.700 -1.512 0.000 1.470 226 K N 0.384 120.614 120.400 -0.283 0.000 2.358 226 K HA 0.251 4.571 4.320 0.000 0.000 0.197 226 K C 0.965 177.587 176.600 0.037 0.000 1.025 226 K CA 0.089 56.328 56.287 -0.080 0.000 1.104 226 K CB 0.239 32.691 32.500 -0.079 0.000 0.855 226 K HN 0.328 nan 8.250 nan 0.000 0.531 227 I N -2.718 117.873 120.570 0.036 0.000 2.722 227 I HA 0.292 4.462 4.170 0.000 0.000 0.295 227 I C -0.879 175.315 176.117 0.128 0.000 1.161 227 I CA -1.237 60.132 61.300 0.115 0.000 1.032 227 I CB 1.849 39.880 38.000 0.053 0.000 1.244 227 I HN -0.154 nan 8.210 nan 0.000 0.421 228 Q N 3.438 123.325 119.800 0.145 0.000 2.349 228 Q HA 0.179 4.519 4.340 0.000 0.000 0.287 228 Q C -1.321 174.700 176.000 0.034 0.000 1.044 228 Q CA -0.176 55.590 55.803 -0.061 0.000 0.918 228 Q CB 1.192 29.979 28.738 0.081 0.000 1.242 228 Q HN 0.713 nan 8.270 nan 0.000 0.405 229 L N 4.872 126.109 121.223 0.023 0.000 2.313 229 L HA 0.332 4.672 4.340 0.000 0.000 0.273 229 L C -0.483 176.520 176.870 0.222 0.000 1.028 229 L CA -0.085 54.831 54.840 0.126 0.000 0.871 229 L CB 1.038 43.206 42.059 0.181 0.000 1.242 229 L HN 0.755 nan 8.230 nan 0.000 0.434 230 T N 0.464 115.111 114.554 0.155 0.000 2.899 230 T HA 0.176 4.526 4.350 0.000 0.000 0.284 230 T C 1.073 175.764 174.700 -0.015 0.000 1.004 230 T CA -0.327 61.834 62.100 0.100 0.000 1.043 230 T CB 0.608 69.508 68.868 0.054 0.000 1.013 230 T HN 0.422 nan 8.240 nan 0.000 0.518 231 F N 1.069 120.719 119.950 -0.499 0.000 2.091 231 F HA -0.095 4.432 4.527 0.000 0.000 0.299 231 F C 2.329 178.047 175.800 -0.137 0.000 1.103 231 F CA 2.193 59.906 58.000 -0.478 0.000 1.228 231 F CB -0.634 38.142 39.000 -0.373 0.000 0.984 231 F HN 0.928 nan 8.300 nan 0.000 0.477 232 E N 0.027 120.070 120.200 -0.262 0.000 2.058 232 E HA -0.245 4.105 4.350 0.000 0.000 0.194 232 E C 2.302 178.779 176.600 -0.206 0.000 0.997 232 E CA 1.244 57.455 56.400 -0.316 0.000 0.801 232 E CB -0.422 29.201 29.700 -0.129 0.000 0.746 232 E HN 0.480 nan 8.360 nan 0.000 0.450 233 A N 0.043 122.806 122.820 -0.094 0.000 1.933 233 A HA -0.143 4.177 4.320 0.000 0.000 0.218 233 A C 2.302 179.863 177.584 -0.039 0.000 1.175 233 A CA 1.868 53.879 52.037 -0.042 0.000 0.628 233 A CB -0.750 18.255 19.000 0.009 0.000 0.814 233 A HN 0.287 nan 8.150 nan 0.000 0.444 234 T N 0.077 114.615 114.554 -0.027 0.000 3.098 234 T HA 0.089 4.439 4.350 0.000 0.000 0.266 234 T C 1.484 176.155 174.700 -0.048 0.000 1.145 234 T CA 0.675 62.783 62.100 0.013 0.000 1.092 234 T CB -0.225 68.732 68.868 0.148 0.000 0.908 234 T HN 0.354 nan 8.240 nan 0.000 0.526 235 L N -0.054 121.082 121.223 -0.145 0.000 2.221 235 L HA 0.116 4.456 4.340 0.000 0.000 0.202 235 L C 2.559 179.390 176.870 -0.065 0.000 1.074 235 L CA 0.853 55.607 54.840 -0.143 0.000 0.795 235 L CB -0.164 41.718 42.059 -0.294 0.000 0.960 235 L HN 0.142 nan 8.230 nan 0.000 0.458 236 Q N 0.069 119.832 119.800 -0.062 0.000 2.389 236 Q HA -0.076 4.264 4.340 0.000 0.000 0.204 236 Q C 1.531 177.529 176.000 -0.003 0.000 0.944 236 Q CA 0.885 56.672 55.803 -0.027 0.000 0.908 236 Q CB 0.217 28.937 28.738 -0.030 0.000 1.002 236 Q HN 0.376 nan 8.270 nan 0.000 0.493 237 Q N -0.075 119.721 119.800 -0.006 0.000 2.291 237 Q HA 0.120 4.460 4.340 0.000 0.000 0.211 237 Q C -0.351 175.663 176.000 0.023 0.000 0.925 237 Q CA 0.197 56.004 55.803 0.006 0.000 0.949 237 Q CB 0.306 29.043 28.738 -0.001 0.000 1.015 237 Q HN 0.316 nan 8.270 nan 0.000 0.477 238 L N -0.067 121.183 121.223 0.045 0.000 2.313 238 L HA 0.382 4.722 4.340 0.000 0.000 0.268 238 L C 0.495 177.454 176.870 0.149 0.000 1.010 238 L CA -0.787 54.111 54.840 0.098 0.000 0.814 238 L CB 1.499 43.630 42.059 0.120 0.000 1.304 238 L HN 0.028 nan 8.230 nan 0.000 0.441 239 E N 0.707 121.057 120.200 0.250 0.000 2.569 239 E HA 0.114 4.464 4.350 0.000 0.000 0.258 239 E C 0.538 177.270 176.600 0.220 0.000 1.390 239 E CA 0.812 57.370 56.400 0.264 0.000 1.049 239 E CB 0.790 30.739 29.700 0.416 0.000 1.009 239 E HN 0.623 nan 8.360 nan 0.000 0.580 240 A N 1.022 123.929 122.820 0.145 0.000 2.238 240 A HA 0.145 4.465 4.320 0.000 0.000 0.210 240 A C -1.362 176.234 177.584 0.019 0.000 1.179 240 A CA 0.333 52.415 52.037 0.075 0.000 0.827 240 A CB -0.439 18.584 19.000 0.038 0.000 0.856 240 A HN 0.579 nan 8.150 nan 0.000 0.488 241 P HA 0.129 nan 4.420 nan 0.000 0.268 241 P C 0.364 177.513 177.300 -0.253 0.000 1.248 241 P CA 0.482 63.452 63.100 -0.217 0.000 0.851 241 P CB 0.100 31.563 31.700 -0.394 0.000 1.238 242 Y N 2.049 122.405 120.300 0.094 0.000 2.396 242 Y HA -0.007 4.543 4.550 0.000 0.000 0.292 242 Y C 2.166 178.130 175.900 0.106 0.000 1.128 242 Y CA 1.094 59.275 58.100 0.135 0.000 1.194 242 Y CB -1.329 37.280 38.460 0.247 0.000 1.124 242 Y HN -0.004 nan 8.280 nan 0.000 0.543 243 N N 0.261 119.109 118.700 0.245 0.000 2.651 243 N HA -0.131 4.609 4.740 0.000 0.000 0.193 243 N C 0.782 176.348 175.510 0.093 0.000 1.149 243 N CA 1.266 54.398 53.050 0.137 0.000 0.933 243 N CB -0.815 37.728 38.487 0.093 0.000 0.974 243 N HN 0.315 nan 8.380 nan 0.000 0.448 244 S N -1.929 113.830 115.700 0.097 0.000 2.497 244 S HA -0.005 4.465 4.470 0.000 0.000 0.221 244 S C 0.535 175.187 174.600 0.086 0.000 1.037 244 S CA -0.237 58.003 58.200 0.066 0.000 0.920 244 S CB 0.067 63.286 63.200 0.033 0.000 0.800 244 S HN 0.280 nan 8.310 nan 0.000 0.505 245 D N 3.178 123.649 120.400 0.119 0.000 2.522 245 D HA 0.179 4.819 4.640 0.000 0.000 0.218 245 D C 0.921 177.328 176.300 0.178 0.000 1.149 245 D CA 0.151 54.231 54.000 0.133 0.000 0.981 245 D CB 0.803 41.687 40.800 0.141 0.000 1.041 245 D HN 0.314 nan 8.370 nan 0.000 0.518 246 T N -0.015 114.644 114.554 0.175 0.000 2.624 246 T HA -0.204 4.146 4.350 0.000 0.000 0.268 246 T C 2.143 177.042 174.700 0.331 0.000 1.041 246 T CA 1.126 63.387 62.100 0.268 0.000 1.159 246 T CB -0.434 68.567 68.868 0.221 0.000 0.863 246 T HN 0.218 nan 8.240 nan 0.000 0.434 247 V N 1.869 121.905 119.914 0.203 0.000 2.252 247 V HA -0.150 3.970 4.120 0.000 0.000 0.249 247 V C 2.546 178.754 176.094 0.189 0.000 1.056 247 V CA 1.860 64.251 62.300 0.152 0.000 1.022 247 V CB -1.027 30.855 31.823 0.098 0.000 0.641 247 V HN 0.328 nan 8.190 nan 0.000 0.445 248 L N -0.052 121.290 121.223 0.197 0.000 1.989 248 L HA -0.144 4.196 4.340 0.000 0.000 0.211 248 L C 2.403 179.394 176.870 0.201 0.000 1.071 248 L CA 1.855 56.823 54.840 0.212 0.000 0.749 248 L CB -0.627 41.553 42.059 0.203 0.000 0.890 248 L HN 0.130 nan 8.230 nan 0.000 0.431 249 V N -0.422 119.631 119.914 0.232 0.000 2.250 249 V HA -0.420 3.700 4.120 0.000 0.000 0.250 249 V C 2.532 178.790 176.094 0.273 0.000 1.060 249 V CA 2.310 64.766 62.300 0.262 0.000 1.030 249 V CB -0.994 31.051 31.823 0.371 0.000 0.643 249 V HN 0.735 nan 8.190 nan 0.000 0.445 250 H N 0.309 119.443 119.070 0.107 0.000 2.290 250 H HA -0.172 4.384 4.556 0.000 0.000 0.298 250 H C 2.494 177.764 175.328 -0.097 0.000 1.087 250 H CA 2.322 58.126 56.048 -0.406 0.000 1.291 250 H CB -0.093 29.163 29.762 -0.843 0.000 1.369 250 H HN 0.297 nan 8.280 nan 0.000 0.492 251 R N -0.359 120.207 120.500 0.108 0.000 2.097 251 R HA -0.155 4.185 4.340 0.000 0.000 0.236 251 R C 2.480 178.935 176.300 0.258 0.000 1.135 251 R CA 1.835 58.034 56.100 0.165 0.000 0.934 251 R CB -0.736 29.737 30.300 0.288 0.000 0.846 251 R HN 0.223 nan 8.270 nan 0.000 0.431 252 V N 0.740 120.800 119.914 0.244 0.000 2.287 252 V HA -0.310 3.810 4.120 0.000 0.000 0.248 252 V C 2.499 178.671 176.094 0.131 0.000 1.053 252 V CA 2.115 64.483 62.300 0.114 0.000 1.027 252 V CB -0.911 30.776 31.823 -0.227 0.000 0.646 252 V HN 0.466 nan 8.190 nan 0.000 0.447 253 H N 1.196 120.254 119.070 -0.020 0.000 2.319 253 H HA -0.172 4.384 4.556 0.000 0.000 0.297 253 H C 2.531 177.796 175.328 -0.106 0.000 1.097 253 H CA 2.426 58.441 56.048 -0.056 0.000 1.285 253 H CB -0.179 29.555 29.762 -0.046 0.000 1.368 253 H HN 0.592 nan 8.280 nan 0.000 0.495 254 S N -0.174 115.520 115.700 -0.010 0.000 2.368 254 S HA -0.216 4.254 4.470 0.000 0.000 0.225 254 S C 2.289 176.851 174.600 -0.065 0.000 1.030 254 S CA 1.201 59.347 58.200 -0.090 0.000 0.999 254 S CB -1.313 61.752 63.200 -0.225 0.000 0.844 254 S HN 0.601 nan 8.310 nan 0.000 0.459 255 Y N 2.742 123.033 120.300 -0.015 0.000 2.081 255 Y HA -0.123 4.427 4.550 -0.000 0.000 0.280 255 Y C 2.110 178.053 175.900 0.073 0.000 1.163 255 Y CA 1.761 59.924 58.100 0.104 0.000 1.135 255 Y CB -0.564 38.153 38.460 0.428 0.000 0.970 255 Y HN 0.206 nan 8.280 nan 0.000 0.498 256 L N 0.037 121.319 121.223 0.099 0.000 2.012 256 L HA -0.235 4.105 4.340 0.000 0.000 0.210 256 L C 2.593 179.344 176.870 -0.199 0.000 1.073 256 L CA 2.022 56.833 54.840 -0.049 0.000 0.748 256 L CB -0.710 41.303 42.059 -0.076 0.000 0.891 256 L HN 0.341 nan 8.230 nan 0.000 0.431 257 E N 0.225 120.266 120.200 -0.265 0.000 2.051 257 E HA -0.280 4.070 4.350 0.000 0.000 0.192 257 E C 2.291 178.836 176.600 -0.092 0.000 0.991 257 E CA 1.024 57.294 56.400 -0.215 0.000 0.799 257 E CB 0.106 29.693 29.700 -0.188 0.000 0.748 257 E HN 0.140 nan 8.360 nan 0.000 0.449 258 R N 0.414 120.767 120.500 -0.244 0.000 2.096 258 R HA -0.156 4.184 4.340 0.000 0.000 0.240 258 R C 1.839 177.958 176.300 -0.302 0.000 1.139 258 R CA 1.935 57.804 56.100 -0.385 0.000 0.952 258 R CB -0.579 29.338 30.300 -0.638 0.000 0.854 258 R HN 0.351 nan 8.270 nan 0.000 0.436 259 H N -1.092 117.843 119.070 -0.225 0.000 2.547 259 H HA 0.222 4.778 4.556 0.000 0.000 0.266 259 H C 0.792 176.032 175.328 -0.147 0.000 0.988 259 H CA 0.868 56.792 56.048 -0.207 0.000 1.147 259 H CB 0.120 29.666 29.762 -0.360 0.000 1.365 259 H HN 0.520 nan 8.280 nan 0.000 0.589 260 G N 1.075 109.864 108.800 -0.019 0.000 2.147 260 G HA2 -0.270 3.690 3.960 0.000 0.000 0.244 260 G HA3 -0.270 3.690 3.960 0.000 0.000 0.244 260 G C 1.013 175.828 174.900 -0.142 0.000 1.005 260 G CA 0.413 45.474 45.100 -0.065 0.000 0.713 260 G HN 0.448 nan 8.290 nan 0.000 0.515 261 L N -0.458 120.722 121.223 -0.072 0.000 2.446 261 L HA 0.372 4.712 4.340 0.000 0.000 0.219 261 L C 2.197 179.075 176.870 0.013 0.000 1.116 261 L CA 1.393 56.228 54.840 -0.008 0.000 0.844 261 L CB 0.090 42.149 42.059 0.001 0.000 0.970 261 L HN 0.636 nan 8.230 nan 0.000 0.457 262 I N -5.698 114.676 120.570 -0.327 0.000 4.219 262 I HA 0.352 4.522 4.170 0.000 0.000 0.329 262 I C -0.410 174.547 176.117 -1.933 0.000 1.427 262 I CA -0.145 60.486 61.300 -1.116 0.000 1.151 262 I CB 0.616 38.237 38.000 -0.631 0.000 1.369 262 I HN -0.085 nan 8.210 nan 0.000 0.521 263 N N 2.282 120.236 118.700 -1.244 0.000 2.785 263 N HA 0.323 5.063 4.740 0.000 0.000 0.224 263 N C -1.393 173.934 175.510 -0.306 0.000 1.448 263 N CA -0.160 52.150 53.050 -1.234 0.000 0.748 263 N CB 1.229 39.272 38.487 -0.741 0.000 1.385 263 N HN 0.431 nan 8.380 nan 0.000 0.538 264 F N -1.257 118.579 119.950 -0.190 0.000 2.650 264 F HA 0.910 5.437 4.527 0.000 0.000 0.320 264 F C 0.914 176.923 175.800 0.349 0.000 1.091 264 F CA -0.399 57.679 58.000 0.131 0.000 0.962 264 F CB 0.789 39.800 39.000 0.018 0.000 1.363 264 F HN 0.253 nan 8.300 nan 0.000 0.482 265 G N 0.944 109.988 108.800 0.406 0.000 2.488 265 G HA2 -0.126 3.834 3.960 0.000 0.000 0.237 265 G HA3 -0.126 3.834 3.960 0.000 0.000 0.237 265 G C -1.232 173.750 174.900 0.138 0.000 1.209 265 G CA -0.297 44.962 45.100 0.265 0.000 0.929 265 G HN 1.098 nan 8.290 nan 0.000 0.578 266 I N 1.540 122.172 120.570 0.103 0.000 2.382 266 I HA 0.651 4.821 4.170 0.000 0.000 0.285 266 I C -0.113 176.048 176.117 0.074 0.000 1.007 266 I CA -0.884 60.412 61.300 -0.007 0.000 1.142 266 I CB 1.174 39.168 38.000 -0.011 0.000 1.289 266 I HN 0.751 nan 8.210 nan 0.000 0.453 267 Y N 3.151 123.480 120.300 0.049 0.000 2.634 267 Y HA 0.623 5.173 4.550 0.000 0.000 0.340 267 Y C -0.735 175.189 175.900 0.040 0.000 1.058 267 Y CA -1.766 56.369 58.100 0.058 0.000 1.081 267 Y CB 1.003 39.563 38.460 0.166 0.000 1.295 267 Y HN 0.364 nan 8.280 nan 0.000 0.487 268 K N 2.481 123.053 120.400 0.285 0.000 2.258 268 K HA 0.359 4.679 4.320 0.000 0.000 0.284 268 K C -0.594 176.177 176.600 0.283 0.000 1.051 268 K CA -0.533 55.856 56.287 0.169 0.000 0.923 268 K CB 0.633 33.198 32.500 0.109 0.000 1.046 268 K HN 0.807 nan 8.250 nan 0.000 0.474 269 R N 4.135 124.734 120.500 0.165 0.000 2.441 269 R HA 0.129 4.469 4.340 0.000 0.000 0.284 269 R C 1.199 177.577 176.300 0.130 0.000 1.070 269 R CA -0.361 55.858 56.100 0.198 0.000 1.047 269 R CB 0.706 31.070 30.300 0.107 0.000 1.016 269 R HN 0.684 nan 8.270 nan 0.000 0.477 270 I N -0.408 120.238 120.570 0.127 0.000 3.854 270 I HA 0.069 4.239 4.170 0.000 0.000 0.312 270 I C -0.076 176.082 176.117 0.068 0.000 1.273 270 I CA 0.718 62.069 61.300 0.084 0.000 1.298 270 I CB -0.280 37.766 38.000 0.076 0.000 1.071 270 I HN 0.467 nan 8.210 nan 0.000 0.428 271 K N 2.486 122.933 120.400 0.078 0.000 2.535 271 K HA 0.687 5.007 4.320 0.000 0.000 0.253 271 K C -2.882 173.753 176.600 0.058 0.000 0.953 271 K CA -1.691 54.634 56.287 0.063 0.000 0.863 271 K CB 0.945 33.485 32.500 0.068 0.000 1.111 271 K HN -0.167 nan 8.250 nan 0.000 0.431 272 P HA -0.167 nan 4.420 nan 0.000 0.269 272 P C -0.593 176.727 177.300 0.032 0.000 1.200 272 P CA -0.372 62.745 63.100 0.030 0.000 0.779 272 P CB 0.294 32.006 31.700 0.021 0.000 0.841 273 L N 4.348 125.584 121.223 0.021 0.000 2.426 273 L HA 0.246 4.586 4.340 0.000 0.000 0.271 273 L C -1.629 175.253 176.870 0.020 0.000 1.169 273 L CA -1.720 53.132 54.840 0.021 0.000 0.836 273 L CB -0.836 41.224 42.059 0.002 0.000 1.112 273 L HN 0.391 nan 8.230 nan 0.000 0.465 274 P HA -0.024 nan 4.420 nan 0.000 0.264 274 P C 0.499 177.807 177.300 0.014 0.000 1.179 274 P CA 0.133 63.246 63.100 0.023 0.000 0.763 274 P CB 0.131 31.848 31.700 0.028 0.000 0.806 275 T N -0.501 114.060 114.554 0.012 0.000 2.904 275 T HA -0.031 4.319 4.350 0.000 0.000 0.267 275 T C 0.610 175.313 174.700 0.005 0.000 1.059 275 T CA 0.932 63.036 62.100 0.007 0.000 1.137 275 T CB -0.057 68.815 68.868 0.007 0.000 0.879 275 T HN 0.266 nan 8.240 nan 0.000 0.467 276 K N 0.806 121.211 120.400 0.008 0.000 2.281 276 K HA 0.663 4.983 4.320 0.000 0.000 0.242 276 K C -0.848 175.757 176.600 0.010 0.000 0.971 276 K CA -0.706 55.585 56.287 0.007 0.000 0.834 276 K CB 1.740 34.245 32.500 0.008 0.000 1.181 276 K HN 0.215 nan 8.250 nan 0.000 0.435 277 K N 0.750 121.154 120.400 0.007 0.000 2.471 277 K HA 0.341 4.661 4.320 0.000 0.000 0.252 277 K C 0.020 176.626 176.600 0.010 0.000 0.938 277 K CA -0.649 55.643 56.287 0.008 0.000 0.796 277 K CB 1.852 34.350 32.500 -0.003 0.000 1.161 277 K HN 0.452 nan 8.250 nan 0.000 0.425 278 T N 1.415 115.981 114.554 0.019 0.000 2.334 278 T HA -0.179 4.171 4.350 0.000 0.000 0.224 278 T C 1.199 175.910 174.700 0.019 0.000 1.464 278 T CA 1.669 63.786 62.100 0.027 0.000 1.331 278 T CB -0.253 68.640 68.868 0.042 0.000 0.874 278 T HN 0.798 nan 8.240 nan 0.000 0.385 279 G N 0.274 109.079 108.800 0.008 0.000 2.563 279 G HA2 0.510 4.470 3.960 0.000 0.000 0.283 279 G HA3 0.510 4.470 3.960 0.000 0.000 0.283 279 G C -0.690 174.156 174.900 -0.091 0.000 1.309 279 G CA -0.486 44.590 45.100 -0.041 0.000 1.022 279 G HN 0.445 nan 8.290 nan 0.000 0.501 280 K N -0.813 119.499 120.400 -0.147 0.000 2.463 280 K HA 0.563 4.883 4.320 0.000 0.000 0.255 280 K C -1.234 175.247 176.600 -0.198 0.000 0.942 280 K CA -0.458 55.752 56.287 -0.128 0.000 0.814 280 K CB 1.835 34.295 32.500 -0.066 0.000 1.122 280 K HN 0.272 nan 8.250 nan 0.000 0.425 281 V N 5.302 125.109 119.914 -0.178 0.000 2.735 281 V HA 0.542 4.662 4.120 0.000 0.000 0.310 281 V C -0.441 175.573 176.094 -0.133 0.000 1.061 281 V CA -0.862 61.324 62.300 -0.190 0.000 0.913 281 V CB 1.862 33.551 31.823 -0.225 0.000 1.005 281 V HN 0.733 nan 8.190 nan 0.000 0.428 282 I N 4.727 125.228 120.570 -0.114 0.000 2.406 282 I HA 0.502 4.672 4.170 0.000 0.000 0.290 282 I C -0.800 175.243 176.117 -0.123 0.000 0.999 282 I CA -0.430 60.795 61.300 -0.125 0.000 1.124 282 I CB 1.920 39.851 38.000 -0.115 0.000 1.289 282 I HN 0.462 nan 8.210 nan 0.000 0.441 283 I N 7.135 127.621 120.570 -0.139 0.000 2.354 283 I HA 0.373 4.543 4.170 0.000 0.000 0.292 283 I C -0.179 175.862 176.117 -0.128 0.000 0.989 283 I CA -0.598 60.631 61.300 -0.118 0.000 1.188 283 I CB 1.885 39.820 38.000 -0.109 0.000 1.342 283 I HN 0.345 nan 8.210 nan 0.000 0.457 284 I N 6.065 126.576 120.570 -0.098 0.000 2.291 284 I HA 0.515 4.685 4.170 0.000 0.000 0.290 284 I C 0.502 176.581 176.117 -0.063 0.000 1.050 284 I CA -0.108 61.136 61.300 -0.093 0.000 1.245 284 I CB 0.700 38.662 38.000 -0.064 0.000 1.405 284 I HN 0.823 nan 8.210 nan 0.000 0.478 285 G N 3.419 112.167 108.800 -0.088 0.000 3.226 285 G HA2 -0.152 3.808 3.960 0.000 0.000 0.685 285 G HA3 -0.152 3.808 3.960 0.000 0.000 0.685 285 G C -0.233 174.631 174.900 -0.060 0.000 1.207 285 G CA -0.693 44.370 45.100 -0.062 0.000 0.877 285 G HN 0.497 nan 8.290 nan 0.000 0.585 286 S N 1.265 116.927 115.700 -0.063 0.000 2.519 286 S HA 0.544 5.014 4.470 0.000 0.000 0.245 286 S C 1.384 175.970 174.600 -0.025 0.000 1.152 286 S CA 0.815 58.983 58.200 -0.054 0.000 1.175 286 S CB -0.760 62.400 63.200 -0.066 0.000 0.829 286 S HN 1.557 nan 8.310 nan 0.000 0.472 287 G N 0.214 109.009 108.800 -0.009 0.000 2.535 287 G HA2 0.342 4.302 3.960 0.000 0.000 0.282 287 G HA3 0.342 4.302 3.960 0.000 0.000 0.282 287 G C 1.054 175.948 174.900 -0.010 0.000 1.350 287 G CA -0.444 44.659 45.100 0.004 0.000 1.039 287 G HN 0.257 nan 8.290 nan 0.000 0.509 288 V N 0.611 120.514 119.914 -0.018 0.000 2.407 288 V HA -0.182 3.938 4.120 0.000 0.000 0.248 288 V C 3.216 179.300 176.094 -0.017 0.000 1.055 288 V CA 2.567 64.854 62.300 -0.022 0.000 1.049 288 V CB -0.357 31.440 31.823 -0.044 0.000 0.662 288 V HN 0.833 nan 8.190 nan 0.000 0.455 289 S N 0.485 116.177 115.700 -0.012 0.000 2.387 289 S HA -0.061 4.409 4.470 0.000 0.000 0.226 289 S C 2.078 176.666 174.600 -0.021 0.000 1.026 289 S CA 1.254 59.446 58.200 -0.013 0.000 0.972 289 S CB -0.733 62.469 63.200 0.004 0.000 0.814 289 S HN 0.506 nan 8.310 nan 0.000 0.477 290 G N 2.324 111.113 108.800 -0.018 0.000 2.453 290 G HA2 -0.037 3.923 3.960 0.000 0.000 0.215 290 G HA3 -0.037 3.923 3.960 0.000 0.000 0.215 290 G C 1.465 176.334 174.900 -0.051 0.000 1.201 290 G CA 0.930 46.008 45.100 -0.036 0.000 0.784 290 G HN 0.485 nan 8.290 nan 0.000 0.545 291 L N 0.962 122.159 121.223 -0.043 0.000 2.042 291 L HA -0.127 4.213 4.340 0.000 0.000 0.210 291 L C 3.445 180.287 176.870 -0.047 0.000 1.076 291 L CA 1.175 55.988 54.840 -0.046 0.000 0.749 291 L CB -0.495 41.546 42.059 -0.029 0.000 0.893 291 L HN 0.314 nan 8.230 nan 0.000 0.432 292 A N 0.059 122.859 122.820 -0.032 0.000 1.865 292 A HA -0.236 4.084 4.320 0.000 0.000 0.217 292 A C 2.535 180.079 177.584 -0.067 0.000 1.191 292 A CA 2.125 54.145 52.037 -0.028 0.000 0.623 292 A CB -0.900 18.087 19.000 -0.021 0.000 0.826 292 A HN 0.417 nan 8.150 nan 0.000 0.444 293 A N -0.384 122.390 122.820 -0.076 0.000 1.898 293 A HA 0.192 4.512 4.320 0.000 0.000 0.216 293 A C 2.540 180.043 177.584 -0.134 0.000 1.181 293 A CA 2.152 54.127 52.037 -0.104 0.000 0.620 293 A CB -1.119 17.830 19.000 -0.085 0.000 0.819 293 A HN 1.131 nan 8.150 nan 0.000 0.442 294 A N -0.179 122.572 122.820 -0.115 0.000 1.883 294 A HA -0.225 4.095 4.320 0.000 0.000 0.217 294 A C 2.217 179.713 177.584 -0.147 0.000 1.186 294 A CA 2.115 54.077 52.037 -0.124 0.000 0.624 294 A CB -0.514 18.422 19.000 -0.106 0.000 0.822 294 A HN 0.518 nan 8.150 nan 0.000 0.444 295 R N -0.885 119.533 120.500 -0.136 0.000 2.105 295 R HA -0.154 4.186 4.340 0.000 0.000 0.239 295 R C 2.419 178.581 176.300 -0.230 0.000 1.135 295 R CA 1.749 57.758 56.100 -0.151 0.000 0.967 295 R CB -0.205 30.032 30.300 -0.105 0.000 0.861 295 R HN 0.571 nan 8.270 nan 0.000 0.442 296 Q N 0.179 119.804 119.800 -0.291 0.000 2.016 296 Q HA -0.122 4.218 4.340 0.000 0.000 0.200 296 Q C 2.295 177.813 176.000 -0.804 0.000 0.978 296 Q CA 1.405 56.860 55.803 -0.581 0.000 0.833 296 Q CB -0.249 28.180 28.738 -0.515 0.000 0.895 296 Q HN 0.400 nan 8.270 nan 0.000 0.427 297 L N 0.876 121.837 121.223 -0.436 0.000 2.043 297 L HA -0.252 4.088 4.340 0.000 0.000 0.212 297 L C 2.738 179.513 176.870 -0.158 0.000 1.075 297 L CA 1.462 56.166 54.840 -0.226 0.000 0.752 297 L CB -0.523 41.454 42.059 -0.136 0.000 0.891 297 L HN 0.346 nan 8.230 nan 0.000 0.432 298 Q N 0.087 119.781 119.800 -0.176 0.000 2.124 298 Q HA -0.213 4.127 4.340 0.000 0.000 0.202 298 Q C 2.262 178.209 176.000 -0.089 0.000 0.977 298 Q CA 2.097 57.831 55.803 -0.115 0.000 0.850 298 Q CB 0.036 28.702 28.738 -0.120 0.000 0.901 298 Q HN 0.613 nan 8.270 nan 0.000 0.429 299 S N -0.873 114.735 115.700 -0.154 0.000 2.489 299 S HA -0.003 4.468 4.470 0.000 0.000 0.228 299 S C 1.241 175.911 174.600 0.116 0.000 0.995 299 S CA 0.065 58.233 58.200 -0.053 0.000 0.934 299 S CB -0.143 63.017 63.200 -0.067 0.000 0.771 299 S HN 0.308 nan 8.310 nan 0.000 0.522 300 F N 2.383 122.324 119.950 -0.016 0.000 2.811 300 F HA 0.389 4.916 4.527 0.000 0.000 0.301 300 F C 2.025 177.814 175.800 -0.019 0.000 1.151 300 F CA -0.757 57.230 58.000 -0.022 0.000 1.412 300 F CB -0.872 38.103 39.000 -0.042 0.000 1.113 300 F HN 0.425 nan 8.300 nan 0.000 0.579 301 G N 0.286 109.174 108.800 0.147 0.000 2.132 301 G HA2 -0.294 3.666 3.960 0.000 0.000 0.234 301 G HA3 -0.294 3.666 3.960 0.000 0.000 0.234 301 G C 0.395 175.324 174.900 0.047 0.000 0.989 301 G CA 0.035 45.181 45.100 0.077 0.000 0.676 301 G HN 0.251 nan 8.290 nan 0.000 0.522 302 M N 0.019 119.643 119.600 0.039 0.000 2.371 302 M HA 0.428 4.908 4.480 0.000 0.000 0.301 302 M C -0.207 176.073 176.300 -0.034 0.000 1.173 302 M CA -0.655 54.644 55.300 -0.002 0.000 1.020 302 M CB 0.821 33.412 32.600 -0.016 0.000 1.490 302 M HN 0.080 nan 8.290 nan 0.000 0.485 303 D N 1.431 121.801 120.400 -0.051 0.000 2.317 303 D HA 0.462 5.102 4.640 0.000 0.000 0.234 303 D C -1.526 174.727 176.300 -0.078 0.000 1.112 303 D CA -0.207 53.761 54.000 -0.054 0.000 0.840 303 D CB 0.911 41.686 40.800 -0.042 0.000 1.078 303 D HN 0.217 nan 8.370 nan 0.000 0.486 304 V N 3.018 122.884 119.914 -0.080 0.000 2.769 304 V HA 0.668 4.788 4.120 0.000 0.000 0.312 304 V C 0.223 176.258 176.094 -0.098 0.000 1.061 304 V CA -0.661 61.580 62.300 -0.099 0.000 0.931 304 V CB 2.239 33.997 31.823 -0.108 0.000 1.010 304 V HN 0.612 nan 8.190 nan 0.000 0.433 305 T N 4.196 118.678 114.554 -0.120 0.000 2.933 305 T HA 0.745 5.095 4.350 0.000 0.000 0.305 305 T C -1.226 173.365 174.700 -0.180 0.000 1.092 305 T CA -0.470 61.544 62.100 -0.144 0.000 1.008 305 T CB 1.720 70.496 68.868 -0.153 0.000 1.102 305 T HN 0.306 nan 8.240 nan 0.000 0.469 306 L N 2.346 123.456 121.223 -0.188 0.000 2.362 306 L HA 0.633 4.973 4.340 0.000 0.000 0.275 306 L C -0.863 175.866 176.870 -0.235 0.000 0.998 306 L CA -0.534 54.193 54.840 -0.189 0.000 0.820 306 L CB 1.533 43.508 42.059 -0.141 0.000 1.270 306 L HN 0.479 nan 8.230 nan 0.000 0.415 307 L N 2.575 123.647 121.223 -0.252 0.000 2.305 307 L HA 0.640 4.980 4.340 0.000 0.000 0.284 307 L C -0.477 176.263 176.870 -0.217 0.000 1.013 307 L CA -0.517 54.160 54.840 -0.273 0.000 0.819 307 L CB 1.743 43.605 42.059 -0.329 0.000 1.227 307 L HN 0.517 nan 8.230 nan 0.000 0.417 308 E N 1.902 121.971 120.200 -0.219 0.000 2.199 308 E HA 0.519 4.869 4.350 0.000 0.000 0.265 308 E C 0.207 176.605 176.600 -0.338 0.000 0.882 308 E CA -0.326 55.931 56.400 -0.240 0.000 0.759 308 E CB 2.110 31.700 29.700 -0.183 0.000 1.148 308 E HN 0.563 nan 8.360 nan 0.000 0.412 309 A N 5.200 127.690 122.820 -0.550 0.000 1.969 309 A HA -0.014 4.306 4.320 0.000 0.000 0.218 309 A C 1.030 178.115 177.584 -0.831 0.000 1.169 309 A CA 0.921 52.389 52.037 -0.947 0.000 0.635 309 A CB -0.202 17.575 19.000 -2.038 0.000 0.810 309 A HN 0.605 nan 8.150 nan 0.000 0.445 310 R N -0.043 120.073 120.500 -0.640 0.000 2.668 310 R HA 0.258 4.598 4.340 0.000 0.000 0.268 310 R C 0.014 176.229 176.300 -0.141 0.000 1.232 310 R CA 0.244 56.168 56.100 -0.293 0.000 1.166 310 R CB 0.054 30.273 30.300 -0.134 0.000 1.179 310 R HN 0.437 nan 8.270 nan 0.000 0.606 311 D N -0.278 120.095 120.400 -0.044 0.000 2.388 311 D HA 0.051 4.691 4.640 0.000 0.000 0.221 311 D C -0.191 176.100 176.300 -0.016 0.000 1.133 311 D CA -0.299 53.686 54.000 -0.024 0.000 0.831 311 D CB 0.063 40.869 40.800 0.010 0.000 0.962 311 D HN 0.477 nan 8.370 nan 0.000 0.502 312 R N -1.477 119.010 120.500 -0.021 0.000 2.766 312 R HA 0.637 4.977 4.340 0.000 0.000 0.270 312 R C -0.693 175.599 176.300 -0.013 0.000 1.035 312 R CA -1.052 55.045 56.100 -0.005 0.000 0.911 312 R CB 1.012 31.327 30.300 0.025 0.000 1.243 312 R HN -0.108 nan 8.270 nan 0.000 0.460 313 V N -2.214 117.699 119.914 -0.001 0.000 3.406 313 V HA 0.886 5.006 4.120 0.000 0.000 0.305 313 V C 0.942 177.052 176.094 0.025 0.000 1.136 313 V CA 0.341 62.638 62.300 -0.004 0.000 1.011 313 V CB 0.634 32.450 31.823 -0.012 0.000 1.221 313 V HN 1.241 nan 8.190 nan 0.000 0.454 314 G N -0.920 107.892 108.800 0.020 0.000 2.527 314 G HA2 0.084 4.044 3.960 0.000 0.000 0.218 314 G HA3 0.084 4.044 3.960 0.000 0.000 0.218 314 G C 1.901 176.830 174.900 0.048 0.000 1.177 314 G CA 1.107 46.226 45.100 0.031 0.000 0.695 314 G HN 2.796 nan 8.290 nan 0.000 0.517 315 G N 0.304 109.159 108.800 0.092 0.000 2.687 315 G HA2 -0.373 3.587 3.960 0.000 0.000 0.303 315 G HA3 -0.373 3.587 3.960 0.000 0.000 0.303 315 G C 0.843 175.889 174.900 0.243 0.000 1.209 315 G CA 1.268 46.458 45.100 0.151 0.000 0.968 315 G HN 1.263 nan 8.290 nan 0.000 0.549 316 R N 0.523 121.097 120.500 0.124 0.000 2.319 316 R HA 0.362 4.702 4.340 0.000 0.000 0.204 316 R C 0.732 176.976 176.300 -0.093 0.000 0.954 316 R CA 0.726 56.801 56.100 -0.042 0.000 1.066 316 R CB 0.285 30.462 30.300 -0.205 0.000 0.991 316 R HN 0.741 nan 8.270 nan 0.000 0.486 317 V N -0.565 119.354 119.914 0.008 0.000 2.284 317 V HA 0.695 4.815 4.120 0.000 0.000 0.274 317 V C -0.750 175.419 176.094 0.125 0.000 1.023 317 V CA -0.642 61.640 62.300 -0.029 0.000 0.808 317 V CB 1.064 32.761 31.823 -0.210 0.000 1.035 317 V HN 0.087 nan 8.190 nan 0.000 0.445 318 A N 4.329 127.292 122.820 0.238 0.000 2.337 318 A HA 0.902 5.222 4.320 0.000 0.000 0.329 318 A C 0.076 177.800 177.584 0.234 0.000 1.146 318 A CA -0.566 51.629 52.037 0.264 0.000 0.800 318 A CB 1.759 20.980 19.000 0.369 0.000 1.220 318 A HN 0.848 nan 8.150 nan 0.000 0.472 319 T N 2.199 116.871 114.554 0.197 0.000 2.840 319 T HA 0.452 4.802 4.350 0.000 0.000 0.287 319 T C -0.882 173.936 174.700 0.196 0.000 0.991 319 T CA -0.114 62.103 62.100 0.195 0.000 0.964 319 T CB 0.515 69.481 68.868 0.163 0.000 0.954 319 T HN 0.502 nan 8.240 nan 0.000 0.438 320 F N 3.821 123.806 119.950 0.058 0.000 2.396 320 F HA 0.669 5.196 4.527 0.000 0.000 0.343 320 F C 0.375 176.204 175.800 0.048 0.000 1.104 320 F CA -1.018 57.002 58.000 0.032 0.000 1.161 320 F CB 0.554 39.549 39.000 -0.007 0.000 1.146 320 F HN 0.444 nan 8.300 nan 0.000 0.522 321 R N 6.072 126.095 120.500 -0.796 0.000 2.549 321 R HA 0.326 4.666 4.340 0.000 0.000 0.291 321 R C -1.809 174.116 176.300 -0.625 0.000 1.164 321 R CA -0.659 55.075 56.100 -0.611 0.000 0.973 321 R CB 1.015 31.184 30.300 -0.220 0.000 1.210 321 R HN 0.859 nan 8.270 nan 0.000 0.422 322 K N 2.420 122.459 120.400 -0.602 0.000 2.464 322 K HA 0.503 4.823 4.320 0.000 0.000 0.253 322 K C 0.107 176.616 176.600 -0.152 0.000 0.933 322 K CA 0.110 56.233 56.287 -0.274 0.000 0.801 322 K CB 1.837 34.258 32.500 -0.132 0.000 1.271 322 K HN 0.716 nan 8.250 nan 0.000 0.430 323 G N 2.607 111.325 108.800 -0.137 0.000 2.627 323 G HA2 -0.364 3.596 3.960 0.000 0.000 0.312 323 G HA3 -0.364 3.596 3.960 0.000 0.000 0.312 323 G C 0.367 175.109 174.900 -0.264 0.000 1.299 323 G CA 0.476 45.447 45.100 -0.215 0.000 0.989 323 G HN 0.753 nan 8.290 nan 0.000 0.547 324 N N 0.339 118.784 118.700 -0.425 0.000 2.461 324 N HA 0.099 4.839 4.740 0.000 0.000 0.188 324 N C -0.079 175.324 175.510 -0.179 0.000 1.134 324 N CA 0.469 53.352 53.050 -0.279 0.000 0.878 324 N CB -0.002 38.337 38.487 -0.247 0.000 0.972 324 N HN 0.395 nan 8.380 nan 0.000 0.456 325 Y N 0.371 120.650 120.300 -0.036 0.000 2.299 325 Y HA 0.361 4.912 4.550 0.000 0.000 0.326 325 Y C 0.678 176.501 175.900 -0.128 0.000 1.164 325 Y CA -1.408 56.669 58.100 -0.040 0.000 1.234 325 Y CB 0.980 39.432 38.460 -0.012 0.000 1.219 325 Y HN -0.261 nan 8.280 nan 0.000 0.497 326 V N 0.757 120.752 119.914 0.134 0.000 2.752 326 V HA 0.979 5.099 4.120 0.000 0.000 0.302 326 V C -1.478 174.663 176.094 0.079 0.000 1.133 326 V CA -0.572 61.764 62.300 0.060 0.000 0.919 326 V CB 1.251 33.131 31.823 0.095 0.000 1.026 326 V HN 1.096 nan 8.190 nan 0.000 0.429 327 A N 3.823 126.689 122.820 0.077 0.000 2.587 327 A HA 0.864 5.184 4.320 0.000 0.000 0.293 327 A C -1.454 176.213 177.584 0.139 0.000 1.087 327 A CA -0.602 51.387 52.037 -0.079 0.000 0.692 327 A CB 2.003 20.858 19.000 -0.242 0.000 1.291 327 A HN 0.831 nan 8.150 nan 0.000 0.407 328 D N 1.922 122.423 120.400 0.168 0.000 2.412 328 D HA 0.379 5.019 4.640 0.000 0.000 0.224 328 D C 0.811 177.207 176.300 0.160 0.000 1.093 328 D CA -0.053 54.071 54.000 0.206 0.000 0.850 328 D CB 1.431 42.383 40.800 0.252 0.000 1.046 328 D HN 0.439 nan 8.370 nan 0.000 0.507 329 L N 1.332 122.682 121.223 0.213 0.000 2.492 329 L HA 0.141 4.481 4.340 0.000 0.000 0.223 329 L C 1.646 178.794 176.870 0.464 0.000 1.132 329 L CA 0.328 55.331 54.840 0.271 0.000 0.850 329 L CB 0.179 42.374 42.059 0.226 0.000 0.966 329 L HN 0.322 nan 8.230 nan 0.000 0.454 330 G N -0.770 108.228 108.800 0.331 0.000 3.341 330 G HA2 0.549 4.509 3.960 0.000 0.000 0.177 330 G HA3 0.549 4.509 3.960 0.000 0.000 0.177 330 G C -0.329 174.558 174.900 -0.022 0.000 1.236 330 G CA 0.119 45.269 45.100 0.082 0.000 0.888 330 G HN 0.128 nan 8.290 nan 0.000 0.644 331 A N -0.469 122.293 122.820 -0.096 0.000 2.565 331 A HA 0.424 4.744 4.320 0.000 0.000 0.237 331 A C 0.809 178.495 177.584 0.170 0.000 1.053 331 A CA 1.136 53.132 52.037 -0.068 0.000 0.755 331 A CB 0.286 19.094 19.000 -0.321 0.000 0.980 331 A HN 0.702 nan 8.150 nan 0.000 0.506 332 M N 2.595 122.303 119.600 0.180 0.000 2.312 332 M HA 0.217 4.697 4.480 0.000 0.000 0.260 332 M C 0.114 176.489 176.300 0.125 0.000 1.253 332 M CA 0.582 55.978 55.300 0.160 0.000 1.114 332 M CB 0.778 33.347 32.600 -0.051 0.000 1.660 332 M HN 0.834 nan 8.290 nan 0.000 0.581 333 V N 0.466 120.463 119.914 0.138 0.000 2.864 333 V HA 0.699 4.819 4.120 0.000 0.000 0.314 333 V C -1.074 175.099 176.094 0.132 0.000 1.073 333 V CA -0.727 61.640 62.300 0.112 0.000 0.956 333 V CB 2.104 34.029 31.823 0.170 0.000 1.023 333 V HN -0.088 nan 8.190 nan 0.000 0.435 334 V N 3.813 123.760 119.914 0.055 0.000 2.328 334 V HA 0.363 4.483 4.120 0.000 0.000 0.278 334 V C 0.941 177.031 176.094 -0.007 0.000 1.021 334 V CA 0.291 62.626 62.300 0.058 0.000 0.838 334 V CB 1.074 32.893 31.823 -0.007 0.000 0.999 334 V HN 1.087 nan 8.190 nan 0.000 0.447 335 T N 1.643 116.146 114.554 -0.086 0.000 4.475 335 T HA 0.512 4.862 4.350 0.000 0.000 0.254 335 T C 0.680 175.368 174.700 -0.020 0.000 1.160 335 T CA 0.364 62.171 62.100 -0.488 0.000 1.091 335 T CB -0.660 67.934 68.868 -0.457 0.000 1.377 335 T HN 1.765 nan 8.240 nan 0.000 1.057 336 G N 1.391 110.292 108.800 0.168 0.000 2.733 336 G HA2 -0.133 3.827 3.960 0.000 0.000 0.686 336 G HA3 -0.133 3.827 3.960 0.000 0.000 0.686 336 G C 0.024 174.988 174.900 0.107 0.000 1.373 336 G CA -0.442 44.821 45.100 0.271 0.000 0.838 336 G HN 0.638 nan 8.290 nan 0.000 0.588 337 L N 0.757 122.004 121.223 0.040 0.000 2.701 337 L HA 0.331 4.671 4.340 0.000 0.000 0.238 337 L C 1.991 178.766 176.870 -0.158 0.000 1.106 337 L CA 0.381 55.153 54.840 -0.114 0.000 0.898 337 L CB 0.239 42.270 42.059 -0.047 0.000 1.188 337 L HN 0.858 nan 8.230 nan 0.000 0.508 338 G N 0.660 109.477 108.800 0.029 0.000 2.526 338 G HA2 0.328 4.288 3.960 0.000 0.000 0.293 338 G HA3 0.328 4.288 3.960 0.000 0.000 0.293 338 G C 1.148 175.961 174.900 -0.146 0.000 0.882 338 G CA 0.649 45.861 45.100 0.187 0.000 1.656 338 G HN 0.465 nan 8.290 nan 0.000 0.474 339 G N 1.869 110.433 108.800 -0.393 0.000 2.175 339 G HA2 -0.297 3.663 3.960 0.000 0.000 0.244 339 G HA3 -0.297 3.663 3.960 0.000 0.000 0.244 339 G C 0.455 174.754 174.900 -1.002 0.000 0.982 339 G CA 0.121 44.853 45.100 -0.613 0.000 0.641 339 G HN 0.941 nan 8.290 nan 0.000 0.527 340 N N 1.303 119.232 118.700 -1.285 0.000 2.420 340 N HA 0.394 5.134 4.740 0.000 0.000 0.249 340 N C -0.300 174.910 175.510 -0.501 0.000 1.033 340 N CA -1.992 50.245 53.050 -1.354 0.000 0.944 340 N CB 1.676 39.429 38.487 -1.224 0.000 1.113 340 N HN 0.096 nan 8.380 nan 0.000 0.502 341 P HA -0.174 nan 4.420 nan 0.000 0.220 341 P C 1.282 178.620 177.300 0.063 0.000 1.144 341 P CA 0.940 64.030 63.100 -0.017 0.000 0.800 341 P CB 0.240 31.913 31.700 -0.044 0.000 0.772 342 M N -0.742 118.851 119.600 -0.011 0.000 2.539 342 M HA -0.065 4.415 4.480 0.000 0.000 0.261 342 M C 2.086 178.389 176.300 0.006 0.000 1.069 342 M CA 0.957 56.288 55.300 0.050 0.000 1.081 342 M CB -1.585 31.059 32.600 0.074 0.000 1.412 342 M HN -0.040 nan 8.290 nan 0.000 0.482 343 A N -0.205 122.585 122.820 -0.049 0.000 1.873 343 A HA -0.065 4.255 4.320 0.000 0.000 0.215 343 A C 2.400 179.956 177.584 -0.046 0.000 1.186 343 A CA 1.528 53.529 52.037 -0.060 0.000 0.616 343 A CB -0.787 18.158 19.000 -0.091 0.000 0.823 343 A HN 0.266 nan 8.150 nan 0.000 0.442 344 V N -0.205 119.700 119.914 -0.015 0.000 2.237 344 V HA -0.249 3.871 4.120 0.000 0.000 0.245 344 V C 2.587 178.657 176.094 -0.040 0.000 1.046 344 V CA 2.099 64.354 62.300 -0.075 0.000 1.007 344 V CB -0.988 30.824 31.823 -0.018 0.000 0.638 344 V HN 0.354 nan 8.190 nan 0.000 0.445 345 V N -0.166 119.794 119.914 0.077 0.000 2.380 345 V HA -0.314 3.806 4.120 0.000 0.000 0.251 345 V C 2.690 178.805 176.094 0.036 0.000 1.063 345 V CA 2.431 64.786 62.300 0.091 0.000 1.055 345 V CB -0.904 31.016 31.823 0.161 0.000 0.657 345 V HN 0.618 nan 8.190 nan 0.000 0.455 346 S N -0.444 115.264 115.700 0.014 0.000 2.359 346 S HA -0.256 4.214 4.470 0.000 0.000 0.224 346 S C 1.987 176.567 174.600 -0.034 0.000 1.035 346 S CA 1.855 60.046 58.200 -0.015 0.000 1.018 346 S CB -0.239 62.939 63.200 -0.036 0.000 0.876 346 S HN 0.666 nan 8.310 nan 0.000 0.448 347 K N 0.262 120.627 120.400 -0.058 0.000 2.439 347 K HA 0.018 4.338 4.320 0.000 0.000 0.197 347 K C 2.346 178.903 176.600 -0.073 0.000 1.041 347 K CA 0.775 57.016 56.287 -0.076 0.000 0.970 347 K CB -0.054 32.378 32.500 -0.114 0.000 0.773 347 K HN 0.534 nan 8.250 nan 0.000 0.479 348 Q N -0.023 119.742 119.800 -0.058 0.000 2.165 348 Q HA -0.007 4.333 4.340 0.000 0.000 0.197 348 Q C 1.921 177.914 176.000 -0.013 0.000 0.952 348 Q CA 0.729 56.509 55.803 -0.039 0.000 0.848 348 Q CB 0.333 29.061 28.738 -0.016 0.000 0.931 348 Q HN 0.035 nan 8.270 nan 0.000 0.470 349 V N 1.569 121.484 119.914 0.001 0.000 3.306 349 V HA -0.078 4.042 4.120 0.000 0.000 0.264 349 V C 0.378 176.473 176.094 0.001 0.000 1.149 349 V CA 0.366 62.672 62.300 0.011 0.000 1.143 349 V CB -0.525 31.319 31.823 0.034 0.000 0.767 349 V HN 0.554 nan 8.190 nan 0.000 0.476 350 N N 0.855 119.548 118.700 -0.012 0.000 2.522 350 N HA -0.206 4.534 4.740 0.000 0.000 0.281 350 N C -0.692 174.810 175.510 -0.013 0.000 1.267 350 N CA 0.513 53.553 53.050 -0.016 0.000 0.675 350 N CB -0.716 37.764 38.487 -0.013 0.000 0.890 350 N HN 0.501 nan 8.380 nan 0.000 0.542 351 M N 2.342 121.928 119.600 -0.023 0.000 2.205 351 M HA 0.305 4.785 4.480 0.000 0.000 0.344 351 M C -0.344 175.930 176.300 -0.043 0.000 1.085 351 M CA -0.506 54.773 55.300 -0.035 0.000 1.001 351 M CB 0.877 33.445 32.600 -0.053 0.000 1.626 351 M HN 0.038 nan 8.290 nan 0.000 0.442 352 E N 6.238 126.414 120.200 -0.040 0.000 1.963 352 E HA 0.289 4.639 4.350 0.000 0.000 0.274 352 E C -1.137 175.431 176.600 -0.054 0.000 1.061 352 E CA -0.020 56.358 56.400 -0.036 0.000 0.847 352 E CB 0.159 29.846 29.700 -0.020 0.000 1.083 352 E HN 0.705 nan 8.360 nan 0.000 0.402 353 L N 1.509 122.700 121.223 -0.054 0.000 2.312 353 L HA 0.607 4.947 4.340 0.000 0.000 0.281 353 L C 0.238 177.091 176.870 -0.030 0.000 1.070 353 L CA -0.849 53.957 54.840 -0.057 0.000 0.805 353 L CB 1.328 43.354 42.059 -0.055 0.000 1.174 353 L HN 0.343 nan 8.230 nan 0.000 0.434 354 A N 3.688 126.493 122.820 -0.024 0.000 2.343 354 A HA 0.528 4.848 4.320 0.000 0.000 0.308 354 A C -0.575 177.028 177.584 0.031 0.000 1.092 354 A CA -0.814 51.223 52.037 -0.001 0.000 0.751 354 A CB 0.981 19.973 19.000 -0.015 0.000 1.203 354 A HN 0.708 nan 8.150 nan 0.000 0.452 355 K N 1.224 121.651 120.400 0.045 0.000 2.336 355 K HA 0.314 4.634 4.320 0.000 0.000 0.262 355 K C -0.703 175.947 176.600 0.083 0.000 0.992 355 K CA 0.425 56.756 56.287 0.072 0.000 0.927 355 K CB 0.570 33.106 32.500 0.061 0.000 0.956 355 K HN 0.607 nan 8.250 nan 0.000 0.495 356 I N 2.563 123.198 120.570 0.109 0.000 2.339 356 I HA 0.141 4.311 4.170 0.000 0.000 0.290 356 I C -0.074 176.067 176.117 0.040 0.000 0.994 356 I CA -0.774 60.581 61.300 0.091 0.000 1.191 356 I CB 1.226 39.319 38.000 0.154 0.000 1.343 356 I HN 0.320 nan 8.210 nan 0.000 0.458 357 K N 5.613 126.022 120.400 0.015 0.000 2.447 357 K HA 0.017 4.337 4.320 0.000 0.000 0.281 357 K C 0.187 176.778 176.600 -0.015 0.000 1.031 357 K CA -0.086 56.205 56.287 0.007 0.000 1.019 357 K CB 0.494 33.002 32.500 0.013 0.000 0.918 357 K HN 0.536 nan 8.250 nan 0.000 0.476 358 Q N 3.783 123.581 119.800 -0.003 0.000 2.815 358 Q HA -0.010 4.330 4.340 0.000 0.000 0.235 358 Q C -1.074 174.924 176.000 -0.003 0.000 1.354 358 Q CA 0.125 55.925 55.803 -0.006 0.000 0.953 358 Q CB 0.040 28.781 28.738 0.004 0.000 1.613 358 Q HN 0.292 nan 8.270 nan 0.000 0.572 359 K N 2.096 122.487 120.400 -0.015 0.000 2.606 359 K HA 0.230 4.550 4.320 0.000 0.000 0.259 359 K C -2.388 174.207 176.600 -0.009 0.000 1.001 359 K CA -0.499 55.785 56.287 -0.004 0.000 0.881 359 K CB 0.912 33.418 32.500 0.011 0.000 1.288 359 K HN 0.287 nan 8.250 nan 0.000 0.452 360 C N 7.623 126.915 119.300 -0.013 0.000 2.547 360 C HA 0.635 5.095 4.460 0.000 0.000 0.327 360 C C -2.576 172.401 174.990 -0.022 0.000 1.076 360 C CA -1.555 57.458 59.018 -0.008 0.000 1.390 360 C CB 0.573 28.293 27.740 -0.032 0.000 1.918 360 C HN 0.748 nan 8.230 nan 0.000 0.438 361 P HA 0.241 nan 4.420 nan 0.000 0.276 361 P C -0.982 176.408 177.300 0.150 0.000 1.243 361 P CA 0.222 63.385 63.100 0.106 0.000 0.768 361 P CB 0.806 32.666 31.700 0.267 0.000 0.856 362 L N 4.716 125.895 121.223 -0.074 0.000 2.257 362 L HA 0.334 4.674 4.340 0.000 0.000 0.290 362 L C 0.091 176.941 176.870 -0.034 0.000 1.044 362 L CA -0.806 53.948 54.840 -0.144 0.000 0.810 362 L CB 0.056 41.845 42.059 -0.451 0.000 1.193 362 L HN 0.330 nan 8.230 nan 0.000 0.425 363 Y N 1.485 121.680 120.300 -0.175 0.000 2.419 363 Y HA 0.358 4.908 4.550 0.000 0.000 0.328 363 Y C 0.542 176.335 175.900 -0.178 0.000 1.162 363 Y CA -1.044 56.953 58.100 -0.170 0.000 1.174 363 Y CB 1.127 39.470 38.460 -0.194 0.000 1.228 363 Y HN 0.495 nan 8.280 nan 0.000 0.473 364 E N 0.412 120.582 120.200 -0.050 0.000 2.283 364 E HA 0.402 4.752 4.350 0.000 0.000 0.267 364 E C 0.505 177.032 176.600 -0.122 0.000 1.045 364 E CA -0.148 56.190 56.400 -0.104 0.000 0.884 364 E CB 1.367 31.012 29.700 -0.093 0.000 1.106 364 E HN 0.837 nan 8.360 nan 0.000 0.408 365 A N 2.756 125.475 122.820 -0.168 0.000 2.054 365 A HA -0.278 4.042 4.320 0.000 0.000 0.223 365 A C 1.670 179.253 177.584 -0.002 0.000 1.169 365 A CA 2.295 54.261 52.037 -0.118 0.000 0.655 365 A CB -0.722 18.252 19.000 -0.044 0.000 0.812 365 A HN 0.692 nan 8.150 nan 0.000 0.462 366 N N -1.669 117.020 118.700 -0.019 0.000 2.463 366 N HA 0.235 4.975 4.740 0.000 0.000 0.181 366 N C 1.036 176.542 175.510 -0.007 0.000 1.078 366 N CA 1.716 54.763 53.050 -0.006 0.000 0.902 366 N CB -0.164 38.312 38.487 -0.019 0.000 0.970 366 N HN 0.819 nan 8.380 nan 0.000 0.451 367 G N -1.417 107.376 108.800 -0.011 0.000 2.260 367 G HA2 -0.155 3.805 3.960 0.000 0.000 0.179 367 G HA3 -0.155 3.805 3.960 0.000 0.000 0.179 367 G C -0.419 174.474 174.900 -0.011 0.000 1.002 367 G CA 0.015 45.103 45.100 -0.021 0.000 0.677 367 G HN 0.459 nan 8.290 nan 0.000 0.486 368 Q N -0.053 119.727 119.800 -0.033 0.000 2.552 368 Q HA 0.796 5.136 4.340 0.000 0.000 0.289 368 Q C 0.110 175.986 176.000 -0.206 0.000 1.097 368 Q CA -0.374 55.374 55.803 -0.091 0.000 0.812 368 Q CB 1.797 30.477 28.738 -0.096 0.000 1.460 368 Q HN 0.767 nan 8.270 nan 0.000 0.452 369 A N 0.589 123.169 122.820 -0.399 0.000 2.280 369 A HA 0.502 4.822 4.320 0.000 0.000 0.268 369 A C -0.274 177.115 177.584 -0.325 0.000 1.111 369 A CA -0.411 51.293 52.037 -0.554 0.000 0.814 369 A CB 0.494 19.025 19.000 -0.781 0.000 1.093 369 A HN 0.355 nan 8.150 nan 0.000 0.498 370 V N 2.026 121.748 119.914 -0.319 0.000 2.398 370 V HA 0.234 4.354 4.120 0.000 0.000 0.286 370 V C -1.308 174.680 176.094 -0.178 0.000 1.026 370 V CA -0.775 61.399 62.300 -0.209 0.000 0.868 370 V CB 0.887 32.594 31.823 -0.193 0.000 0.982 370 V HN 0.943 nan 8.190 nan 0.000 0.443 371 P HA -0.205 nan 4.420 nan 0.000 0.205 371 P C 1.037 178.281 177.300 -0.093 0.000 1.046 371 P CA 1.767 64.806 63.100 -0.102 0.000 0.968 371 P CB 0.260 31.913 31.700 -0.079 0.000 0.753 372 K N -4.434 115.919 120.400 -0.078 0.000 2.159 372 K HA -0.087 4.234 4.320 0.000 0.000 0.154 372 K C 1.745 178.317 176.600 -0.048 0.000 2.479 372 K CA 0.651 56.901 56.287 -0.062 0.000 1.260 372 K CB -1.077 31.394 32.500 -0.049 0.000 2.751 372 K HN -0.080 nan 8.250 nan 0.000 0.414 373 E N 2.215 122.390 120.200 -0.042 0.000 2.058 373 E HA -0.159 4.191 4.350 0.000 0.000 0.194 373 E C 1.364 177.940 176.600 -0.040 0.000 0.997 373 E CA 2.003 58.384 56.400 -0.032 0.000 0.801 373 E CB 0.082 29.765 29.700 -0.027 0.000 0.746 373 E HN 0.213 nan 8.360 nan 0.000 0.450 374 K N 0.685 121.053 120.400 -0.053 0.000 2.071 374 K HA -0.240 4.080 4.320 0.000 0.000 0.217 374 K C 2.033 178.593 176.600 -0.066 0.000 1.054 374 K CA 1.879 58.127 56.287 -0.064 0.000 0.937 374 K CB -0.873 31.580 32.500 -0.078 0.000 0.719 374 K HN 0.372 nan 8.250 nan 0.000 0.454 375 D N 0.628 120.988 120.400 -0.066 0.000 2.117 375 D HA -0.155 4.485 4.640 0.000 0.000 0.198 375 D C 1.895 178.179 176.300 -0.027 0.000 0.982 375 D CA 1.021 54.991 54.000 -0.049 0.000 0.828 375 D CB 0.061 40.825 40.800 -0.061 0.000 0.967 375 D HN 0.339 nan 8.370 nan 0.000 0.464 376 E N -0.439 119.748 120.200 -0.022 0.000 2.153 376 E HA -0.154 4.196 4.350 0.000 0.000 0.194 376 E C 2.174 178.770 176.600 -0.006 0.000 0.988 376 E CA 0.549 56.947 56.400 -0.003 0.000 0.811 376 E CB -0.062 29.637 29.700 -0.003 0.000 0.746 376 E HN 0.255 nan 8.360 nan 0.000 0.466 377 M N 0.241 119.827 119.600 -0.022 0.000 2.098 377 M HA -0.139 4.341 4.480 0.000 0.000 0.262 377 M C 2.099 178.376 176.300 -0.038 0.000 1.072 377 M CA 1.225 56.515 55.300 -0.018 0.000 1.133 377 M CB 0.008 32.594 32.600 -0.022 0.000 1.344 377 M HN 0.087 nan 8.290 nan 0.000 0.414 378 V N 0.797 120.656 119.914 -0.091 0.000 2.237 378 V HA -0.293 3.827 4.120 0.000 0.000 0.245 378 V C 2.234 178.190 176.094 -0.231 0.000 1.046 378 V CA 2.422 64.615 62.300 -0.177 0.000 1.007 378 V CB -1.163 30.513 31.823 -0.245 0.000 0.638 378 V HN 0.591 nan 8.190 nan 0.000 0.445 379 E N -0.268 119.781 120.200 -0.251 0.000 2.147 379 E HA -0.333 4.017 4.350 0.000 0.000 0.199 379 E C 2.300 178.940 176.600 0.067 0.000 1.005 379 E CA 1.889 58.222 56.400 -0.112 0.000 0.810 379 E CB -0.144 29.627 29.700 0.119 0.000 0.736 379 E HN 0.670 nan 8.360 nan 0.000 0.460 380 Q N -0.064 119.760 119.800 0.039 0.000 2.016 380 Q HA -0.212 4.128 4.340 0.000 0.000 0.200 380 Q C 2.042 178.093 176.000 0.084 0.000 0.978 380 Q CA 1.369 57.214 55.803 0.069 0.000 0.833 380 Q CB 0.018 28.784 28.738 0.047 0.000 0.895 380 Q HN 0.214 nan 8.270 nan 0.000 0.427 381 E N 0.282 120.519 120.200 0.061 0.000 2.070 381 E HA -0.196 4.154 4.350 0.000 0.000 0.197 381 E C 1.684 178.348 176.600 0.107 0.000 1.004 381 E CA 0.945 57.401 56.400 0.094 0.000 0.805 381 E CB -0.588 29.147 29.700 0.057 0.000 0.744 381 E HN 0.345 nan 8.360 nan 0.000 0.451 382 F N 2.529 122.435 119.950 -0.073 0.000 2.043 382 F HA -0.293 4.234 4.527 0.000 0.000 0.297 382 F C 1.951 177.810 175.800 0.099 0.000 1.121 382 F CA 1.836 59.822 58.000 -0.024 0.000 1.199 382 F CB -0.465 38.478 39.000 -0.096 0.000 0.968 382 F HN 0.020 nan 8.300 nan 0.000 0.478 383 N N 1.004 119.818 118.700 0.191 0.000 2.007 383 N HA -0.261 4.479 4.740 0.000 0.000 0.197 383 N C 1.913 177.444 175.510 0.034 0.000 1.050 383 N CA 2.334 55.454 53.050 0.118 0.000 0.856 383 N CB -0.835 37.756 38.487 0.173 0.000 1.050 383 N HN 0.470 nan 8.380 nan 0.000 0.423 384 R N 1.040 121.572 120.500 0.054 0.000 2.103 384 R HA -0.076 4.264 4.340 0.000 0.000 0.242 384 R C 2.432 178.753 176.300 0.034 0.000 1.142 384 R CA 1.124 57.250 56.100 0.044 0.000 0.960 384 R CB -0.971 29.359 30.300 0.051 0.000 0.858 384 R HN 0.197 nan 8.270 nan 0.000 0.439 385 L N 0.555 121.793 121.223 0.025 0.000 1.970 385 L HA -0.193 4.147 4.340 0.000 0.000 0.212 385 L C 2.532 179.395 176.870 -0.011 0.000 1.071 385 L CA 0.940 55.797 54.840 0.029 0.000 0.751 385 L CB -0.535 41.560 42.059 0.060 0.000 0.889 385 L HN 0.137 nan 8.230 nan 0.000 0.432 386 L N -0.048 121.105 121.223 -0.117 0.000 2.127 386 L HA -0.226 4.114 4.340 0.000 0.000 0.211 386 L C 2.428 179.341 176.870 0.073 0.000 1.089 386 L CA 1.688 56.487 54.840 -0.068 0.000 0.757 386 L CB -0.586 41.357 42.059 -0.194 0.000 0.899 386 L HN 0.244 nan 8.230 nan 0.000 0.434 387 E N -1.176 119.060 120.200 0.060 0.000 2.072 387 E HA -0.215 4.135 4.350 0.000 0.000 0.191 387 E C 2.205 178.879 176.600 0.123 0.000 0.985 387 E CA 1.029 57.483 56.400 0.089 0.000 0.801 387 E CB -0.212 29.521 29.700 0.054 0.000 0.750 387 E HN 0.602 nan 8.360 nan 0.000 0.452 388 A N 0.996 123.882 122.820 0.109 0.000 1.859 388 A HA -0.252 4.068 4.320 0.000 0.000 0.217 388 A C 2.406 180.079 177.584 0.148 0.000 1.198 388 A CA 2.315 54.437 52.037 0.143 0.000 0.629 388 A CB -1.293 17.758 19.000 0.086 0.000 0.830 388 A HN 0.231 nan 8.150 nan 0.000 0.446 389 T N 0.407 115.028 114.554 0.113 0.000 2.653 389 T HA -0.231 4.119 4.350 0.000 0.000 0.267 389 T C 2.198 176.977 174.700 0.133 0.000 1.037 389 T CA 2.078 64.247 62.100 0.115 0.000 1.159 389 T CB -0.523 68.409 68.868 0.106 0.000 0.859 389 T HN 0.519 nan 8.240 nan 0.000 0.449 390 S N -0.010 115.794 115.700 0.175 0.000 2.345 390 S HA -0.078 4.392 4.470 0.000 0.000 0.220 390 S C 1.712 176.419 174.600 0.178 0.000 1.031 390 S CA 0.884 59.184 58.200 0.167 0.000 0.996 390 S CB -0.541 62.801 63.200 0.236 0.000 0.882 390 S HN 0.524 nan 8.310 nan 0.000 0.445 391 Y N 3.014 123.351 120.300 0.062 0.000 2.151 391 Y HA -0.138 4.412 4.550 0.000 0.000 0.284 391 Y C 1.873 177.788 175.900 0.025 0.000 1.166 391 Y CA 1.009 59.139 58.100 0.051 0.000 1.163 391 Y CB -0.848 37.630 38.460 0.031 0.000 0.974 391 Y HN 0.196 nan 8.280 nan 0.000 0.511 392 L N -1.476 119.757 121.223 0.017 0.000 2.093 392 L HA -0.142 4.198 4.340 0.000 0.000 0.208 392 L C 2.662 179.547 176.870 0.025 0.000 1.085 392 L CA 1.406 56.212 54.840 -0.057 0.000 0.755 392 L CB -1.182 40.906 42.059 0.048 0.000 0.904 392 L HN 0.144 nan 8.230 nan 0.000 0.435 393 S N -0.504 115.168 115.700 -0.046 0.000 2.355 393 S HA -0.149 4.321 4.470 0.000 0.000 0.210 393 S C 2.070 176.574 174.600 -0.160 0.000 1.035 393 S CA 0.877 58.971 58.200 -0.176 0.000 1.011 393 S CB -0.287 62.652 63.200 -0.435 0.000 1.000 393 S HN 0.433 nan 8.310 nan 0.000 0.423 394 H N 0.989 120.098 119.070 0.065 0.000 2.253 394 H HA -0.000 4.556 4.556 0.000 0.000 0.296 394 H C 2.434 177.802 175.328 0.066 0.000 1.074 394 H CA 1.632 57.712 56.048 0.054 0.000 1.263 394 H CB -1.030 28.767 29.762 0.059 0.000 1.363 394 H HN 0.450 nan 8.280 nan 0.000 0.489 395 Q N 0.344 120.282 119.800 0.230 0.000 2.291 395 Q HA -0.022 4.318 4.340 0.000 0.000 0.206 395 Q C 1.965 177.977 176.000 0.020 0.000 0.976 395 Q CA 0.751 56.658 55.803 0.174 0.000 0.875 395 Q CB 0.161 29.133 28.738 0.389 0.000 0.927 395 Q HN 0.445 nan 8.270 nan 0.000 0.450 396 L N -0.804 120.398 121.223 -0.035 0.000 2.966 396 L HA 0.109 4.449 4.340 0.000 0.000 0.262 396 L C -0.167 176.714 176.870 0.018 0.000 1.165 396 L CA -0.114 54.688 54.840 -0.063 0.000 0.978 396 L CB 0.799 42.751 42.059 -0.179 0.000 1.337 396 L HN -0.036 nan 8.230 nan 0.000 0.563 397 D N 0.033 120.459 120.400 0.044 0.000 3.041 397 D HA -0.256 4.384 4.640 0.000 0.000 0.220 397 D C 0.033 176.394 176.300 0.103 0.000 1.157 397 D CA 0.680 54.713 54.000 0.056 0.000 0.876 397 D CB -1.036 39.792 40.800 0.047 0.000 1.107 397 D HN 0.141 nan 8.370 nan 0.000 0.422 398 F N 1.530 121.434 119.950 -0.076 0.000 2.626 398 F HA 0.291 4.818 4.527 0.000 0.000 0.353 398 F C 0.640 176.400 175.800 -0.067 0.000 1.230 398 F CA -0.238 57.718 58.000 -0.072 0.000 1.298 398 F CB -0.528 38.419 39.000 -0.088 0.000 1.670 398 F HN -0.068 nan 8.300 nan 0.000 0.633 399 N N 0.690 119.237 118.700 -0.255 0.000 2.081 399 N HA 0.195 4.935 4.740 0.000 0.000 0.230 399 N C -1.298 174.074 175.510 -0.231 0.000 1.351 399 N CA -0.050 52.821 53.050 -0.298 0.000 0.840 399 N CB 1.086 39.473 38.487 -0.168 0.000 1.189 399 N HN 0.036 nan 8.380 nan 0.000 0.503 400 V N 1.700 121.495 119.914 -0.198 0.000 2.465 400 V HA 0.341 4.461 4.120 0.000 0.000 0.263 400 V C -1.202 174.831 176.094 -0.102 0.000 0.981 400 V CA -0.682 61.548 62.300 -0.117 0.000 0.838 400 V CB 1.342 33.136 31.823 -0.048 0.000 1.068 400 V HN 0.166 nan 8.190 nan 0.000 0.458 401 L N 4.192 125.327 121.223 -0.146 0.000 2.262 401 L HA 0.668 5.008 4.340 0.000 0.000 0.288 401 L C 0.475 177.323 176.870 -0.038 0.000 1.035 401 L CA 0.576 55.372 54.840 -0.074 0.000 0.820 401 L CB 0.433 42.426 42.059 -0.109 0.000 1.204 401 L HN 0.608 nan 8.230 nan 0.000 0.424 402 N N 3.874 122.569 118.700 -0.008 0.000 2.746 402 N HA -0.255 4.485 4.740 0.000 0.000 0.250 402 N C 0.171 175.674 175.510 -0.012 0.000 1.055 402 N CA 1.019 54.066 53.050 -0.005 0.000 0.699 402 N CB -1.477 37.008 38.487 -0.002 0.000 0.919 402 N HN 0.923 nan 8.380 nan 0.000 0.548 403 N N -0.788 117.905 118.700 -0.013 0.000 2.721 403 N HA -0.233 4.507 4.740 0.000 0.000 0.249 403 N C -1.328 174.171 175.510 -0.018 0.000 1.072 403 N CA 1.764 54.807 53.050 -0.012 0.000 0.710 403 N CB -0.333 38.151 38.487 -0.006 0.000 0.993 403 N HN 0.634 nan 8.380 nan 0.000 0.547 404 K N -0.419 119.962 120.400 -0.032 0.000 2.523 404 K HA 0.427 4.747 4.320 0.000 0.000 0.257 404 K C -2.827 173.736 176.600 -0.062 0.000 0.932 404 K CA -1.715 54.549 56.287 -0.038 0.000 0.812 404 K CB 2.527 35.003 32.500 -0.039 0.000 1.326 404 K HN -0.052 nan 8.250 nan 0.000 0.433 405 P HA 0.066 nan 4.420 nan 0.000 0.276 405 P C -0.103 177.131 177.300 -0.111 0.000 1.235 405 P CA -0.366 62.694 63.100 -0.066 0.000 0.772 405 P CB 0.794 32.485 31.700 -0.016 0.000 0.871 406 V N 2.894 122.694 119.914 -0.189 0.000 2.715 406 V HA 0.092 4.212 4.120 0.000 0.000 0.299 406 V C 1.298 177.293 176.094 -0.165 0.000 1.054 406 V CA 0.411 62.556 62.300 -0.258 0.000 1.077 406 V CB 0.787 32.311 31.823 -0.498 0.000 0.972 406 V HN 0.702 nan 8.190 nan 0.000 0.484 407 S N 2.756 118.366 115.700 -0.149 0.000 2.713 407 S HA 0.396 4.866 4.470 0.000 0.000 0.283 407 S C 0.683 175.191 174.600 -0.154 0.000 1.161 407 S CA -0.624 57.500 58.200 -0.127 0.000 0.999 407 S CB 1.301 64.430 63.200 -0.119 0.000 1.039 407 S HN 0.613 nan 8.310 nan 0.000 0.548 408 L N 3.656 124.757 121.223 -0.205 0.000 2.044 408 L HA 0.242 4.582 4.340 0.000 0.000 0.205 408 L C 2.370 179.093 176.870 -0.246 0.000 1.075 408 L CA 2.502 57.173 54.840 -0.283 0.000 0.747 408 L CB -1.352 40.405 42.059 -0.503 0.000 0.903 408 L HN 0.905 nan 8.230 nan 0.000 0.435 409 G N -1.391 107.260 108.800 -0.249 0.000 2.469 409 G HA2 -0.315 3.645 3.960 0.000 0.000 0.219 409 G HA3 -0.315 3.645 3.960 0.000 0.000 0.219 409 G C 1.449 176.251 174.900 -0.163 0.000 1.150 409 G CA 0.913 45.870 45.100 -0.238 0.000 0.763 409 G HN 0.516 nan 8.290 nan 0.000 0.561 410 Q N 0.093 119.820 119.800 -0.122 0.000 1.975 410 Q HA -0.114 4.226 4.340 0.000 0.000 0.205 410 Q C 3.102 179.093 176.000 -0.014 0.000 0.990 410 Q CA 1.580 57.344 55.803 -0.065 0.000 0.845 410 Q CB -0.397 28.294 28.738 -0.078 0.000 0.913 410 Q HN 0.455 nan 8.270 nan 0.000 0.420 411 A N 0.864 123.684 122.820 -0.000 0.000 1.948 411 A HA -0.195 4.125 4.320 0.000 0.000 0.220 411 A C 2.033 179.629 177.584 0.020 0.000 1.177 411 A CA 1.307 53.393 52.037 0.081 0.000 0.636 411 A CB -0.825 18.223 19.000 0.079 0.000 0.815 411 A HN 0.360 nan 8.150 nan 0.000 0.449 412 L N -1.335 119.853 121.223 -0.060 0.000 2.265 412 L HA -0.165 4.175 4.340 0.000 0.000 0.215 412 L C 2.442 179.293 176.870 -0.032 0.000 1.117 412 L CA 1.466 56.261 54.840 -0.075 0.000 0.782 412 L CB -0.419 41.501 42.059 -0.231 0.000 0.914 412 L HN 0.535 nan 8.230 nan 0.000 0.441 413 E N -0.807 119.374 120.200 -0.032 0.000 2.140 413 E HA -0.100 4.250 4.350 0.000 0.000 0.191 413 E C 2.257 178.874 176.600 0.028 0.000 0.973 413 E CA 0.306 56.705 56.400 -0.002 0.000 0.829 413 E CB 0.326 30.014 29.700 -0.020 0.000 0.781 413 E HN 0.126 nan 8.360 nan 0.000 0.466 414 V N 0.684 120.621 119.914 0.040 0.000 2.220 414 V HA -0.295 3.825 4.120 0.000 0.000 0.246 414 V C 2.260 178.363 176.094 0.015 0.000 1.049 414 V CA 1.603 63.925 62.300 0.035 0.000 1.003 414 V CB -0.399 31.461 31.823 0.063 0.000 0.634 414 V HN 0.147 nan 8.190 nan 0.000 0.444 415 V N -0.071 119.857 119.914 0.022 0.000 2.220 415 V HA -0.372 3.748 4.120 0.000 0.000 0.250 415 V C 2.173 178.293 176.094 0.043 0.000 1.053 415 V CA 2.798 65.111 62.300 0.022 0.000 1.019 415 V CB -0.593 31.256 31.823 0.043 0.000 0.646 415 V HN 0.476 nan 8.190 nan 0.000 0.455 416 I N -0.641 119.990 120.570 0.101 0.000 2.229 416 I HA -0.410 3.760 4.170 0.000 0.000 0.250 416 I C 2.691 178.886 176.117 0.130 0.000 1.096 416 I CA 1.910 63.320 61.300 0.184 0.000 1.358 416 I CB -0.513 37.617 38.000 0.217 0.000 1.047 416 I HN 0.509 nan 8.210 nan 0.000 0.422 417 Q N 0.321 120.166 119.800 0.075 0.000 2.050 417 Q HA -0.176 4.164 4.340 0.000 0.000 0.202 417 Q C 2.389 178.402 176.000 0.022 0.000 0.980 417 Q CA 1.322 57.156 55.803 0.052 0.000 0.840 417 Q CB -0.128 28.630 28.738 0.033 0.000 0.898 417 Q HN 0.559 nan 8.270 nan 0.000 0.424 418 L N 0.490 121.709 121.223 -0.006 0.000 2.265 418 L HA -0.178 4.162 4.340 0.000 0.000 0.215 418 L C 2.378 179.214 176.870 -0.056 0.000 1.117 418 L CA 0.702 55.524 54.840 -0.029 0.000 0.782 418 L CB -0.281 41.748 42.059 -0.051 0.000 0.914 418 L HN 0.283 nan 8.230 nan 0.000 0.441 419 Q N -0.201 119.532 119.800 -0.111 0.000 2.302 419 Q HA -0.073 4.267 4.340 0.000 0.000 0.202 419 Q C 1.951 177.806 176.000 -0.242 0.000 0.936 419 Q CA 0.801 56.416 55.803 -0.314 0.000 0.886 419 Q CB 0.321 28.661 28.738 -0.663 0.000 0.986 419 Q HN 0.518 nan 8.270 nan 0.000 0.487 420 E N 0.298 120.486 120.200 -0.020 0.000 2.152 420 E HA -0.165 4.185 4.350 0.000 0.000 0.192 420 E C 1.765 178.395 176.600 0.050 0.000 0.983 420 E CA 0.793 57.253 56.400 0.099 0.000 0.818 420 E CB 0.215 29.994 29.700 0.132 0.000 0.758 420 E HN 0.033 nan 8.360 nan 0.000 0.467 421 K N 0.735 121.153 120.400 0.029 0.000 2.031 421 K HA -0.169 4.151 4.320 0.000 0.000 0.205 421 K C 1.993 178.614 176.600 0.035 0.000 1.049 421 K CA 1.473 57.776 56.287 0.027 0.000 0.939 421 K CB -0.488 32.025 32.500 0.022 0.000 0.717 421 K HN 0.044 nan 8.250 nan 0.000 0.438 422 H N -0.244 118.788 119.070 -0.065 0.000 2.387 422 H HA -0.048 4.508 4.556 0.000 0.000 0.299 422 H C 1.626 176.929 175.328 -0.042 0.000 1.099 422 H CA 1.897 57.907 56.048 -0.062 0.000 1.315 422 H CB -0.124 29.577 29.762 -0.102 0.000 1.380 422 H HN 0.042 nan 8.280 nan 0.000 0.513 423 V N 0.612 120.519 119.914 -0.012 0.000 2.295 423 V HA -0.253 3.867 4.120 0.000 0.000 0.246 423 V C 2.359 178.427 176.094 -0.044 0.000 1.049 423 V CA 2.172 64.457 62.300 -0.026 0.000 1.024 423 V CB -0.384 31.473 31.823 0.056 0.000 0.648 423 V HN 0.427 nan 8.190 nan 0.000 0.447 424 K N -0.232 120.155 120.400 -0.021 0.000 2.020 424 K HA -0.231 4.089 4.320 0.000 0.000 0.212 424 K C 1.941 178.520 176.600 -0.035 0.000 1.050 424 K CA 1.959 58.233 56.287 -0.021 0.000 0.929 424 K CB -0.436 32.058 32.500 -0.010 0.000 0.714 424 K HN 0.473 nan 8.250 nan 0.000 0.443 425 D N 0.897 121.260 120.400 -0.061 0.000 2.106 425 D HA -0.185 4.455 4.640 0.000 0.000 0.191 425 D C 1.817 178.075 176.300 -0.070 0.000 0.997 425 D CA 1.404 55.364 54.000 -0.067 0.000 0.834 425 D CB -0.275 40.465 40.800 -0.100 0.000 0.956 425 D HN 0.349 nan 8.370 nan 0.000 0.448 426 E N 0.318 120.432 120.200 -0.144 0.000 2.110 426 E HA -0.217 4.133 4.350 0.000 0.000 0.193 426 E C 2.055 178.663 176.600 0.014 0.000 0.988 426 E CA 0.674 57.017 56.400 -0.096 0.000 0.804 426 E CB -0.170 29.433 29.700 -0.162 0.000 0.745 426 E HN 0.353 nan 8.360 nan 0.000 0.458 427 Q N 0.566 120.373 119.800 0.012 0.000 2.369 427 Q HA -0.085 4.256 4.340 0.000 0.000 0.206 427 Q C 1.799 177.890 176.000 0.152 0.000 0.963 427 Q CA 0.680 56.526 55.803 0.072 0.000 0.894 427 Q CB 0.202 28.949 28.738 0.015 0.000 0.965 427 Q HN 0.323 nan 8.270 nan 0.000 0.475 428 I N -0.451 120.186 120.570 0.112 0.000 2.556 428 I HA -0.085 4.085 4.170 0.000 0.000 0.251 428 I C 1.698 177.920 176.117 0.175 0.000 1.105 428 I CA 0.373 61.763 61.300 0.150 0.000 1.436 428 I CB 0.079 38.124 38.000 0.076 0.000 1.139 428 I HN 0.091 nan 8.210 nan 0.000 0.438 429 E N 0.306 120.573 120.200 0.111 0.000 2.118 429 E HA -0.290 4.060 4.350 0.000 0.000 0.195 429 E C 1.941 178.610 176.600 0.115 0.000 0.992 429 E CA 1.432 57.883 56.400 0.086 0.000 0.804 429 E CB -0.320 29.410 29.700 0.050 0.000 0.741 429 E HN 0.437 nan 8.360 nan 0.000 0.458 430 H N -0.693 118.420 119.070 0.072 0.000 2.270 430 H HA -0.150 4.406 4.556 0.000 0.000 0.299 430 H C 1.819 177.218 175.328 0.119 0.000 1.077 430 H CA 2.085 58.181 56.048 0.081 0.000 1.294 430 H CB -0.445 29.375 29.762 0.096 0.000 1.371 430 H HN 0.339 nan 8.280 nan 0.000 0.491 431 W N 2.044 123.355 121.300 0.019 0.000 2.325 431 W HA -0.238 4.422 4.660 0.000 0.000 0.299 431 W C 1.821 178.296 176.519 -0.074 0.000 1.215 431 W CA 1.782 59.104 57.345 -0.038 0.000 1.244 431 W CB -0.098 29.373 29.460 0.019 0.000 1.140 431 W HN 0.276 nan 8.180 nan 0.000 0.523 432 K N 0.223 120.634 120.400 0.018 0.000 1.991 432 K HA -0.212 4.108 4.320 0.000 0.000 0.212 432 K C 2.144 178.635 176.600 -0.182 0.000 1.049 432 K CA 1.872 58.112 56.287 -0.079 0.000 0.932 432 K CB -0.375 32.127 32.500 0.003 0.000 0.717 432 K HN 0.037 nan 8.250 nan 0.000 0.441 433 K N 0.783 121.088 120.400 -0.159 0.000 2.020 433 K HA -0.173 4.147 4.320 0.000 0.000 0.212 433 K C 2.201 178.644 176.600 -0.262 0.000 1.050 433 K CA 1.564 57.744 56.287 -0.179 0.000 0.929 433 K CB -0.419 31.990 32.500 -0.152 0.000 0.714 433 K HN 0.171 nan 8.250 nan 0.000 0.443 434 I N 1.032 121.371 120.570 -0.384 0.000 2.151 434 I HA -0.323 3.847 4.170 0.000 0.000 0.243 434 I C 2.438 178.299 176.117 -0.427 0.000 1.080 434 I CA 1.264 62.309 61.300 -0.426 0.000 1.339 434 I CB -0.437 37.236 38.000 -0.546 0.000 1.039 434 I HN -0.035 nan 8.210 nan 0.000 0.409 435 V N 0.714 120.310 119.914 -0.530 0.000 2.237 435 V HA -0.329 3.791 4.120 0.000 0.000 0.245 435 V C 2.528 178.470 176.094 -0.254 0.000 1.046 435 V CA 2.083 64.116 62.300 -0.444 0.000 1.007 435 V CB -0.644 30.905 31.823 -0.456 0.000 0.638 435 V HN 0.378 nan 8.190 nan 0.000 0.445 436 K N -0.399 119.880 120.400 -0.201 0.000 2.020 436 K HA -0.238 4.082 4.320 0.000 0.000 0.212 436 K C 2.197 178.723 176.600 -0.124 0.000 1.050 436 K CA 2.262 58.469 56.287 -0.133 0.000 0.929 436 K CB -0.456 31.980 32.500 -0.107 0.000 0.714 436 K HN 0.507 nan 8.250 nan 0.000 0.443 437 T N 1.144 115.614 114.554 -0.139 0.000 2.759 437 T HA -0.187 4.163 4.350 0.000 0.000 0.269 437 T C 1.735 176.368 174.700 -0.113 0.000 1.042 437 T CA 1.619 63.648 62.100 -0.118 0.000 1.140 437 T CB -0.168 68.626 68.868 -0.124 0.000 0.864 437 T HN 0.396 nan 8.240 nan 0.000 0.455 438 Q N 0.493 120.209 119.800 -0.140 0.000 2.119 438 Q HA -0.095 4.245 4.340 0.000 0.000 0.201 438 Q C 2.331 178.275 176.000 -0.093 0.000 0.972 438 Q CA 1.201 56.931 55.803 -0.121 0.000 0.847 438 Q CB -0.120 28.527 28.738 -0.152 0.000 0.903 438 Q HN 0.617 nan 8.270 nan 0.000 0.433 439 E N 0.688 120.830 120.200 -0.096 0.000 2.152 439 E HA -0.149 4.202 4.350 0.000 0.000 0.192 439 E C 1.695 178.259 176.600 -0.061 0.000 0.983 439 E CA 0.651 57.008 56.400 -0.072 0.000 0.818 439 E CB 0.140 29.798 29.700 -0.070 0.000 0.758 439 E HN 0.359 nan 8.360 nan 0.000 0.467 440 E N 0.437 120.597 120.200 -0.066 0.000 2.152 440 E HA -0.088 4.262 4.350 0.000 0.000 0.192 440 E C 2.070 178.637 176.600 -0.056 0.000 0.983 440 E CA 0.371 56.736 56.400 -0.058 0.000 0.818 440 E CB 0.118 29.782 29.700 -0.060 0.000 0.758 440 E HN 0.256 nan 8.360 nan 0.000 0.467 441 L N 0.880 122.067 121.223 -0.059 0.000 2.141 441 L HA -0.170 4.170 4.340 0.000 0.000 0.209 441 L C 2.225 179.068 176.870 -0.046 0.000 1.094 441 L CA 1.097 55.905 54.840 -0.054 0.000 0.763 441 L CB -0.113 41.913 42.059 -0.055 0.000 0.908 441 L HN 0.066 nan 8.230 nan 0.000 0.437 442 K N -0.076 120.298 120.400 -0.044 0.000 2.001 442 K HA -0.175 4.145 4.320 0.000 0.000 0.208 442 K C 1.781 178.362 176.600 -0.031 0.000 1.048 442 K CA 1.151 57.418 56.287 -0.035 0.000 0.932 442 K CB -0.132 32.348 32.500 -0.034 0.000 0.715 442 K HN 0.246 nan 8.250 nan 0.000 0.437 443 E N 0.520 120.699 120.200 -0.035 0.000 2.463 443 E HA -0.145 4.205 4.350 0.000 0.000 0.201 443 E C 1.474 178.053 176.600 -0.035 0.000 1.045 443 E CA 0.314 56.695 56.400 -0.031 0.000 0.872 443 E CB 0.174 29.854 29.700 -0.033 0.000 0.797 443 E HN 0.088 nan 8.360 nan 0.000 0.538 444 L N -0.353 120.844 121.223 -0.042 0.000 2.362 444 L HA 0.044 4.384 4.340 0.000 0.000 0.204 444 L C 1.811 178.651 176.870 -0.050 0.000 1.060 444 L CA 0.916 55.724 54.840 -0.054 0.000 0.827 444 L CB -0.048 41.971 42.059 -0.066 0.000 1.027 444 L HN 0.076 nan 8.230 nan 0.000 0.474 445 L N 0.013 121.213 121.223 -0.038 0.000 2.127 445 L HA -0.235 4.105 4.340 0.000 0.000 0.211 445 L C 2.214 179.081 176.870 -0.005 0.000 1.089 445 L CA 1.681 56.509 54.840 -0.021 0.000 0.757 445 L CB -0.773 41.278 42.059 -0.014 0.000 0.899 445 L HN 0.456 nan 8.230 nan 0.000 0.434 446 N N 0.526 119.220 118.700 -0.009 0.000 2.080 446 N HA -0.208 4.532 4.740 0.000 0.000 0.189 446 N C 1.860 177.372 175.510 0.004 0.000 1.036 446 N CA 1.412 54.462 53.050 -0.001 0.000 0.846 446 N CB -0.013 38.470 38.487 -0.007 0.000 1.015 446 N HN 0.070 nan 8.380 nan 0.000 0.423 447 K N -0.433 119.963 120.400 -0.008 0.000 2.152 447 K HA -0.122 4.198 4.320 0.000 0.000 0.206 447 K C 1.999 178.607 176.600 0.014 0.000 1.048 447 K CA 1.357 57.640 56.287 -0.006 0.000 0.933 447 K CB -0.097 32.387 32.500 -0.026 0.000 0.721 447 K HN 0.383 nan 8.250 nan 0.000 0.447 448 M N -0.204 119.400 119.600 0.006 0.000 2.081 448 M HA -0.157 4.323 4.480 0.000 0.000 0.261 448 M C 2.224 178.624 176.300 0.166 0.000 1.075 448 M CA 1.203 56.545 55.300 0.070 0.000 1.133 448 M CB -0.412 32.183 32.600 -0.009 0.000 1.330 448 M HN -0.102 nan 8.290 nan 0.000 0.414 449 V N 1.454 121.428 119.914 0.100 0.000 2.370 449 V HA -0.302 3.818 4.120 0.000 0.000 0.252 449 V C 2.178 178.309 176.094 0.061 0.000 1.068 449 V CA 1.934 64.281 62.300 0.079 0.000 1.061 449 V CB -0.860 30.990 31.823 0.045 0.000 0.656 449 V HN 0.561 nan 8.190 nan 0.000 0.455 450 N N -0.618 118.112 118.700 0.050 0.000 2.446 450 N HA -0.051 4.689 4.740 0.000 0.000 0.179 450 N C 1.600 177.135 175.510 0.041 0.000 1.054 450 N CA 0.602 53.672 53.050 0.035 0.000 0.905 450 N CB 0.272 38.772 38.487 0.021 0.000 0.973 450 N HN 0.450 nan 8.380 nan 0.000 0.448 451 L N 1.441 122.710 121.223 0.076 0.000 2.127 451 L HA 0.091 4.431 4.340 0.000 0.000 0.203 451 L C 1.964 178.869 176.870 0.059 0.000 1.080 451 L CA 1.509 56.402 54.840 0.089 0.000 0.768 451 L CB -0.379 41.783 42.059 0.173 0.000 0.924 451 L HN -0.115 nan 8.230 nan 0.000 0.444 452 K N -0.277 120.159 120.400 0.061 0.000 2.147 452 K HA -0.178 4.142 4.320 0.000 0.000 0.205 452 K C 1.905 178.489 176.600 -0.027 0.000 1.049 452 K CA 1.577 57.840 56.287 -0.040 0.000 0.936 452 K CB -0.105 32.366 32.500 -0.048 0.000 0.722 452 K HN 0.464 nan 8.250 nan 0.000 0.446 453 E N 0.790 120.990 120.200 0.000 0.000 2.118 453 E HA -0.199 4.151 4.350 0.000 0.000 0.195 453 E C 1.769 178.361 176.600 -0.014 0.000 0.992 453 E CA 1.303 57.702 56.400 -0.003 0.000 0.804 453 E CB 0.104 29.807 29.700 0.006 0.000 0.741 453 E HN 0.270 nan 8.360 nan 0.000 0.458 454 K N 0.166 120.556 120.400 -0.017 0.000 2.076 454 K HA -0.053 4.267 4.320 0.000 0.000 0.204 454 K C 2.141 178.703 176.600 -0.063 0.000 1.051 454 K CA 0.609 56.877 56.287 -0.031 0.000 0.949 454 K CB 0.077 32.563 32.500 -0.023 0.000 0.726 454 K HN 0.052 nan 8.250 nan 0.000 0.443 455 I N 2.200 122.722 120.570 -0.081 0.000 2.076 455 I HA -0.294 3.876 4.170 0.000 0.000 0.237 455 I C 2.466 178.494 176.117 -0.147 0.000 1.059 455 I CA 1.555 62.765 61.300 -0.151 0.000 1.317 455 I CB -1.050 36.849 38.000 -0.169 0.000 1.037 455 I HN 0.223 nan 8.210 nan 0.000 0.398 456 K N 1.067 121.429 120.400 -0.063 0.000 2.127 456 K HA -0.273 4.047 4.320 0.000 0.000 0.208 456 K C 2.015 178.623 176.600 0.013 0.000 1.047 456 K CA 2.099 58.391 56.287 0.008 0.000 0.927 456 K CB -0.183 32.323 32.500 0.010 0.000 0.716 456 K HN 0.336 nan 8.250 nan 0.000 0.450 457 E N 0.217 120.407 120.200 -0.018 0.000 2.268 457 E HA -0.113 4.237 4.350 0.000 0.000 0.195 457 E C 1.826 178.418 176.600 -0.013 0.000 0.995 457 E CA 0.444 56.840 56.400 -0.008 0.000 0.836 457 E CB 0.117 29.809 29.700 -0.014 0.000 0.763 457 E HN 0.393 nan 8.360 nan 0.000 0.491 458 L N -0.237 120.946 121.223 -0.067 0.000 2.375 458 L HA -0.038 4.302 4.340 0.000 0.000 0.215 458 L C 1.835 178.700 176.870 -0.008 0.000 1.108 458 L CA 0.399 55.187 54.840 -0.086 0.000 0.830 458 L CB -0.156 41.786 42.059 -0.194 0.000 0.959 458 L HN 0.212 nan 8.230 nan 0.000 0.457 459 H N 0.012 119.100 119.070 0.030 0.000 2.551 459 H HA 0.008 4.564 4.556 0.000 0.000 0.266 459 H C 1.778 177.141 175.328 0.058 0.000 0.977 459 H CA 0.563 56.652 56.048 0.068 0.000 1.163 459 H CB 0.324 30.107 29.762 0.035 0.000 1.381 459 H HN 0.484 nan 8.280 nan 0.000 0.581 460 Q N -0.355 119.532 119.800 0.144 0.000 2.259 460 Q HA -0.033 4.307 4.340 0.000 0.000 0.201 460 Q C 2.127 178.173 176.000 0.078 0.000 0.938 460 Q CA 0.398 56.252 55.803 0.084 0.000 0.872 460 Q CB 0.410 29.178 28.738 0.051 0.000 0.971 460 Q HN 0.412 nan 8.270 nan 0.000 0.494 461 Q N 0.023 119.876 119.800 0.088 0.000 2.062 461 Q HA -0.176 4.164 4.340 0.000 0.000 0.196 461 Q C 1.762 177.848 176.000 0.143 0.000 0.967 461 Q CA 0.867 56.721 55.803 0.084 0.000 0.832 461 Q CB -0.085 28.689 28.738 0.058 0.000 0.899 461 Q HN 0.316 nan 8.270 nan 0.000 0.442 462 Y N 1.793 122.099 120.300 0.010 0.000 2.241 462 Y HA -0.213 4.337 4.550 0.000 0.000 0.286 462 Y C 1.753 177.645 175.900 -0.014 0.000 1.166 462 Y CA 1.507 59.607 58.100 -0.001 0.000 1.203 462 Y CB 0.044 38.523 38.460 0.031 0.000 0.977 462 Y HN 0.103 nan 8.280 nan 0.000 0.529 463 K N -0.427 119.997 120.400 0.040 0.000 2.167 463 K HA -0.119 4.201 4.320 0.000 0.000 0.203 463 K C 1.964 178.531 176.600 -0.056 0.000 1.052 463 K CA 1.211 57.460 56.287 -0.064 0.000 0.956 463 K CB -0.056 32.429 32.500 -0.025 0.000 0.735 463 K HN 0.388 nan 8.250 nan 0.000 0.451 464 E N 1.119 121.312 120.200 -0.012 0.000 2.077 464 E HA -0.096 4.254 4.350 0.000 0.000 0.193 464 E C 0.859 177.444 176.600 -0.025 0.000 0.989 464 E CA 0.538 56.931 56.400 -0.012 0.000 0.800 464 E CB -0.034 29.671 29.700 0.008 0.000 0.746 464 E HN 0.266 nan 8.360 nan 0.000 0.452 475 T N 1.546 116.157 114.554 0.095 0.000 3.219 475 T HA 0.336 4.686 4.350 0.000 0.000 0.249 475 T C 1.178 175.952 174.700 0.124 0.000 1.099 475 T CA 0.969 63.154 62.100 0.142 0.000 0.988 475 T CB 0.288 69.220 68.868 0.106 0.000 0.999 475 T HN 0.411 nan 8.240 nan 0.000 0.550 476 A N 0.542 123.422 122.820 0.101 0.000 2.259 476 A HA 0.370 4.691 4.320 0.000 0.000 0.213 476 A C 1.894 179.531 177.584 0.088 0.000 1.209 476 A CA 0.043 52.126 52.037 0.076 0.000 0.910 476 A CB 0.157 19.186 19.000 0.048 0.000 0.946 476 A HN 0.301 nan 8.150 nan 0.000 0.497 477 E N -1.423 118.847 120.200 0.116 0.000 2.340 477 E HA 0.139 4.489 4.350 0.000 0.000 0.194 477 E C 0.998 177.719 176.600 0.201 0.000 0.996 477 E CA 0.563 57.040 56.400 0.128 0.000 0.869 477 E CB -0.146 29.620 29.700 0.111 0.000 0.835 477 E HN 0.422 nan 8.360 nan 0.000 0.493 478 F N -0.327 119.646 119.950 0.038 0.000 2.721 478 F HA 0.245 4.772 4.527 0.000 0.000 0.301 478 F C 1.334 177.160 175.800 0.044 0.000 1.096 478 F CA -0.009 58.014 58.000 0.037 0.000 1.308 478 F CB 0.317 39.332 39.000 0.026 0.000 1.086 478 F HN 0.121 nan 8.300 nan 0.000 0.587 479 L N -0.823 120.430 121.223 0.050 0.000 2.145 479 L HA 0.096 4.436 4.340 0.000 0.000 0.201 479 L C 2.252 179.124 176.870 0.004 0.000 1.075 479 L CA 1.458 56.293 54.840 -0.009 0.000 0.773 479 L CB -0.983 41.105 42.059 0.048 0.000 0.936 479 L HN -0.041 nan 8.230 nan 0.000 0.451 480 V N -0.151 119.806 119.914 0.073 0.000 2.490 480 V HA -0.300 3.820 4.120 0.000 0.000 0.250 480 V C 2.652 178.846 176.094 0.167 0.000 1.061 480 V CA 2.294 64.694 62.300 0.167 0.000 1.064 480 V CB -0.378 31.530 31.823 0.142 0.000 0.670 480 V HN 0.625 nan 8.190 nan 0.000 0.461 481 K N -0.843 119.592 120.400 0.057 0.000 2.155 481 K HA -0.082 4.238 4.320 0.000 0.000 0.203 481 K C 2.250 178.790 176.600 -0.100 0.000 1.052 481 K CA 1.486 57.782 56.287 0.014 0.000 0.948 481 K CB -0.066 32.431 32.500 -0.006 0.000 0.728 481 K HN 0.541 nan 8.250 nan 0.000 0.448 482 S N 0.673 116.247 115.700 -0.210 0.000 2.348 482 S HA -0.022 4.448 4.470 0.000 0.000 0.219 482 S C 1.573 176.090 174.600 -0.138 0.000 1.033 482 S CA 0.754 58.810 58.200 -0.240 0.000 0.974 482 S CB -0.006 62.995 63.200 -0.330 0.000 0.868 482 S HN 0.209 nan 8.310 nan 0.000 0.459 483 K N 1.196 121.542 120.400 -0.090 0.000 2.063 483 K HA -0.095 4.225 4.320 0.000 0.000 0.208 483 K C 1.806 178.299 176.600 -0.179 0.000 1.048 483 K CA 1.379 57.607 56.287 -0.099 0.000 0.928 483 K CB -0.786 31.698 32.500 -0.026 0.000 0.713 483 K HN 0.597 nan 8.250 nan 0.000 0.442 484 H N 0.071 118.933 119.070 -0.348 0.000 2.529 484 H HA 0.070 4.626 4.556 0.000 0.000 0.277 484 H C 2.152 177.333 175.328 -0.245 0.000 0.999 484 H CA 0.331 56.095 56.048 -0.473 0.000 1.256 484 H CB 0.430 29.974 29.762 -0.364 0.000 1.402 484 H HN 0.075 nan 8.280 nan 0.000 0.566 485 R N 0.271 120.693 120.500 -0.131 0.000 2.153 485 R HA -0.071 4.269 4.340 0.000 0.000 0.218 485 R C 0.896 177.110 176.300 -0.143 0.000 1.072 485 R CA 1.318 57.326 56.100 -0.153 0.000 0.990 485 R CB 0.319 30.536 30.300 -0.138 0.000 0.889 485 R HN 0.397 nan 8.270 nan 0.000 0.452 486 D N 0.518 120.835 120.400 -0.138 0.000 2.269 486 D HA -0.115 4.525 4.640 0.000 0.000 0.220 486 D C 1.848 178.070 176.300 -0.131 0.000 0.962 486 D CA 0.429 54.358 54.000 -0.118 0.000 0.884 486 D CB -0.228 40.509 40.800 -0.105 0.000 1.023 486 D HN 0.183 nan 8.370 nan 0.000 0.484 487 L N 1.210 122.333 121.223 -0.166 0.000 2.351 487 L HA -0.129 4.211 4.340 0.000 0.000 0.220 487 L C 1.580 178.359 176.870 -0.152 0.000 1.127 487 L CA 1.063 55.788 54.840 -0.191 0.000 0.786 487 L CB -0.095 41.800 42.059 -0.273 0.000 0.914 487 L HN -0.000 nan 8.230 nan 0.000 0.443 488 T N -1.322 113.137 114.554 -0.158 0.000 3.107 488 T HA 0.165 4.515 4.350 0.000 0.000 0.249 488 T C 1.526 176.168 174.700 -0.096 0.000 1.096 488 T CA 0.619 62.633 62.100 -0.143 0.000 1.012 488 T CB 0.415 69.147 68.868 -0.226 0.000 0.977 488 T HN 0.446 nan 8.240 nan 0.000 0.527 489 A N 1.028 123.795 122.820 -0.090 0.000 1.901 489 A HA 0.315 4.635 4.320 0.000 0.000 0.210 489 A C 2.065 179.625 177.584 -0.040 0.000 1.208 489 A CA 0.377 52.377 52.037 -0.061 0.000 0.644 489 A CB -0.453 18.509 19.000 -0.063 0.000 0.863 489 A HN 0.401 nan 8.150 nan 0.000 0.454 490 L N -0.489 120.706 121.223 -0.048 0.000 2.046 490 L HA -0.234 4.106 4.340 0.000 0.000 0.208 490 L C 2.647 179.526 176.870 0.015 0.000 1.077 490 L CA 1.231 56.057 54.840 -0.022 0.000 0.747 490 L CB -0.711 41.318 42.059 -0.049 0.000 0.896 490 L HN 0.464 nan 8.230 nan 0.000 0.432 491 C N -0.115 119.178 119.300 -0.012 0.000 2.425 491 C HA -0.133 4.327 4.460 0.000 0.000 0.277 491 C C 2.695 177.724 174.990 0.066 0.000 1.280 491 C CA 0.593 59.627 59.018 0.027 0.000 1.744 491 C CB -0.696 27.036 27.740 -0.013 0.000 1.989 491 C HN 0.383 nan 8.230 nan 0.000 0.491 492 K N 0.376 120.788 120.400 0.020 0.000 2.439 492 K HA -0.125 4.195 4.320 0.000 0.000 0.197 492 K C 1.927 178.541 176.600 0.023 0.000 1.041 492 K CA 0.801 57.097 56.287 0.016 0.000 0.970 492 K CB -0.101 32.392 32.500 -0.012 0.000 0.773 492 K HN 0.640 nan 8.250 nan 0.000 0.479 493 E N -0.300 119.922 120.200 0.036 0.000 2.166 493 E HA -0.115 4.235 4.350 0.000 0.000 0.192 493 E C 1.539 178.160 176.600 0.034 0.000 0.967 493 E CA 0.145 56.559 56.400 0.023 0.000 0.840 493 E CB -0.006 29.705 29.700 0.018 0.000 0.795 493 E HN 0.241 nan 8.360 nan 0.000 0.470 494 Y N 1.567 121.852 120.300 -0.024 0.000 2.483 494 Y HA -0.159 4.391 4.550 0.000 0.000 0.291 494 Y C 1.444 177.335 175.900 -0.014 0.000 1.143 494 Y CA 1.645 59.734 58.100 -0.018 0.000 1.289 494 Y CB 0.251 38.702 38.460 -0.016 0.000 0.983 494 Y HN 0.103 nan 8.280 nan 0.000 0.556 495 D N -0.471 119.965 120.400 0.060 0.000 2.249 495 D HA -0.116 4.524 4.640 0.000 0.000 0.205 495 D C 1.787 178.055 176.300 -0.053 0.000 0.962 495 D CA 0.686 54.696 54.000 0.015 0.000 0.860 495 D CB 0.157 40.985 40.800 0.046 0.000 0.955 495 D HN 0.474 nan 8.370 nan 0.000 0.505 496 E N 1.117 121.283 120.200 -0.056 0.000 2.051 496 E HA -0.115 4.235 4.350 0.000 0.000 0.192 496 E C 2.551 179.091 176.600 -0.100 0.000 0.991 496 E CA 0.484 56.847 56.400 -0.062 0.000 0.799 496 E CB -0.344 29.326 29.700 -0.050 0.000 0.748 496 E HN 0.363 nan 8.360 nan 0.000 0.449 497 L N 0.585 121.713 121.223 -0.158 0.000 2.017 497 L HA -0.109 4.231 4.340 0.000 0.000 0.208 497 L C 2.599 179.344 176.870 -0.209 0.000 1.073 497 L CA 1.187 55.908 54.840 -0.199 0.000 0.745 497 L CB -0.754 41.133 42.059 -0.287 0.000 0.894 497 L HN 0.041 nan 8.230 nan 0.000 0.432 498 A N -0.305 122.358 122.820 -0.263 0.000 2.125 498 A HA -0.229 4.091 4.320 0.000 0.000 0.219 498 A C 2.279 179.805 177.584 -0.096 0.000 1.156 498 A CA 1.682 53.609 52.037 -0.182 0.000 0.671 498 A CB -0.479 18.436 19.000 -0.143 0.000 0.794 498 A HN 0.537 nan 8.150 nan 0.000 0.459 499 E N -0.900 119.248 120.200 -0.086 0.000 2.170 499 E HA -0.083 4.267 4.350 0.000 0.000 0.191 499 E C 1.574 178.140 176.600 -0.056 0.000 0.981 499 E CA 1.261 57.628 56.400 -0.056 0.000 0.830 499 E CB 0.095 29.767 29.700 -0.046 0.000 0.775 499 E HN 0.548 nan 8.360 nan 0.000 0.470 500 T N 0.467 114.979 114.554 -0.071 0.000 2.937 500 T HA -0.101 4.249 4.350 0.000 0.000 0.260 500 T C 1.722 176.384 174.700 -0.064 0.000 1.051 500 T CA 0.677 62.739 62.100 -0.063 0.000 1.141 500 T CB -0.071 68.756 68.868 -0.069 0.000 0.879 500 T HN 0.180 nan 8.240 nan 0.000 0.459 501 Q N 0.690 120.444 119.800 -0.078 0.000 2.181 501 Q HA -0.110 4.230 4.340 0.000 0.000 0.205 501 Q C 2.300 178.270 176.000 -0.050 0.000 0.980 501 Q CA 1.657 57.419 55.803 -0.069 0.000 0.862 501 Q CB -0.319 28.369 28.738 -0.083 0.000 0.905 501 Q HN 0.588 nan 8.270 nan 0.000 0.429 502 G N 0.074 108.847 108.800 -0.045 0.000 2.441 502 G HA2 -0.109 3.851 3.960 0.000 0.000 0.212 502 G HA3 -0.109 3.851 3.960 0.000 0.000 0.212 502 G C 1.393 176.275 174.900 -0.031 0.000 1.164 502 G CA -0.037 45.044 45.100 -0.033 0.000 0.811 502 G HN 0.071 nan 8.290 nan 0.000 0.535 503 K N 0.324 120.704 120.400 -0.033 0.000 2.211 503 K HA 0.164 4.484 4.320 0.000 0.000 0.203 503 K C 2.339 178.919 176.600 -0.034 0.000 1.050 503 K CA 0.354 56.622 56.287 -0.030 0.000 0.945 503 K CB -0.268 32.214 32.500 -0.030 0.000 0.732 503 K HN 0.324 nan 8.250 nan 0.000 0.451 504 L N 0.426 121.625 121.223 -0.040 0.000 2.022 504 L HA -0.110 4.230 4.340 0.000 0.000 0.204 504 L C 2.226 179.069 176.870 -0.044 0.000 1.076 504 L CA 1.018 55.831 54.840 -0.045 0.000 0.749 504 L CB -0.483 41.545 42.059 -0.052 0.000 0.903 504 L HN 0.158 nan 8.230 nan 0.000 0.439 505 E N 0.154 120.329 120.200 -0.041 0.000 2.114 505 E HA -0.343 4.007 4.350 0.000 0.000 0.199 505 E C 1.975 178.557 176.600 -0.030 0.000 1.008 505 E CA 1.785 58.163 56.400 -0.037 0.000 0.810 505 E CB -0.188 29.493 29.700 -0.031 0.000 0.739 505 E HN 0.419 nan 8.360 nan 0.000 0.456 506 E N 1.147 121.332 120.200 -0.025 0.000 2.086 506 E HA -0.300 4.050 4.350 0.000 0.000 0.200 506 E C 2.112 178.700 176.600 -0.019 0.000 1.012 506 E CA 1.525 57.914 56.400 -0.018 0.000 0.812 506 E CB -0.016 29.674 29.700 -0.017 0.000 0.743 506 E HN 0.083 nan 8.360 nan 0.000 0.453 507 K N 0.124 120.508 120.400 -0.026 0.000 2.097 507 K HA -0.156 4.164 4.320 0.000 0.000 0.205 507 K C 2.359 178.936 176.600 -0.038 0.000 1.050 507 K CA 0.797 57.066 56.287 -0.029 0.000 0.938 507 K CB -0.125 32.353 32.500 -0.036 0.000 0.718 507 K HN 0.120 nan 8.250 nan 0.000 0.442 508 L N 2.009 123.204 121.223 -0.047 0.000 1.989 508 L HA -0.256 4.084 4.340 0.000 0.000 0.211 508 L C 2.243 179.091 176.870 -0.038 0.000 1.071 508 L CA 1.796 56.600 54.840 -0.061 0.000 0.749 508 L CB -0.549 41.474 42.059 -0.060 0.000 0.890 508 L HN 0.268 nan 8.230 nan 0.000 0.431 509 Q N -0.529 119.259 119.800 -0.020 0.000 1.967 509 Q HA -0.314 4.026 4.340 0.000 0.000 0.210 509 Q C 2.075 178.083 176.000 0.013 0.000 1.005 509 Q CA 2.417 58.219 55.803 -0.002 0.000 0.862 509 Q CB -0.428 28.309 28.738 -0.001 0.000 0.939 509 Q HN 0.572 nan 8.270 nan 0.000 0.417 510 E N 0.224 120.432 120.200 0.013 0.000 2.149 510 E HA -0.279 4.071 4.350 0.000 0.000 0.215 510 E C 1.996 178.635 176.600 0.065 0.000 1.055 510 E CA 1.746 58.164 56.400 0.030 0.000 0.870 510 E CB -0.392 29.321 29.700 0.021 0.000 0.764 510 E HN 0.353 nan 8.360 nan 0.000 0.463 511 L N 0.221 121.480 121.223 0.060 0.000 2.131 511 L HA -0.194 4.147 4.340 0.000 0.000 0.210 511 L C 2.152 179.156 176.870 0.222 0.000 1.092 511 L CA 1.261 56.184 54.840 0.137 0.000 0.759 511 L CB -0.423 41.583 42.059 -0.088 0.000 0.903 511 L HN 0.102 nan 8.230 nan 0.000 0.435 512 E N 0.264 120.533 120.200 0.114 0.000 2.230 512 E HA -0.035 4.315 4.350 0.000 0.000 0.192 512 E C 2.222 178.884 176.600 0.103 0.000 0.987 512 E CA 0.966 57.443 56.400 0.129 0.000 0.841 512 E CB -0.094 29.648 29.700 0.071 0.000 0.783 512 E HN 0.417 nan 8.360 nan 0.000 0.481 513 A N 1.018 123.883 122.820 0.074 0.000 1.935 513 A HA -0.010 4.310 4.320 0.000 0.000 0.214 513 A C 1.667 179.277 177.584 0.043 0.000 1.178 513 A CA 0.896 52.963 52.037 0.049 0.000 0.640 513 A CB -0.018 19.003 19.000 0.035 0.000 0.825 513 A HN 0.114 nan 8.150 nan 0.000 0.447 514 N N 0.349 119.083 118.700 0.056 0.000 2.538 514 N HA 0.196 4.936 4.740 0.000 0.000 0.291 514 N C -2.811 172.699 175.510 0.001 0.000 1.323 514 N CA -1.978 51.091 53.050 0.032 0.000 0.934 514 N CB 0.238 38.748 38.487 0.038 0.000 1.255 514 N HN 0.265 nan 8.380 nan 0.000 0.509 515 P HA 0.344 nan 4.420 nan 0.000 0.278 515 P C -2.504 174.611 177.300 -0.308 0.000 1.238 515 P CA -0.830 62.075 63.100 -0.325 0.000 0.794 515 P CB 0.621 32.267 31.700 -0.091 0.000 0.955 516 P HA 0.073 nan 4.420 nan 0.000 0.274 516 P C -0.042 177.186 177.300 -0.121 0.000 1.260 516 P CA -0.168 62.805 63.100 -0.212 0.000 0.793 516 P CB 0.104 31.684 31.700 -0.200 0.000 1.048 517 S N -0.422 115.246 115.700 -0.053 0.000 2.565 517 S HA 0.119 4.589 4.470 0.000 0.000 0.276 517 S C 0.474 175.070 174.600 -0.006 0.000 1.326 517 S CA -0.360 57.831 58.200 -0.014 0.000 1.045 517 S CB 0.647 63.860 63.200 0.023 0.000 0.918 517 S HN 0.279 nan 8.310 nan 0.000 0.505 518 D N 0.467 120.867 120.400 -0.001 0.000 2.149 518 D HA 0.039 4.679 4.640 0.000 0.000 0.201 518 D C 0.831 177.141 176.300 0.016 0.000 0.972 518 D CA 1.289 55.288 54.000 -0.002 0.000 0.835 518 D CB -0.021 40.774 40.800 -0.009 0.000 0.966 518 D HN 0.613 nan 8.370 nan 0.000 0.476 519 V N -2.732 117.204 119.914 0.036 0.000 3.078 519 V HA 0.334 4.454 4.120 0.000 0.000 0.311 519 V C -0.109 176.062 176.094 0.129 0.000 1.138 519 V CA -1.014 61.327 62.300 0.068 0.000 1.007 519 V CB 1.706 33.551 31.823 0.037 0.000 1.045 519 V HN -0.045 nan 8.190 nan 0.000 0.432 520 Y N 3.518 123.829 120.300 0.018 0.000 2.466 520 Y HA 0.644 5.194 4.550 0.000 0.000 0.272 520 Y C -0.171 175.745 175.900 0.027 0.000 1.169 520 Y CA -0.871 57.246 58.100 0.028 0.000 1.285 520 Y CB 0.063 38.548 38.460 0.042 0.000 1.078 520 Y HN 0.642 nan 8.280 nan 0.000 0.523 521 L N -1.349 119.838 121.223 -0.060 0.000 2.562 521 L HA 0.535 4.875 4.340 0.000 0.000 0.266 521 L C -0.385 176.451 176.870 -0.057 0.000 0.949 521 L CA -1.341 53.416 54.840 -0.137 0.000 0.879 521 L CB 1.225 43.206 42.059 -0.129 0.000 1.278 521 L HN -0.288 nan 8.230 nan 0.000 0.404 522 S N 0.188 115.850 115.700 -0.064 0.000 2.632 522 S HA 0.289 4.759 4.470 0.000 0.000 0.271 522 S C 1.208 175.792 174.600 -0.027 0.000 1.260 522 S CA 0.093 58.271 58.200 -0.036 0.000 1.010 522 S CB 1.617 64.793 63.200 -0.039 0.000 0.965 522 S HN 0.888 nan 8.310 nan 0.000 0.534 523 S N 1.274 116.966 115.700 -0.014 0.000 2.465 523 S HA -0.139 4.331 4.470 0.000 0.000 0.241 523 S C 1.539 176.136 174.600 -0.004 0.000 1.000 523 S CA 1.224 59.422 58.200 -0.003 0.000 0.964 523 S CB -0.124 63.076 63.200 -0.001 0.000 0.763 523 S HN 0.650 nan 8.310 nan 0.000 0.512 524 R N 0.047 120.536 120.500 -0.017 0.000 2.072 524 R HA 0.159 4.499 4.340 0.000 0.000 0.214 524 R C 1.943 178.225 176.300 -0.030 0.000 1.168 524 R CA 1.026 57.113 56.100 -0.022 0.000 1.020 524 R CB -0.755 29.526 30.300 -0.032 0.000 0.914 524 R HN 0.326 nan 8.270 nan 0.000 0.449 525 D N 0.823 121.193 120.400 -0.050 0.000 2.170 525 D HA -0.222 4.418 4.640 0.000 0.000 0.193 525 D C 1.867 178.125 176.300 -0.071 0.000 1.004 525 D CA 1.480 55.434 54.000 -0.077 0.000 0.860 525 D CB -0.087 40.646 40.800 -0.111 0.000 0.931 525 D HN -0.006 nan 8.370 nan 0.000 0.448 526 R N 0.857 121.327 120.500 -0.050 0.000 2.070 526 R HA -0.082 4.258 4.340 0.000 0.000 0.232 526 R C 2.036 178.360 176.300 0.040 0.000 1.138 526 R CA 1.628 57.723 56.100 -0.008 0.000 0.936 526 R CB -0.809 29.500 30.300 0.015 0.000 0.839 526 R HN 0.165 nan 8.270 nan 0.000 0.429 527 Q N -0.603 119.223 119.800 0.042 0.000 2.376 527 Q HA -0.111 4.229 4.340 0.000 0.000 0.211 527 Q C 1.735 177.792 176.000 0.094 0.000 0.986 527 Q CA 1.630 57.475 55.803 0.071 0.000 0.886 527 Q CB -0.056 28.710 28.738 0.047 0.000 0.927 527 Q HN 0.480 nan 8.270 nan 0.000 0.457 528 I N -1.233 119.369 120.570 0.055 0.000 2.927 528 I HA -0.138 4.032 4.170 0.000 0.000 0.268 528 I C 1.656 177.832 176.117 0.099 0.000 1.153 528 I CA 0.061 61.407 61.300 0.076 0.000 1.459 528 I CB 0.083 38.079 38.000 -0.007 0.000 1.149 528 I HN 0.223 nan 8.210 nan 0.000 0.443 529 L N 1.034 122.239 121.223 -0.029 0.000 2.191 529 L HA -0.198 4.142 4.340 0.000 0.000 0.212 529 L C 1.782 178.445 176.870 -0.345 0.000 1.103 529 L CA 1.889 56.609 54.840 -0.200 0.000 0.769 529 L CB -0.778 41.169 42.059 -0.187 0.000 0.908 529 L HN 0.155 nan 8.230 nan 0.000 0.438 530 D N -1.239 119.169 120.400 0.012 0.000 2.097 530 D HA -0.259 4.381 4.640 0.000 0.000 0.195 530 D C 1.712 178.122 176.300 0.184 0.000 0.989 530 D CA 1.452 55.584 54.000 0.220 0.000 0.827 530 D CB -0.472 40.482 40.800 0.256 0.000 0.966 530 D HN 0.525 nan 8.370 nan 0.000 0.456 531 W N 1.843 123.171 121.300 0.047 0.000 2.290 531 W HA -0.266 4.394 4.660 0.000 0.000 0.323 531 W C 2.406 178.897 176.519 -0.048 0.000 1.260 531 W CA 2.046 59.431 57.345 0.067 0.000 1.266 531 W CB -0.531 28.982 29.460 0.088 0.000 1.149 531 W HN 0.228 nan 8.180 nan 0.000 0.482 532 H N -1.521 117.589 119.070 0.066 0.000 2.518 532 H HA -0.140 4.416 4.556 0.000 0.000 0.289 532 H C 1.806 176.922 175.328 -0.353 0.000 1.051 532 H CA 1.441 57.250 56.048 -0.398 0.000 1.280 532 H CB -0.357 28.852 29.762 -0.921 0.000 1.380 532 H HN 0.201 nan 8.280 nan 0.000 0.566 533 F N 0.586 120.597 119.950 0.102 0.000 2.188 533 F HA 0.088 4.615 4.527 0.000 0.000 0.289 533 F C 2.748 178.468 175.800 -0.133 0.000 1.082 533 F CA 0.487 58.557 58.000 0.117 0.000 1.282 533 F CB -1.074 37.993 39.000 0.112 0.000 1.060 533 F HN 0.042 nan 8.300 nan 0.000 0.493 534 A N 0.540 123.299 122.820 -0.101 0.000 1.884 534 A HA -0.335 3.985 4.320 0.000 0.000 0.219 534 A C 2.092 179.227 177.584 -0.749 0.000 1.197 534 A CA 2.441 54.147 52.037 -0.552 0.000 0.637 534 A CB -1.402 17.074 19.000 -0.874 0.000 0.827 534 A HN 0.434 nan 8.150 nan 0.000 0.450 535 N N -0.723 117.542 118.700 -0.725 0.000 2.137 535 N HA -0.164 4.576 4.740 0.000 0.000 0.190 535 N C 1.478 177.029 175.510 0.067 0.000 1.017 535 N CA 1.638 54.529 53.050 -0.264 0.000 0.859 535 N CB -0.307 37.946 38.487 -0.390 0.000 1.002 535 N HN 0.352 nan 8.380 nan 0.000 0.428 536 L N 0.884 122.139 121.223 0.053 0.000 2.156 536 L HA 0.031 4.371 4.340 0.000 0.000 0.208 536 L C 1.616 178.532 176.870 0.078 0.000 1.095 536 L CA 1.588 56.537 54.840 0.182 0.000 0.770 536 L CB -0.415 41.847 42.059 0.338 0.000 0.914 536 L HN 0.237 nan 8.230 nan 0.000 0.439 537 E N -1.446 118.741 120.200 -0.021 0.000 2.158 537 E HA -0.194 4.156 4.350 0.000 0.000 0.191 537 E C 1.941 178.500 176.600 -0.069 0.000 0.982 537 E CA 1.053 57.396 56.400 -0.095 0.000 0.823 537 E CB -0.235 29.373 29.700 -0.152 0.000 0.766 537 E HN 0.559 nan 8.360 nan 0.000 0.468 538 F N 1.598 121.448 119.950 -0.167 0.000 2.206 538 F HA -0.007 4.520 4.527 0.000 0.000 0.298 538 F C 2.099 177.952 175.800 0.089 0.000 1.090 538 F CA 1.237 59.206 58.000 -0.051 0.000 1.323 538 F CB -0.126 38.897 39.000 0.038 0.000 1.028 538 F HN -0.090 nan 8.300 nan 0.000 0.492 539 A N 0.239 122.953 122.820 -0.177 0.000 1.968 539 A HA -0.084 4.236 4.320 0.000 0.000 0.217 539 A C 1.911 179.498 177.584 0.006 0.000 1.169 539 A CA 1.423 53.360 52.037 -0.168 0.000 0.638 539 A CB -0.700 18.386 19.000 0.143 0.000 0.812 539 A HN 0.522 nan 8.150 nan 0.000 0.446 540 N N -1.066 117.648 118.700 0.024 0.000 2.299 540 N HA 0.200 4.940 4.740 0.000 0.000 0.187 540 N C 0.903 176.381 175.510 -0.052 0.000 1.099 540 N CA 0.881 53.979 53.050 0.080 0.000 0.867 540 N CB 0.471 38.982 38.487 0.039 0.000 0.974 540 N HN 0.541 nan 8.380 nan 0.000 0.477 541 A N 0.056 122.748 122.820 -0.213 0.000 3.153 541 A HA -0.179 4.141 4.320 0.000 0.000 0.265 541 A C 0.589 177.993 177.584 -0.301 0.000 1.212 541 A CA 1.844 53.637 52.037 -0.406 0.000 1.018 541 A CB -1.987 16.442 19.000 -0.951 0.000 1.130 541 A HN 0.365 nan 8.150 nan 0.000 0.873 542 T N -0.591 113.785 114.554 -0.297 0.000 2.885 542 T HA 0.581 4.931 4.350 0.000 0.000 0.322 542 T C -3.270 171.229 174.700 -0.336 0.000 1.387 542 T CA -0.744 61.139 62.100 -0.362 0.000 1.041 542 T CB 1.960 70.383 68.868 -0.742 0.000 1.287 542 T HN 0.173 nan 8.240 nan 0.000 0.491 543 P HA 0.173 nan 4.420 nan 0.000 0.268 543 P C 1.190 178.321 177.300 -0.282 0.000 1.208 543 P CA -0.204 62.758 63.100 -0.230 0.000 0.777 543 P CB 0.642 32.240 31.700 -0.171 0.000 0.875 544 L N 1.422 122.485 121.223 -0.266 0.000 2.131 544 L HA -0.188 4.152 4.340 0.000 0.000 0.210 544 L C 2.517 179.228 176.870 -0.264 0.000 1.092 544 L CA 1.899 56.556 54.840 -0.304 0.000 0.759 544 L CB -1.259 40.597 42.059 -0.338 0.000 0.903 544 L HN 0.397 nan 8.230 nan 0.000 0.435 545 S N -0.932 114.640 115.700 -0.212 0.000 2.465 545 S HA -0.179 4.291 4.470 0.000 0.000 0.241 545 S C 1.857 176.376 174.600 -0.136 0.000 1.000 545 S CA 1.615 59.719 58.200 -0.159 0.000 0.964 545 S CB -0.884 62.242 63.200 -0.123 0.000 0.763 545 S HN 0.667 nan 8.310 nan 0.000 0.512 546 T N -1.001 113.448 114.554 -0.176 0.000 3.060 546 T HA 0.374 4.724 4.350 0.000 0.000 0.249 546 T C 0.335 174.974 174.700 -0.101 0.000 1.079 546 T CA -0.360 61.663 62.100 -0.128 0.000 1.013 546 T CB -0.445 68.306 68.868 -0.194 0.000 0.975 546 T HN 0.273 nan 8.240 nan 0.000 0.518 547 L N 2.722 123.840 121.223 -0.175 0.000 2.265 547 L HA 0.386 4.726 4.340 0.000 0.000 0.288 547 L C 0.705 177.584 176.870 0.015 0.000 1.058 547 L CA -0.750 54.045 54.840 -0.074 0.000 0.809 547 L CB 1.273 43.209 42.059 -0.205 0.000 1.179 547 L HN 0.141 nan 8.230 nan 0.000 0.429 548 S N 3.764 119.557 115.700 0.156 0.000 2.643 548 S HA -0.034 4.436 4.470 0.000 0.000 0.329 548 S C 1.252 175.961 174.600 0.182 0.000 1.193 548 S CA -0.530 57.765 58.200 0.159 0.000 1.293 548 S CB -0.076 63.277 63.200 0.255 0.000 1.205 548 S HN 0.572 nan 8.310 nan 0.000 0.550 549 L N 5.040 126.299 121.223 0.061 0.000 2.197 549 L HA -0.108 4.233 4.340 0.000 0.000 0.215 549 L C 2.119 179.113 176.870 0.207 0.000 1.095 549 L CA 2.173 57.071 54.840 0.098 0.000 0.764 549 L CB -0.359 41.675 42.059 -0.041 0.000 0.897 549 L HN 0.697 nan 8.230 nan 0.000 0.436 550 K N -1.554 118.861 120.400 0.025 0.000 2.116 550 K HA -0.086 4.234 4.320 0.000 0.000 0.203 550 K C 0.967 177.443 176.600 -0.206 0.000 1.052 550 K CA 1.150 57.328 56.287 -0.182 0.000 0.952 550 K CB 0.033 32.301 32.500 -0.387 0.000 0.729 550 K HN 0.553 nan 8.250 nan 0.000 0.446 551 H N -0.773 118.430 119.070 0.222 0.000 2.512 551 H HA 0.044 4.600 4.556 -0.000 0.000 0.276 551 H C 0.160 175.605 175.328 0.195 0.000 1.126 551 H CA -0.245 55.907 56.048 0.174 0.000 1.060 551 H CB 0.055 29.906 29.762 0.148 0.000 1.646 551 H HN 0.454 nan 8.280 nan 0.000 0.571 552 W N 1.439 122.839 121.300 0.166 0.000 3.292 552 W HA 0.165 4.825 4.660 -0.000 0.000 0.263 552 W C -1.092 175.499 176.519 0.120 0.000 1.318 552 W CA -0.150 57.281 57.345 0.143 0.000 1.663 552 W CB -0.080 29.445 29.460 0.108 0.000 1.114 552 W HN 0.029 nan 8.180 nan 0.000 0.706 553 D N 1.291 121.473 120.400 -0.364 0.000 2.908 553 D HA -0.033 4.607 4.640 0.000 0.000 0.361 553 D C 1.149 177.344 176.300 -0.175 0.000 1.416 553 D CA -0.025 53.734 54.000 -0.401 0.000 0.796 553 D CB -0.081 40.330 40.800 -0.648 0.000 1.185 553 D HN 0.248 nan 8.370 nan 0.000 0.451 554 Q N 0.592 120.358 119.800 -0.058 0.000 2.331 554 Q HA -0.067 4.273 4.340 0.000 0.000 0.203 554 Q C 1.071 177.101 176.000 0.050 0.000 0.944 554 Q CA 1.181 56.984 55.803 -0.001 0.000 0.892 554 Q CB -0.506 28.250 28.738 0.030 0.000 0.983 554 Q HN 0.157 nan 8.270 nan 0.000 0.482 555 D N 0.138 120.530 120.400 -0.013 0.000 2.363 555 D HA -0.112 4.528 4.640 0.000 0.000 0.226 555 D C 0.683 176.999 176.300 0.028 0.000 1.020 555 D CA 0.397 54.407 54.000 0.016 0.000 0.892 555 D CB -0.000 40.731 40.800 -0.114 0.000 0.900 555 D HN 0.148 nan 8.370 nan 0.000 0.531 556 D N 0.779 121.139 120.400 -0.067 0.000 2.249 556 D HA -0.079 4.561 4.640 0.000 0.000 0.205 556 D C 0.489 176.665 176.300 -0.207 0.000 0.962 556 D CA 0.678 54.605 54.000 -0.123 0.000 0.860 556 D CB 0.022 40.728 40.800 -0.157 0.000 0.955 556 D HN 0.346 nan 8.370 nan 0.000 0.505 557 D N -0.096 120.062 120.400 -0.404 0.000 2.332 557 D HA -0.043 4.597 4.640 0.000 0.000 0.244 557 D C 0.087 175.833 176.300 -0.924 0.000 1.136 557 D CA 0.104 53.721 54.000 -0.639 0.000 0.884 557 D CB -0.623 39.704 40.800 -0.788 0.000 0.906 557 D HN 0.236 nan 8.370 nan 0.000 0.520 558 F N 0.915 120.772 119.950 -0.154 0.000 2.677 558 F HA 0.228 4.755 4.527 0.000 0.000 0.388 558 F C 0.344 175.996 175.800 -0.246 0.000 1.400 558 F CA -0.928 56.962 58.000 -0.184 0.000 1.162 558 F CB 0.233 38.975 39.000 -0.429 0.000 1.135 558 F HN -0.229 nan 8.300 nan 0.000 0.516 559 E N -0.143 120.004 120.200 -0.087 0.000 2.232 559 E HA 0.531 4.881 4.350 0.000 0.000 0.265 559 E C -0.929 175.623 176.600 -0.079 0.000 1.001 559 E CA -0.958 55.318 56.400 -0.208 0.000 0.870 559 E CB 1.594 31.266 29.700 -0.048 0.000 1.175 559 E HN -0.092 nan 8.360 nan 0.000 0.407 560 F N 0.386 120.418 119.950 0.136 0.000 2.370 560 F HA 0.228 4.755 4.527 0.000 0.000 0.324 560 F C 0.964 176.872 175.800 0.180 0.000 1.116 560 F CA -0.910 57.161 58.000 0.118 0.000 1.123 560 F CB 1.065 40.081 39.000 0.027 0.000 1.238 560 F HN 0.197 nan 8.300 nan 0.000 0.536 561 T N 1.776 116.598 114.554 0.446 0.000 2.762 561 T HA 0.608 4.958 4.350 0.000 0.000 0.303 561 T C 0.101 174.951 174.700 0.249 0.000 0.977 561 T CA -0.058 62.238 62.100 0.328 0.000 0.961 561 T CB 0.021 69.117 68.868 0.379 0.000 0.944 561 T HN 1.010 nan 8.240 nan 0.000 0.481 562 G N 2.221 111.147 108.800 0.211 0.000 2.333 562 G HA2 0.236 4.196 3.960 0.000 0.000 0.330 562 G HA3 0.236 4.196 3.960 0.000 0.000 0.330 562 G C -0.672 174.341 174.900 0.188 0.000 1.465 562 G CA -1.042 44.160 45.100 0.169 0.000 0.996 562 G HN 0.682 nan 8.290 nan 0.000 0.655 563 S N 0.461 116.243 115.700 0.137 0.000 2.572 563 S HA 0.461 4.931 4.470 0.000 0.000 0.279 563 S C 0.152 174.908 174.600 0.261 0.000 1.341 563 S CA -0.542 57.733 58.200 0.124 0.000 1.043 563 S CB 0.661 63.909 63.200 0.081 0.000 0.887 563 S HN 0.660 nan 8.310 nan 0.000 0.516 564 H N 0.907 120.051 119.070 0.122 0.000 2.732 564 H HA 0.468 5.024 4.556 0.000 0.000 0.351 564 H C 0.224 175.626 175.328 0.123 0.000 1.090 564 H CA -0.520 55.613 56.048 0.141 0.000 1.431 564 H CB 0.073 29.943 29.762 0.181 0.000 1.447 564 H HN 0.465 nan 8.280 nan 0.000 0.582 565 L N 0.649 121.999 121.223 0.213 0.000 2.341 565 L HA 0.554 4.894 4.340 0.000 0.000 0.267 565 L C 0.827 177.755 176.870 0.098 0.000 1.022 565 L CA -0.615 54.299 54.840 0.122 0.000 0.844 565 L CB 1.879 43.968 42.059 0.051 0.000 1.436 565 L HN 0.551 nan 8.230 nan 0.000 0.483 566 T N -1.039 113.532 114.554 0.027 0.000 2.838 566 T HA 0.629 4.979 4.350 0.000 0.000 0.292 566 T C -1.719 172.908 174.700 -0.122 0.000 1.113 566 T CA -0.398 61.685 62.100 -0.029 0.000 1.008 566 T CB 1.765 70.623 68.868 -0.017 0.000 1.259 566 T HN 0.169 nan 8.240 nan 0.000 0.520 567 V N 3.671 123.488 119.914 -0.161 0.000 2.340 567 V HA 0.378 4.498 4.120 0.000 0.000 0.277 567 V C 0.912 176.944 176.094 -0.104 0.000 1.017 567 V CA -0.725 61.477 62.300 -0.164 0.000 0.820 567 V CB 0.939 32.603 31.823 -0.264 0.000 1.028 567 V HN 0.889 nan 8.190 nan 0.000 0.436 568 R N 2.199 122.631 120.500 -0.113 0.000 2.313 568 R HA 0.078 4.418 4.340 0.000 0.000 0.199 568 R C 1.097 177.425 176.300 0.047 0.000 0.958 568 R CA 0.842 56.886 56.100 -0.092 0.000 1.047 568 R CB -0.105 30.135 30.300 -0.099 0.000 0.955 568 R HN 0.573 nan 8.270 nan 0.000 0.481 569 N N 1.073 119.793 118.700 0.032 0.000 2.282 569 N HA 0.077 4.817 4.740 0.000 0.000 0.185 569 N C -0.188 175.372 175.510 0.083 0.000 1.099 569 N CA 0.730 53.810 53.050 0.050 0.000 0.878 569 N CB 1.045 39.541 38.487 0.015 0.000 0.993 569 N HN 0.357 nan 8.380 nan 0.000 0.481 570 G N 0.368 109.235 108.800 0.111 0.000 3.445 570 G HA2 -0.228 3.732 3.960 0.000 0.000 0.686 570 G HA3 -0.228 3.732 3.960 0.000 0.000 0.686 570 G C -0.234 174.772 174.900 0.176 0.000 1.113 570 G CA -0.192 45.004 45.100 0.160 0.000 0.974 570 G HN 0.139 nan 8.290 nan 0.000 0.492 571 Y N 2.240 122.594 120.300 0.089 0.000 2.384 571 Y HA -0.180 4.370 4.550 0.000 0.000 0.289 571 Y C 2.967 178.905 175.900 0.064 0.000 1.152 571 Y CA 2.341 60.481 58.100 0.068 0.000 1.258 571 Y CB -0.146 38.353 38.460 0.066 0.000 0.979 571 Y HN 1.034 nan 8.280 nan 0.000 0.549 572 S N -1.421 114.431 115.700 0.254 0.000 2.493 572 S HA -0.202 4.268 4.470 0.000 0.000 0.243 572 S C 2.150 176.826 174.600 0.128 0.000 0.991 572 S CA 0.937 59.233 58.200 0.159 0.000 0.957 572 S CB -1.707 61.569 63.200 0.127 0.000 0.756 572 S HN 0.606 nan 8.310 nan 0.000 0.521 573 C N -0.229 119.153 119.300 0.137 0.000 2.446 573 C HA 0.204 4.664 4.460 0.000 0.000 0.279 573 C C 2.280 177.329 174.990 0.097 0.000 1.366 573 C CA 0.115 59.190 59.018 0.093 0.000 1.763 573 C CB -1.651 26.132 27.740 0.072 0.000 1.929 573 C HN 0.405 nan 8.230 nan 0.000 0.509 574 V N 3.266 123.271 119.914 0.152 0.000 2.244 574 V HA -0.085 4.035 4.120 0.000 0.000 0.244 574 V C 0.656 176.803 176.094 0.089 0.000 1.042 574 V CA 2.707 65.093 62.300 0.142 0.000 1.006 574 V CB -1.741 30.224 31.823 0.237 0.000 0.641 574 V HN 0.396 nan 8.190 nan 0.000 0.446 575 P HA -0.064 nan 4.420 nan 0.000 0.219 575 P C 1.824 179.139 177.300 0.026 0.000 1.150 575 P CA 1.277 64.399 63.100 0.036 0.000 0.814 575 P CB 0.012 31.726 31.700 0.024 0.000 0.787 576 V N 0.446 120.381 119.914 0.036 0.000 2.626 576 V HA -0.132 3.988 4.120 0.000 0.000 0.252 576 V C 2.728 178.830 176.094 0.012 0.000 1.067 576 V CA 1.970 64.283 62.300 0.022 0.000 1.081 576 V CB -1.420 30.421 31.823 0.029 0.000 0.686 576 V HN 0.122 nan 8.190 nan 0.000 0.468 577 A N -0.597 122.235 122.820 0.021 0.000 1.984 577 A HA 0.105 4.425 4.320 0.000 0.000 0.214 577 A C 2.055 179.638 177.584 -0.002 0.000 1.173 577 A CA 0.737 52.780 52.037 0.010 0.000 0.673 577 A CB -0.213 18.799 19.000 0.021 0.000 0.830 577 A HN 0.487 nan 8.150 nan 0.000 0.453 578 L N -0.787 120.439 121.223 0.005 0.000 2.313 578 L HA -0.005 4.336 4.340 0.000 0.000 0.214 578 L C 2.461 179.313 176.870 -0.030 0.000 1.119 578 L CA 0.729 55.565 54.840 -0.008 0.000 0.809 578 L CB -0.261 41.803 42.059 0.008 0.000 0.933 578 L HN 0.368 nan 8.230 nan 0.000 0.449 579 A N 0.226 123.031 122.820 -0.025 0.000 2.261 579 A HA -0.054 4.266 4.320 0.000 0.000 0.208 579 A C 0.816 178.374 177.584 -0.043 0.000 1.223 579 A CA -0.051 51.965 52.037 -0.036 0.000 0.833 579 A CB -0.704 18.279 19.000 -0.029 0.000 0.830 579 A HN 0.445 nan 8.150 nan 0.000 0.483 580 E N -0.488 119.685 120.200 -0.045 0.000 2.167 580 E HA 0.446 4.796 4.350 0.000 0.000 0.284 580 E C 0.787 177.351 176.600 -0.061 0.000 1.016 580 E CA 0.096 56.467 56.400 -0.048 0.000 0.817 580 E CB 0.206 29.881 29.700 -0.043 0.000 1.080 580 E HN 0.580 nan 8.360 nan 0.000 0.397 581 G N 3.994 112.761 108.800 -0.055 0.000 2.141 581 G HA2 -0.232 3.728 3.960 0.000 0.000 0.242 581 G HA3 -0.232 3.728 3.960 0.000 0.000 0.242 581 G C -0.116 174.745 174.900 -0.064 0.000 0.982 581 G CA 0.162 45.227 45.100 -0.059 0.000 0.662 581 G HN 0.473 nan 8.290 nan 0.000 0.527 582 L N 0.523 121.707 121.223 -0.065 0.000 2.325 582 L HA 0.491 4.831 4.340 0.000 0.000 0.278 582 L C -0.138 176.689 176.870 -0.071 0.000 1.023 582 L CA -1.016 53.780 54.840 -0.072 0.000 0.811 582 L CB 1.522 43.534 42.059 -0.078 0.000 1.249 582 L HN 0.060 nan 8.230 nan 0.000 0.431 583 D N 3.851 124.205 120.400 -0.077 0.000 2.435 583 D HA 0.276 4.916 4.640 0.000 0.000 0.230 583 D C -0.487 175.752 176.300 -0.102 0.000 1.215 583 D CA 0.102 54.054 54.000 -0.080 0.000 0.947 583 D CB 0.041 40.796 40.800 -0.074 0.000 1.048 583 D HN 0.226 nan 8.370 nan 0.000 0.512 584 I N 3.563 124.074 120.570 -0.098 0.000 2.354 584 I HA 0.219 4.389 4.170 0.000 0.000 0.292 584 I C 0.457 176.499 176.117 -0.125 0.000 0.989 584 I CA -0.916 60.316 61.300 -0.115 0.000 1.188 584 I CB 1.556 39.500 38.000 -0.094 0.000 1.342 584 I HN -0.104 nan 8.210 nan 0.000 0.457 585 K N 8.002 128.304 120.400 -0.163 0.000 2.354 585 K HA 0.486 4.806 4.320 0.000 0.000 0.257 585 K C -0.446 176.056 176.600 -0.162 0.000 1.062 585 K CA -0.440 55.741 56.287 -0.177 0.000 0.971 585 K CB 1.228 33.577 32.500 -0.251 0.000 1.305 585 K HN 0.535 nan 8.250 nan 0.000 0.449 586 L N 1.472 122.620 121.223 -0.124 0.000 2.479 586 L HA 0.113 4.453 4.340 0.000 0.000 0.248 586 L C 0.927 177.733 176.870 -0.106 0.000 1.205 586 L CA -0.455 54.315 54.840 -0.117 0.000 0.817 586 L CB 0.098 42.108 42.059 -0.082 0.000 1.162 586 L HN 0.663 nan 8.230 nan 0.000 0.486 587 N N -0.268 118.363 118.700 -0.115 0.000 2.696 587 N HA -0.158 4.582 4.740 0.000 0.000 0.249 587 N C -0.510 174.967 175.510 -0.056 0.000 1.090 587 N CA 1.044 54.048 53.050 -0.077 0.000 0.716 587 N CB -1.241 37.240 38.487 -0.010 0.000 1.020 587 N HN 0.636 nan 8.380 nan 0.000 0.548 588 T N 0.040 114.520 114.554 -0.125 0.000 2.991 588 T HA 0.543 4.893 4.350 0.000 0.000 0.347 588 T C 0.131 174.747 174.700 -0.139 0.000 1.122 588 T CA -0.373 61.688 62.100 -0.065 0.000 1.062 588 T CB 1.176 69.981 68.868 -0.105 0.000 1.043 588 T HN 0.324 nan 8.240 nan 0.000 0.491 589 A N 3.463 126.223 122.820 -0.100 0.000 2.276 589 A HA 0.645 4.965 4.320 0.000 0.000 0.300 589 A C 0.430 178.015 177.584 0.001 0.000 1.235 589 A CA -0.473 51.486 52.037 -0.130 0.000 0.867 589 A CB 0.267 19.243 19.000 -0.040 0.000 1.137 589 A HN 0.639 nan 8.150 nan 0.000 0.527 590 V N 4.036 123.932 119.914 -0.029 0.000 2.637 590 V HA 0.131 4.251 4.120 0.000 0.000 0.296 590 V C 1.276 177.377 176.094 0.012 0.000 1.046 590 V CA 0.478 62.773 62.300 -0.008 0.000 1.066 590 V CB 0.861 32.649 31.823 -0.059 0.000 0.968 590 V HN 1.067 nan 8.190 nan 0.000 0.483 591 R N 1.964 122.468 120.500 0.006 0.000 2.342 591 R HA 0.276 4.616 4.340 0.000 0.000 0.204 591 R C 0.406 176.672 176.300 -0.056 0.000 0.882 591 R CA 0.023 56.122 56.100 -0.002 0.000 1.041 591 R CB 0.809 31.121 30.300 0.020 0.000 1.188 591 R HN 0.761 nan 8.270 nan 0.000 0.598 592 Q N 0.413 120.168 119.800 -0.075 0.000 2.353 592 Q HA 0.372 4.712 4.340 0.000 0.000 0.275 592 Q C -1.930 173.986 176.000 -0.140 0.000 1.029 592 Q CA -0.553 55.177 55.803 -0.121 0.000 0.848 592 Q CB 2.925 31.629 28.738 -0.056 0.000 1.390 592 Q HN -0.092 nan 8.270 nan 0.000 0.401 593 V N 4.098 123.880 119.914 -0.220 0.000 2.419 593 V HA 0.312 4.432 4.120 0.000 0.000 0.287 593 V C -0.940 175.202 176.094 0.080 0.000 1.017 593 V CA -0.614 61.613 62.300 -0.122 0.000 0.844 593 V CB 1.579 33.219 31.823 -0.306 0.000 1.011 593 V HN 0.707 nan 8.190 nan 0.000 0.429 594 Q N 5.093 124.953 119.800 0.100 0.000 2.271 594 Q HA 0.668 5.008 4.340 0.000 0.000 0.258 594 Q C -1.384 174.724 176.000 0.180 0.000 0.936 594 Q CA -0.705 55.145 55.803 0.078 0.000 0.909 594 Q CB 2.295 31.038 28.738 0.009 0.000 1.253 594 Q HN 0.809 nan 8.270 nan 0.000 0.440 595 Y N -1.553 118.781 120.300 0.057 0.000 2.457 595 Y HA 0.735 5.285 4.550 0.000 0.000 0.343 595 Y C -0.625 175.306 175.900 0.052 0.000 0.994 595 Y CA -1.073 57.062 58.100 0.058 0.000 1.031 595 Y CB 1.588 40.089 38.460 0.068 0.000 1.246 595 Y HN 0.633 nan 8.280 nan 0.000 0.449 596 T N -1.306 113.315 114.554 0.113 0.000 2.865 596 T HA 0.702 5.052 4.350 0.000 0.000 0.294 596 T C 0.445 175.210 174.700 0.109 0.000 1.119 596 T CA -0.600 61.532 62.100 0.054 0.000 1.007 596 T CB 1.551 70.428 68.868 0.015 0.000 1.225 596 T HN 1.121 nan 8.240 nan 0.000 0.515 597 A N 0.490 123.358 122.820 0.080 0.000 2.255 597 A HA 0.265 4.585 4.320 0.000 0.000 0.206 597 A C 1.769 179.401 177.584 0.081 0.000 1.193 597 A CA 0.856 52.943 52.037 0.084 0.000 0.794 597 A CB -1.126 17.909 19.000 0.059 0.000 0.794 597 A HN 1.119 nan 8.150 nan 0.000 0.481 598 S N -2.800 112.948 115.700 0.080 0.000 2.603 598 S HA 0.548 5.018 4.470 0.000 0.000 0.232 598 S C 0.746 175.400 174.600 0.090 0.000 1.016 598 S CA 0.387 58.631 58.200 0.073 0.000 0.976 598 S CB 0.283 63.513 63.200 0.049 0.000 0.921 598 S HN 1.612 nan 8.310 nan 0.000 0.516 599 G N -0.219 108.649 108.800 0.113 0.000 2.362 599 G HA2 0.358 4.318 3.960 0.000 0.000 0.288 599 G HA3 0.358 4.318 3.960 0.000 0.000 0.288 599 G C -1.624 173.354 174.900 0.130 0.000 1.305 599 G CA -0.277 44.895 45.100 0.120 0.000 0.910 599 G HN 0.551 nan 8.290 nan 0.000 0.518 600 C N -0.608 118.763 119.300 0.118 0.000 2.994 600 C HA 0.859 5.319 4.460 0.000 0.000 0.305 600 C C -0.340 174.709 174.990 0.099 0.000 1.251 600 C CA -0.729 58.369 59.018 0.133 0.000 1.478 600 C CB 1.815 29.647 27.740 0.153 0.000 1.922 600 C HN 0.832 nan 8.230 nan 0.000 0.472 601 E N 0.713 120.971 120.200 0.097 0.000 2.248 601 E HA 0.684 5.034 4.350 0.000 0.000 0.267 601 E C -1.538 175.113 176.600 0.085 0.000 0.877 601 E CA -0.376 56.075 56.400 0.084 0.000 0.759 601 E CB 2.295 32.029 29.700 0.058 0.000 1.182 601 E HN 0.463 nan 8.360 nan 0.000 0.418 602 V N 4.510 124.494 119.914 0.116 0.000 2.540 602 V HA 0.479 4.599 4.120 0.000 0.000 0.302 602 V C -0.306 175.890 176.094 0.171 0.000 1.035 602 V CA -0.670 61.691 62.300 0.102 0.000 0.873 602 V CB 1.619 33.482 31.823 0.066 0.000 0.992 602 V HN 0.569 nan 8.190 nan 0.000 0.428 603 I N 3.844 124.477 120.570 0.104 0.000 2.389 603 I HA 0.817 4.987 4.170 0.000 0.000 0.288 603 I C 0.180 176.372 176.117 0.126 0.000 0.999 603 I CA -0.397 60.977 61.300 0.123 0.000 1.129 603 I CB 1.758 39.789 38.000 0.051 0.000 1.288 603 I HN 0.732 nan 8.210 nan 0.000 0.444 604 A N 5.953 128.907 122.820 0.224 0.000 2.437 604 A HA 0.954 5.274 4.320 0.000 0.000 0.292 604 A C -1.110 176.610 177.584 0.227 0.000 1.173 604 A CA -0.592 51.572 52.037 0.211 0.000 0.785 604 A CB 2.089 21.228 19.000 0.232 0.000 1.351 604 A HN 0.393 nan 8.150 nan 0.000 0.431 605 V N 1.039 121.065 119.914 0.187 0.000 2.925 605 V HA 0.359 4.479 4.120 0.000 0.000 0.311 605 V C -0.406 175.801 176.094 0.188 0.000 1.104 605 V CA -1.065 61.309 62.300 0.122 0.000 0.954 605 V CB 2.074 33.933 31.823 0.060 0.000 1.022 605 V HN 0.893 nan 8.190 nan 0.000 0.427 606 N N 2.043 120.849 118.700 0.178 0.000 2.431 606 N HA 0.013 4.753 4.740 0.000 0.000 0.265 606 N C 1.269 176.851 175.510 0.120 0.000 1.184 606 N CA 0.638 53.813 53.050 0.209 0.000 0.943 606 N CB 1.718 40.325 38.487 0.200 0.000 1.080 606 N HN 0.950 nan 8.380 nan 0.000 0.477 607 T N 1.415 116.036 114.554 0.111 0.000 3.098 607 T HA 0.051 4.401 4.350 0.000 0.000 0.266 607 T C 1.133 175.897 174.700 0.107 0.000 1.145 607 T CA 0.659 62.836 62.100 0.129 0.000 1.092 607 T CB 0.118 69.077 68.868 0.153 0.000 0.908 607 T HN 0.351 nan 8.240 nan 0.000 0.526 608 R N 1.216 121.767 120.500 0.085 0.000 2.365 608 R HA 0.258 4.598 4.340 0.000 0.000 0.223 608 R C 0.399 176.731 176.300 0.053 0.000 0.899 608 R CA 0.328 56.468 56.100 0.067 0.000 1.059 608 R CB 0.342 30.677 30.300 0.059 0.000 1.086 608 R HN 0.617 nan 8.270 nan 0.000 0.522 609 S N -1.257 114.475 115.700 0.053 0.000 2.441 609 S HA 0.009 4.479 4.470 0.000 0.000 0.187 609 S C 0.518 175.124 174.600 0.010 0.000 0.917 609 S CA -0.394 57.823 58.200 0.028 0.000 1.078 609 S CB 0.436 63.651 63.200 0.024 0.000 1.379 609 S HN 0.122 nan 8.310 nan 0.000 0.399 610 T N 0.086 114.647 114.554 0.011 0.000 2.946 610 T HA -0.164 4.186 4.350 0.000 0.000 0.271 610 T C 2.053 176.728 174.700 -0.043 0.000 1.104 610 T CA 1.587 63.684 62.100 -0.005 0.000 1.114 610 T CB -0.833 68.040 68.868 0.008 0.000 0.867 610 T HN 1.045 nan 8.240 nan 0.000 0.513 611 S N 1.748 117.423 115.700 -0.042 0.000 2.400 611 S HA -0.156 4.314 4.470 0.000 0.000 0.232 611 S C 1.022 175.559 174.600 -0.106 0.000 1.025 611 S CA 0.285 58.450 58.200 -0.058 0.000 0.993 611 S CB -0.708 62.468 63.200 -0.041 0.000 0.808 611 S HN 0.921 nan 8.310 nan 0.000 0.478 612 Q N 1.123 120.836 119.800 -0.145 0.000 2.282 612 Q HA 0.653 4.993 4.340 0.000 0.000 0.260 612 Q C -0.373 175.337 176.000 -0.483 0.000 0.964 612 Q CA -0.754 54.875 55.803 -0.291 0.000 0.880 612 Q CB 1.678 30.260 28.738 -0.260 0.000 1.286 612 Q HN 0.314 nan 8.270 nan 0.000 0.445 613 T N -0.672 113.495 114.554 -0.644 0.000 2.864 613 T HA 0.805 5.155 4.350 0.000 0.000 0.289 613 T C -0.972 173.135 174.700 -0.988 0.000 1.082 613 T CA -0.578 61.134 62.100 -0.647 0.000 1.009 613 T CB 1.065 69.778 68.868 -0.258 0.000 1.234 613 T HN 0.484 nan 8.240 nan 0.000 0.526 614 F N -0.916 119.029 119.950 -0.007 0.000 2.643 614 F HA 0.785 5.312 4.527 0.000 0.000 0.314 614 F C -0.590 175.145 175.800 -0.108 0.000 1.096 614 F CA -1.302 56.642 58.000 -0.092 0.000 0.953 614 F CB 1.948 40.912 39.000 -0.061 0.000 1.345 614 F HN 0.540 nan 8.300 nan 0.000 0.468 615 I N 1.257 121.767 120.570 -0.099 0.000 2.569 615 I HA 0.384 4.554 4.170 0.000 0.000 0.290 615 I C -1.716 174.198 176.117 -0.339 0.000 1.088 615 I CA -0.706 60.538 61.300 -0.093 0.000 1.047 615 I CB 2.328 40.291 38.000 -0.063 0.000 1.237 615 I HN 0.464 nan 8.210 nan 0.000 0.421 616 Y N 5.067 125.388 120.300 0.035 0.000 2.361 616 Y HA 0.435 4.985 4.550 -0.000 0.000 0.337 616 Y C -0.276 175.627 175.900 0.004 0.000 0.965 616 Y CA -0.982 57.123 58.100 0.008 0.000 1.091 616 Y CB 1.726 40.177 38.460 -0.016 0.000 1.182 616 Y HN 0.277 nan 8.280 nan 0.000 0.450 617 K N 3.087 123.554 120.400 0.111 0.000 2.118 617 K HA 0.819 5.139 4.320 0.000 0.000 0.267 617 K C -0.548 176.095 176.600 0.072 0.000 0.991 617 K CA -0.536 55.796 56.287 0.074 0.000 0.916 617 K CB 1.582 34.106 32.500 0.040 0.000 1.041 617 K HN 0.854 nan 8.250 nan 0.000 0.455 618 C N -1.653 117.679 119.300 0.053 0.000 3.275 618 C HA 0.309 4.769 4.460 0.000 0.000 0.340 618 C C 0.433 175.434 174.990 0.019 0.000 1.366 618 C CA -0.844 58.184 59.018 0.017 0.000 1.227 618 C CB 0.920 28.659 27.740 -0.002 0.000 1.512 618 C HN 0.867 nan 8.230 nan 0.000 0.461 619 D N 0.923 121.297 120.400 -0.043 0.000 2.201 619 D HA 0.297 4.937 4.640 0.000 0.000 0.209 619 D C 0.780 177.082 176.300 0.004 0.000 0.961 619 D CA 1.851 55.843 54.000 -0.012 0.000 0.861 619 D CB 0.474 41.194 40.800 -0.133 0.000 0.997 619 D HN 1.024 nan 8.370 nan 0.000 0.486 620 A N 0.460 123.187 122.820 -0.155 0.000 2.475 620 A HA 0.563 4.883 4.320 0.000 0.000 0.301 620 A C -0.976 176.621 177.584 0.021 0.000 1.059 620 A CA -0.507 51.546 52.037 0.026 0.000 0.710 620 A CB 2.229 21.187 19.000 -0.069 0.000 1.288 620 A HN -0.076 nan 8.150 nan 0.000 0.408 621 V N 1.834 121.811 119.914 0.106 0.000 2.555 621 V HA 0.560 4.680 4.120 0.000 0.000 0.302 621 V C -1.046 175.074 176.094 0.044 0.000 1.038 621 V CA -0.511 61.801 62.300 0.020 0.000 0.887 621 V CB 1.596 33.409 31.823 -0.018 0.000 0.991 621 V HN 0.813 nan 8.190 nan 0.000 0.434 622 L N 5.998 127.203 121.223 -0.030 0.000 2.318 622 L HA 0.559 4.899 4.340 0.000 0.000 0.277 622 L C -0.439 176.376 176.870 -0.093 0.000 1.008 622 L CA -0.043 54.772 54.840 -0.043 0.000 0.846 622 L CB 0.906 42.934 42.059 -0.052 0.000 1.220 622 L HN 0.790 nan 8.230 nan 0.000 0.423 623 C N 4.048 123.235 119.300 -0.188 0.000 2.394 623 C HA 0.620 5.080 4.460 0.000 0.000 0.362 623 C C 1.327 176.354 174.990 0.061 0.000 1.268 623 C CA 0.291 59.255 59.018 -0.091 0.000 1.828 623 C CB -0.532 27.098 27.740 -0.184 0.000 2.442 623 C HN 0.941 nan 8.230 nan 0.000 0.549 624 T N 3.948 118.556 114.554 0.091 0.000 3.415 624 T HA 0.303 4.653 4.350 0.000 0.000 0.282 624 T C -0.129 174.675 174.700 0.172 0.000 1.007 624 T CA -0.333 61.852 62.100 0.141 0.000 0.958 624 T CB -0.490 68.418 68.868 0.067 0.000 1.171 624 T HN 0.595 nan 8.240 nan 0.000 0.500 625 L N 2.327 123.666 121.223 0.193 0.000 2.410 625 L HA 0.372 4.712 4.340 0.000 0.000 0.273 625 L C -2.128 174.772 176.870 0.050 0.000 1.152 625 L CA -2.243 52.675 54.840 0.131 0.000 0.855 625 L CB 0.407 42.552 42.059 0.143 0.000 1.129 625 L HN 0.072 nan 8.230 nan 0.000 0.463 626 P HA -0.120 nan 4.420 nan 0.000 0.265 626 P C 0.502 177.467 177.300 -0.558 0.000 1.187 626 P CA -0.168 62.819 63.100 -0.189 0.000 0.766 626 P CB 0.560 32.230 31.700 -0.051 0.000 0.820 627 L N 4.157 124.807 121.223 -0.955 0.000 2.127 627 L HA -0.081 4.259 4.340 0.000 0.000 0.211 627 L C 2.065 178.343 176.870 -0.987 0.000 1.089 627 L CA 2.433 56.676 54.840 -0.995 0.000 0.757 627 L CB -1.420 40.156 42.059 -0.804 0.000 0.899 627 L HN 0.514 nan 8.230 nan 0.000 0.434 628 G N -1.633 106.151 108.800 -1.694 0.000 2.559 628 G HA2 -0.095 3.865 3.960 0.000 0.000 0.216 628 G HA3 -0.095 3.865 3.960 0.000 0.000 0.216 628 G C 1.353 176.006 174.900 -0.412 0.000 1.126 628 G CA 0.854 45.326 45.100 -1.045 0.000 0.778 628 G HN 0.363 nan 8.290 nan 0.000 0.543 629 V N 0.349 120.052 119.914 -0.352 0.000 2.685 629 V HA 0.108 4.228 4.120 0.000 0.000 0.244 629 V C 2.487 178.524 176.094 -0.095 0.000 1.054 629 V CA 0.659 62.880 62.300 -0.132 0.000 1.076 629 V CB -0.051 31.750 31.823 -0.036 0.000 0.725 629 V HN 0.319 nan 8.190 nan 0.000 0.467 630 L N -0.383 120.752 121.223 -0.147 0.000 2.610 630 L HA 0.010 4.350 4.340 0.000 0.000 0.232 630 L C 2.093 178.897 176.870 -0.112 0.000 1.149 630 L CA 1.033 55.826 54.840 -0.079 0.000 0.872 630 L CB -0.407 41.584 42.059 -0.113 0.000 0.992 630 L HN 0.268 nan 8.230 nan 0.000 0.447 631 K N -0.523 119.788 120.400 -0.149 0.000 2.348 631 K HA 0.094 4.414 4.320 0.000 0.000 0.194 631 K C 0.376 176.933 176.600 -0.073 0.000 1.052 631 K CA -0.114 56.099 56.287 -0.122 0.000 1.004 631 K CB 0.386 32.795 32.500 -0.152 0.000 0.873 631 K HN 0.282 nan 8.250 nan 0.000 0.523 632 Q N 1.646 121.410 119.800 -0.061 0.000 2.264 632 Q HA -0.140 4.200 4.340 0.000 0.000 0.296 632 Q C 0.697 176.683 176.000 -0.024 0.000 1.103 632 Q CA 0.089 55.870 55.803 -0.036 0.000 0.967 632 Q CB 0.803 29.525 28.738 -0.027 0.000 1.090 632 Q HN 0.074 nan 8.270 nan 0.000 0.379 633 Q N 3.677 123.464 119.800 -0.022 0.000 1.993 633 Q HA -0.042 4.298 4.340 0.000 0.000 0.202 633 Q C -1.439 174.557 176.000 -0.008 0.000 0.984 633 Q CA 1.371 57.164 55.803 -0.016 0.000 0.837 633 Q CB -0.973 27.755 28.738 -0.017 0.000 0.902 633 Q HN 0.448 nan 8.270 nan 0.000 0.423 634 P HA 0.089 nan 4.420 nan 0.000 0.263 634 P C -2.474 174.826 177.300 -0.001 0.000 1.276 634 P CA -0.760 62.336 63.100 -0.006 0.000 0.986 634 P CB 0.381 32.074 31.700 -0.012 0.000 1.105 635 P HA -0.050 nan 4.420 nan 0.000 0.267 635 P C 0.141 177.456 177.300 0.025 0.000 1.200 635 P CA 0.245 63.361 63.100 0.027 0.000 0.772 635 P CB 1.103 32.834 31.700 0.051 0.000 0.855 636 A N 3.197 126.038 122.820 0.036 0.000 2.063 636 A HA 0.216 4.536 4.320 0.000 0.000 0.211 636 A C 0.724 178.331 177.584 0.037 0.000 1.177 636 A CA 0.681 52.745 52.037 0.045 0.000 0.759 636 A CB 0.110 19.151 19.000 0.069 0.000 0.857 636 A HN 0.414 nan 8.150 nan 0.000 0.468 637 V N 1.055 120.983 119.914 0.024 0.000 2.443 637 V HA 0.313 4.433 4.120 0.000 0.000 0.293 637 V C -0.556 175.476 176.094 -0.103 0.000 1.021 637 V CA -0.586 61.668 62.300 -0.076 0.000 0.848 637 V CB 1.384 33.135 31.823 -0.119 0.000 0.998 637 V HN 0.550 nan 8.190 nan 0.000 0.424 638 Q N 3.864 123.584 119.800 -0.133 0.000 2.278 638 Q HA 0.564 4.904 4.340 0.000 0.000 0.257 638 Q C -1.561 174.345 176.000 -0.155 0.000 0.928 638 Q CA -0.450 55.327 55.803 -0.045 0.000 0.932 638 Q CB 1.037 29.770 28.738 -0.009 0.000 1.221 638 Q HN 0.593 nan 8.270 nan 0.000 0.434 639 F N 2.537 122.537 119.950 0.082 0.000 2.399 639 F HA 0.424 4.951 4.527 0.000 0.000 0.334 639 F C -0.199 175.652 175.800 0.085 0.000 1.097 639 F CA -0.684 57.410 58.000 0.156 0.000 1.076 639 F CB 1.700 40.838 39.000 0.230 0.000 1.162 639 F HN 0.240 nan 8.300 nan 0.000 0.495 640 V N 4.428 124.446 119.914 0.173 0.000 2.443 640 V HA 0.321 4.441 4.120 0.000 0.000 0.272 640 V C -2.534 173.340 176.094 -0.366 0.000 1.002 640 V CA -1.348 60.924 62.300 -0.047 0.000 0.840 640 V CB 1.055 32.846 31.823 -0.052 0.000 1.042 640 V HN 0.504 nan 8.190 nan 0.000 0.446 641 P HA 0.453 nan 4.420 nan 0.000 0.293 641 P C -2.653 174.673 177.300 0.043 0.000 1.291 641 P CA -2.099 60.892 63.100 -0.182 0.000 0.867 641 P CB 1.613 33.187 31.700 -0.209 0.000 1.074 642 P HA 0.056 nan 4.420 nan 0.000 0.273 642 P C -0.297 177.039 177.300 0.061 0.000 1.252 642 P CA 0.317 63.487 63.100 0.117 0.000 0.809 642 P CB 0.756 32.486 31.700 0.049 0.000 1.017 643 L N 0.361 121.555 121.223 -0.048 0.000 2.342 643 L HA 0.436 4.776 4.340 0.000 0.000 0.271 643 L C -1.820 174.888 176.870 -0.270 0.000 1.008 643 L CA -2.351 52.386 54.840 -0.172 0.000 0.818 643 L CB 2.085 43.931 42.059 -0.354 0.000 1.296 643 L HN 0.305 nan 8.230 nan 0.000 0.427 644 P HA -0.019 nan 4.420 nan 0.000 0.271 644 P C 0.048 177.089 177.300 -0.433 0.000 1.244 644 P CA -0.126 62.731 63.100 -0.405 0.000 0.793 644 P CB 1.064 32.425 31.700 -0.565 0.000 0.984 645 E N 0.960 121.026 120.200 -0.224 0.000 2.031 645 E HA -0.168 4.183 4.350 0.000 0.000 0.193 645 E C 1.930 178.462 176.600 -0.114 0.000 0.994 645 E CA 1.785 58.110 56.400 -0.125 0.000 0.800 645 E CB -0.783 28.909 29.700 -0.013 0.000 0.752 645 E HN 0.638 nan 8.360 nan 0.000 0.447 646 W N 0.832 122.091 121.300 -0.067 0.000 2.331 646 W HA -0.214 4.446 4.660 -0.000 0.000 0.291 646 W C 1.630 178.077 176.519 -0.119 0.000 1.214 646 W CA 1.240 58.536 57.345 -0.081 0.000 1.228 646 W CB -0.738 28.680 29.460 -0.071 0.000 1.135 646 W HN 0.041 nan 8.180 nan 0.000 0.537 647 K N 1.632 121.596 120.400 -0.725 0.000 2.031 647 K HA -0.114 4.206 4.320 0.000 0.000 0.205 647 K C 2.414 178.776 176.600 -0.397 0.000 1.049 647 K CA 3.068 58.906 56.287 -0.748 0.000 0.939 647 K CB -0.837 30.947 32.500 -1.194 0.000 0.717 647 K HN 0.177 nan 8.250 nan 0.000 0.438 648 T N -1.710 112.635 114.554 -0.349 0.000 2.904 648 T HA -0.027 4.323 4.350 0.000 0.000 0.267 648 T C 2.082 176.696 174.700 -0.143 0.000 1.059 648 T CA 1.348 63.311 62.100 -0.228 0.000 1.137 648 T CB -0.403 68.353 68.868 -0.188 0.000 0.879 648 T HN 0.021 nan 8.240 nan 0.000 0.467 649 S N 1.866 117.507 115.700 -0.099 0.000 2.370 649 S HA 0.006 4.476 4.470 0.000 0.000 0.226 649 S C 2.620 177.188 174.600 -0.054 0.000 1.033 649 S CA 1.041 59.212 58.200 -0.049 0.000 1.011 649 S CB -0.779 62.421 63.200 0.000 0.000 0.852 649 S HN 0.732 nan 8.310 nan 0.000 0.457 650 A N 1.051 123.838 122.820 -0.055 0.000 1.877 650 A HA -0.055 4.265 4.320 0.000 0.000 0.216 650 A C 2.341 179.850 177.584 -0.125 0.000 1.186 650 A CA 1.567 53.561 52.037 -0.071 0.000 0.620 650 A CB -0.949 18.022 19.000 -0.048 0.000 0.822 650 A HN 0.343 nan 8.150 nan 0.000 0.443 651 V N 0.198 120.019 119.914 -0.154 0.000 2.332 651 V HA -0.340 3.780 4.120 0.000 0.000 0.248 651 V C 2.654 178.663 176.094 -0.141 0.000 1.055 651 V CA 2.346 64.543 62.300 -0.172 0.000 1.038 651 V CB -0.961 30.748 31.823 -0.190 0.000 0.651 651 V HN 0.669 nan 8.190 nan 0.000 0.450 652 Q N -0.677 119.058 119.800 -0.110 0.000 2.119 652 Q HA -0.153 4.187 4.340 0.000 0.000 0.201 652 Q C 2.503 178.460 176.000 -0.072 0.000 0.972 652 Q CA 1.230 56.984 55.803 -0.081 0.000 0.847 652 Q CB -0.207 28.494 28.738 -0.061 0.000 0.903 652 Q HN 0.553 nan 8.270 nan 0.000 0.433 653 R N 0.187 120.644 120.500 -0.071 0.000 2.066 653 R HA 0.019 4.359 4.340 0.000 0.000 0.232 653 R C 0.991 177.242 176.300 -0.083 0.000 1.131 653 R CA 0.553 56.620 56.100 -0.055 0.000 0.955 653 R CB -0.125 30.152 30.300 -0.039 0.000 0.851 653 R HN 0.254 nan 8.270 nan 0.000 0.432 654 M N 0.028 119.545 119.600 -0.138 0.000 2.245 654 M HA 0.035 4.515 4.480 0.000 0.000 0.312 654 M C 0.772 176.907 176.300 -0.274 0.000 1.070 654 M CA 0.368 55.543 55.300 -0.209 0.000 1.162 654 M CB 0.381 32.815 32.600 -0.276 0.000 1.448 654 M HN 0.110 nan 8.290 nan 0.000 0.446 655 G N 0.786 109.274 108.800 -0.519 0.000 2.417 655 G HA2 0.673 4.633 3.960 0.000 0.000 0.334 655 G HA3 0.673 4.633 3.960 0.000 0.000 0.334 655 G C -1.954 172.524 174.900 -0.704 0.000 1.150 655 G CA -0.329 44.146 45.100 -1.040 0.000 0.923 655 G HN 0.559 nan 8.290 nan 0.000 0.485 656 F N 1.662 121.291 119.950 -0.536 0.000 2.716 656 F HA 0.564 5.091 4.527 0.000 0.000 0.354 656 F C 0.622 176.422 175.800 0.001 0.000 1.168 656 F CA -0.865 57.008 58.000 -0.211 0.000 1.045 656 F CB 1.209 40.119 39.000 -0.150 0.000 1.311 656 F HN 0.722 nan 8.300 nan 0.000 0.477 657 G N 3.069 111.751 108.800 -0.198 0.000 2.553 657 G HA2 0.296 4.256 3.960 0.000 0.000 0.278 657 G HA3 0.296 4.256 3.960 0.000 0.000 0.278 657 G C -1.077 173.588 174.900 -0.392 0.000 1.349 657 G CA -0.298 44.710 45.100 -0.152 0.000 1.037 657 G HN 0.620 nan 8.290 nan 0.000 0.508 658 N N -2.517 116.010 118.700 -0.288 0.000 2.525 658 N HA 0.655 5.395 4.740 0.000 0.000 0.270 658 N C -1.666 173.727 175.510 -0.196 0.000 1.321 658 N CA -0.659 52.266 53.050 -0.209 0.000 0.797 658 N CB 2.093 40.544 38.487 -0.059 0.000 1.529 658 N HN 0.811 nan 8.380 nan 0.000 0.491 659 L N 0.522 121.693 121.223 -0.086 0.000 3.349 659 L HA 0.509 4.849 4.340 0.000 0.000 0.265 659 L C -1.933 175.012 176.870 0.125 0.000 0.964 659 L CA -0.230 54.603 54.840 -0.011 0.000 1.103 659 L CB 0.839 42.830 42.059 -0.113 0.000 1.838 659 L HN 0.807 nan 8.230 nan 0.000 0.527 660 N N 2.821 121.613 118.700 0.153 0.000 2.653 660 N HA 0.840 5.580 4.740 0.000 0.000 0.294 660 N C -1.536 174.049 175.510 0.125 0.000 1.305 660 N CA -1.092 52.069 53.050 0.184 0.000 0.827 660 N CB 1.848 40.399 38.487 0.108 0.000 1.415 660 N HN 0.583 nan 8.380 nan 0.000 0.546 661 K N 0.033 120.475 120.400 0.070 0.000 2.533 661 K HA 0.619 4.939 4.320 0.000 0.000 0.272 661 K C -1.732 174.812 176.600 -0.093 0.000 0.985 661 K CA -0.765 55.510 56.287 -0.020 0.000 0.876 661 K CB 2.538 35.033 32.500 -0.008 0.000 1.452 661 K HN 0.088 nan 8.250 nan 0.000 0.439 662 V N 1.357 121.175 119.914 -0.159 0.000 2.656 662 V HA 0.433 4.553 4.120 0.000 0.000 0.307 662 V C -0.856 175.101 176.094 -0.228 0.000 1.051 662 V CA -0.939 61.246 62.300 -0.192 0.000 0.893 662 V CB 1.974 33.682 31.823 -0.192 0.000 0.999 662 V HN 0.467 nan 8.190 nan 0.000 0.426 663 V N 5.740 125.495 119.914 -0.264 0.000 2.409 663 V HA 0.501 4.621 4.120 0.000 0.000 0.291 663 V C -0.462 175.437 176.094 -0.324 0.000 1.020 663 V CA -0.391 61.731 62.300 -0.298 0.000 0.848 663 V CB 1.617 33.222 31.823 -0.363 0.000 0.990 663 V HN 0.657 nan 8.190 nan 0.000 0.430 664 L N 4.979 126.000 121.223 -0.337 0.000 2.318 664 L HA 0.470 4.810 4.340 0.000 0.000 0.277 664 L C -0.626 175.828 176.870 -0.694 0.000 1.008 664 L CA -0.215 54.311 54.840 -0.524 0.000 0.846 664 L CB 1.357 43.167 42.059 -0.415 0.000 1.220 664 L HN 0.565 nan 8.230 nan 0.000 0.423 665 C N 3.550 122.413 119.300 -0.727 0.000 2.246 665 C HA 0.541 5.001 4.460 0.000 0.000 0.329 665 C C 0.095 174.712 174.990 -0.621 0.000 1.221 665 C CA -0.638 57.899 59.018 -0.802 0.000 1.697 665 C CB -0.926 26.090 27.740 -1.206 0.000 2.312 665 C HN 0.398 nan 8.230 nan 0.000 0.509 666 F N 1.572 121.521 119.950 -0.002 0.000 2.458 666 F HA 0.290 4.817 4.527 0.000 0.000 0.330 666 F C 1.509 177.441 175.800 0.220 0.000 1.082 666 F CA -0.591 57.518 58.000 0.182 0.000 0.995 666 F CB 0.667 39.859 39.000 0.319 0.000 1.170 666 F HN 0.496 nan 8.300 nan 0.000 0.478 667 D N 0.622 121.300 120.400 0.463 0.000 2.126 667 D HA -0.154 4.486 4.640 0.000 0.000 0.190 667 D C 1.024 177.464 176.300 0.234 0.000 1.001 667 D CA 1.637 55.821 54.000 0.305 0.000 0.841 667 D CB 0.281 41.224 40.800 0.238 0.000 0.949 667 D HN 0.459 nan 8.370 nan 0.000 0.446 668 R N -1.084 119.537 120.500 0.202 0.000 2.906 668 R HA 0.526 4.866 4.340 0.000 0.000 0.258 668 R C -1.036 175.186 176.300 -0.131 0.000 1.156 668 R CA -0.698 55.431 56.100 0.048 0.000 0.996 668 R CB 0.815 31.121 30.300 0.010 0.000 1.259 668 R HN -0.178 nan 8.270 nan 0.000 0.462 669 V N 1.666 121.342 119.914 -0.397 0.000 2.472 669 V HA 0.424 4.544 4.120 0.000 0.000 0.290 669 V C -0.455 175.079 176.094 -0.933 0.000 1.037 669 V CA -0.510 61.130 62.300 -1.100 0.000 0.908 669 V CB 0.990 32.182 31.823 -1.052 0.000 0.985 669 V HN 0.724 nan 8.190 nan 0.000 0.454 670 F N 2.239 121.463 119.950 -1.210 0.000 2.749 670 F HA 0.655 5.182 4.527 0.000 0.000 0.380 670 F C -0.859 174.537 175.800 -0.673 0.000 1.365 670 F CA -1.298 56.300 58.000 -0.670 0.000 1.186 670 F CB -0.066 38.692 39.000 -0.404 0.000 1.080 670 F HN 0.493 nan 8.300 nan 0.000 0.513 671 W N -1.164 119.870 121.300 -0.445 0.000 3.146 671 W HA 0.579 5.239 4.660 0.000 0.000 0.319 671 W C -1.260 175.146 176.519 -0.189 0.000 1.258 671 W CA -1.501 55.587 57.345 -0.429 0.000 1.189 671 W CB 0.087 29.378 29.460 -0.282 0.000 1.412 671 W HN -0.188 nan 8.180 nan 0.000 0.567 672 D N 2.686 123.147 120.400 0.102 0.000 2.450 672 D HA 0.056 4.696 4.640 0.000 0.000 0.247 672 D C -1.537 174.859 176.300 0.160 0.000 1.162 672 D CA -1.011 53.033 54.000 0.075 0.000 0.879 672 D CB 1.151 42.003 40.800 0.086 0.000 1.163 672 D HN 0.117 nan 8.370 nan 0.000 0.472 673 P HA -0.124 nan 4.420 nan 0.000 0.221 673 P C 1.319 178.688 177.300 0.116 0.000 1.150 673 P CA 0.950 64.109 63.100 0.099 0.000 0.800 673 P CB 0.203 31.915 31.700 0.020 0.000 0.787 674 S N -1.084 114.669 115.700 0.087 0.000 2.447 674 S HA -0.048 4.422 4.470 0.000 0.000 0.233 674 S C 1.020 175.678 174.600 0.096 0.000 1.006 674 S CA 0.329 58.573 58.200 0.075 0.000 0.957 674 S CB -1.523 61.709 63.200 0.053 0.000 0.773 674 S HN 0.114 nan 8.310 nan 0.000 0.507 675 V N 0.661 120.662 119.914 0.144 0.000 2.408 675 V HA 0.456 4.576 4.120 0.000 0.000 0.267 675 V C 0.537 176.727 176.094 0.161 0.000 1.047 675 V CA -0.518 61.880 62.300 0.164 0.000 0.937 675 V CB 0.460 32.426 31.823 0.238 0.000 0.999 675 V HN 0.286 nan 8.190 nan 0.000 0.472 676 N N 3.297 122.034 118.700 0.062 0.000 2.349 676 N HA 0.301 5.041 4.740 0.000 0.000 0.180 676 N C 0.573 175.987 175.510 -0.161 0.000 1.024 676 N CA 0.215 53.258 53.050 -0.012 0.000 0.869 676 N CB 0.197 38.643 38.487 -0.068 0.000 1.022 676 N HN 0.648 nan 8.380 nan 0.000 0.433 677 L N -0.368 120.733 121.223 -0.203 0.000 2.464 677 L HA 0.588 4.928 4.340 0.000 0.000 0.264 677 L C -1.211 175.649 176.870 -0.018 0.000 1.062 677 L CA -1.004 53.629 54.840 -0.344 0.000 0.935 677 L CB 0.810 42.620 42.059 -0.415 0.000 1.603 677 L HN 0.117 nan 8.230 nan 0.000 0.528 678 F N -1.624 118.254 119.950 -0.120 0.000 2.573 678 F HA 0.435 4.962 4.527 0.000 0.000 0.292 678 F C -0.938 174.866 175.800 0.007 0.000 0.952 678 F CA -0.956 57.002 58.000 -0.071 0.000 0.928 678 F CB -1.126 37.798 39.000 -0.126 0.000 1.356 678 F HN 0.468 nan 8.300 nan 0.000 0.557 679 G N 2.169 111.146 108.800 0.296 0.000 2.491 679 G HA2 0.503 4.463 3.960 0.000 0.000 0.327 679 G HA3 0.503 4.463 3.960 0.000 0.000 0.327 679 G C -1.767 173.405 174.900 0.452 0.000 1.189 679 G CA -0.802 44.567 45.100 0.448 0.000 0.956 679 G HN 1.154 nan 8.290 nan 0.000 0.491 680 H N 0.300 119.678 119.070 0.514 0.000 2.459 680 H HA 0.391 4.947 4.556 0.000 0.000 0.332 680 H C -0.871 174.731 175.328 0.457 0.000 1.094 680 H CA -0.479 55.800 56.048 0.385 0.000 1.224 680 H CB 1.771 31.777 29.762 0.406 0.000 1.449 680 H HN 0.143 nan 8.280 nan 0.000 0.484 681 V N 5.337 125.163 119.914 -0.146 0.000 2.408 681 V HA 0.194 4.314 4.120 0.000 0.000 0.267 681 V C 1.198 177.243 176.094 -0.081 0.000 1.047 681 V CA -0.225 62.082 62.300 0.012 0.000 0.937 681 V CB 0.825 32.608 31.823 -0.067 0.000 0.999 681 V HN 0.888 nan 8.190 nan 0.000 0.472 682 G N 3.464 112.390 108.800 0.210 0.000 2.483 682 G HA2 0.324 4.284 3.960 0.000 0.000 0.248 682 G HA3 0.324 4.284 3.960 0.000 0.000 0.248 682 G C 1.049 176.034 174.900 0.142 0.000 1.248 682 G CA 0.280 45.522 45.100 0.237 0.000 0.838 682 G HN 0.847 nan 8.290 nan 0.000 0.566 683 S N 1.041 116.827 115.700 0.143 0.000 2.338 683 S HA -0.031 4.439 4.470 0.000 0.000 0.218 683 S C 1.149 175.801 174.600 0.086 0.000 1.032 683 S CA 1.135 59.393 58.200 0.097 0.000 0.999 683 S CB -0.294 62.964 63.200 0.097 0.000 0.905 683 S HN 0.538 nan 8.310 nan 0.000 0.439 684 T N 1.740 116.349 114.554 0.091 0.000 2.929 684 T HA 0.422 4.772 4.350 0.000 0.000 0.284 684 T C 0.849 175.599 174.700 0.082 0.000 1.014 684 T CA -0.415 61.730 62.100 0.075 0.000 1.051 684 T CB 1.561 70.465 68.868 0.059 0.000 1.028 684 T HN 0.222 nan 8.240 nan 0.000 0.485 685 T N 1.834 116.433 114.554 0.075 0.000 2.977 685 T HA -0.030 4.320 4.350 0.000 0.000 0.271 685 T C 2.056 176.788 174.700 0.054 0.000 1.105 685 T CA 1.020 63.170 62.100 0.083 0.000 1.116 685 T CB -0.165 68.748 68.868 0.076 0.000 0.878 685 T HN 0.689 nan 8.240 nan 0.000 0.509 686 A N 0.725 123.568 122.820 0.039 0.000 1.984 686 A HA 0.177 4.497 4.320 0.000 0.000 0.214 686 A C 2.070 179.667 177.584 0.022 0.000 1.173 686 A CA 0.468 52.516 52.037 0.019 0.000 0.673 686 A CB 0.060 19.068 19.000 0.014 0.000 0.830 686 A HN 0.360 nan 8.150 nan 0.000 0.453 687 S N 0.007 115.734 115.700 0.045 0.000 2.602 687 S HA 0.161 4.631 4.470 0.000 0.000 0.246 687 S C 1.310 175.957 174.600 0.078 0.000 1.009 687 S CA -0.443 57.791 58.200 0.056 0.000 1.052 687 S CB -0.180 63.063 63.200 0.072 0.000 0.778 687 S HN 0.496 nan 8.310 nan 0.000 0.455 688 R N 1.198 121.731 120.500 0.057 0.000 2.096 688 R HA -0.111 4.229 4.340 0.000 0.000 0.240 688 R C 1.814 178.116 176.300 0.004 0.000 1.139 688 R CA 1.453 57.590 56.100 0.061 0.000 0.952 688 R CB -0.426 29.899 30.300 0.042 0.000 0.854 688 R HN 0.387 nan 8.270 nan 0.000 0.436 689 G N 0.938 109.681 108.800 -0.094 0.000 3.678 689 G HA2 -0.026 3.934 3.960 0.000 0.000 0.287 689 G HA3 -0.026 3.934 3.960 0.000 0.000 0.287 689 G C -0.458 174.469 174.900 0.045 0.000 1.280 689 G CA -0.430 44.549 45.100 -0.202 0.000 1.118 689 G HN 0.204 nan 8.290 nan 0.000 0.563 690 E N 1.211 121.485 120.200 0.123 0.000 2.014 690 E HA 0.352 4.702 4.350 0.000 0.000 0.275 690 E C 0.597 177.278 176.600 0.136 0.000 0.997 690 E CA -0.585 55.881 56.400 0.110 0.000 0.804 690 E CB -0.052 29.696 29.700 0.080 0.000 1.090 690 E HN 0.237 nan 8.360 nan 0.000 0.401 691 L N 4.715 125.999 121.223 0.102 0.000 3.865 691 L HA -0.280 4.060 4.340 0.000 0.000 0.408 691 L C 0.685 177.660 176.870 0.176 0.000 1.209 691 L CA 0.150 54.982 54.840 -0.014 0.000 0.940 691 L CB -2.242 39.769 42.059 -0.080 0.000 1.971 691 L HN 0.636 nan 8.230 nan 0.000 0.899 692 F N -0.298 119.691 119.950 0.064 0.000 2.771 692 F HA 0.497 5.024 4.527 0.000 0.000 0.299 692 F C 0.306 176.252 175.800 0.244 0.000 1.177 692 F CA 0.058 58.169 58.000 0.186 0.000 1.450 692 F CB 0.087 39.021 39.000 -0.110 0.000 1.114 692 F HN 0.097 nan 8.300 nan 0.000 0.587 693 L N 0.180 121.046 121.223 -0.596 0.000 2.545 693 L HA 0.562 4.902 4.340 0.000 0.000 0.258 693 L C -2.131 174.472 176.870 -0.446 0.000 0.942 693 L CA -1.204 53.264 54.840 -0.620 0.000 0.855 693 L CB 1.667 42.874 42.059 -1.420 0.000 1.374 693 L HN -0.064 nan 8.230 nan 0.000 0.411 694 F N 2.594 122.140 119.950 -0.674 0.000 2.518 694 F HA 0.580 5.107 4.527 0.000 0.000 0.323 694 F C -0.772 174.656 175.800 -0.620 0.000 1.129 694 F CA -0.403 57.173 58.000 -0.705 0.000 0.920 694 F CB 1.597 39.858 39.000 -1.233 0.000 1.160 694 F HN 0.373 nan 8.300 nan 0.000 0.440 695 W N 1.911 123.010 121.300 -0.335 0.000 2.497 695 W HA 0.430 5.090 4.660 0.000 0.000 0.359 695 W C 0.880 177.321 176.519 -0.130 0.000 1.131 695 W CA -0.365 56.875 57.345 -0.175 0.000 1.280 695 W CB 1.186 30.616 29.460 -0.050 0.000 1.319 695 W HN 0.584 nan 8.180 nan 0.000 0.626 696 N N 0.132 118.971 118.700 0.231 0.000 1.885 696 N HA -0.124 4.616 4.740 0.000 0.000 0.229 696 N C 1.233 176.951 175.510 0.347 0.000 1.411 696 N CA 0.311 53.486 53.050 0.210 0.000 0.790 696 N CB -0.468 38.051 38.487 0.054 0.000 1.064 696 N HN 0.283 nan 8.380 nan 0.000 0.492 697 L N 0.786 122.203 121.223 0.324 0.000 2.232 697 L HA -0.175 4.165 4.340 0.000 0.000 0.219 697 L C -0.384 176.547 176.870 0.102 0.000 1.086 697 L CA 1.585 56.553 54.840 0.213 0.000 0.789 697 L CB -1.259 40.969 42.059 0.282 0.000 0.890 697 L HN 0.222 nan 8.230 nan 0.000 0.441 698 Y N 2.229 122.662 120.300 0.221 0.000 2.828 698 Y HA 0.003 4.553 4.550 0.000 0.000 0.359 698 Y C 1.052 177.073 175.900 0.201 0.000 1.258 698 Y CA 0.149 58.363 58.100 0.191 0.000 1.652 698 Y CB -0.540 38.031 38.460 0.185 0.000 1.232 698 Y HN 0.223 nan 8.280 nan 0.000 0.513 699 K N 3.183 123.686 120.400 0.171 0.000 2.620 699 K HA 0.369 4.689 4.320 0.000 0.000 0.234 699 K C 0.087 176.801 176.600 0.191 0.000 1.194 699 K CA 0.162 56.543 56.287 0.158 0.000 1.186 699 K CB -0.468 32.085 32.500 0.087 0.000 1.270 699 K HN 0.582 nan 8.250 nan 0.000 0.235 700 A N 1.628 124.610 122.820 0.271 0.000 2.540 700 A HA 0.349 4.669 4.320 0.000 0.000 0.291 700 A C -2.708 175.088 177.584 0.352 0.000 1.083 700 A CA -1.162 51.039 52.037 0.274 0.000 0.650 700 A CB 1.031 20.215 19.000 0.306 0.000 1.292 700 A HN 0.166 nan 8.150 nan 0.000 0.435 701 P HA 0.268 nan 4.420 nan 0.000 0.249 701 P C -0.777 176.816 177.300 0.487 0.000 1.686 701 P CA 0.646 64.002 63.100 0.427 0.000 0.873 701 P CB -0.666 31.231 31.700 0.327 0.000 1.828 702 I N 0.772 121.595 120.570 0.421 0.000 2.404 702 I HA 0.332 4.502 4.170 0.000 0.000 0.293 702 I C -0.223 175.955 176.117 0.102 0.000 0.992 702 I CA -1.166 60.230 61.300 0.159 0.000 1.149 702 I CB 2.102 40.111 38.000 0.015 0.000 1.315 702 I HN -0.124 nan 8.210 nan 0.000 0.446 703 L N 7.218 128.401 121.223 -0.066 0.000 2.362 703 L HA 0.572 4.912 4.340 0.000 0.000 0.275 703 L C -1.004 175.783 176.870 -0.138 0.000 0.998 703 L CA -0.352 54.406 54.840 -0.136 0.000 0.820 703 L CB 1.818 43.785 42.059 -0.153 0.000 1.270 703 L HN 0.394 nan 8.230 nan 0.000 0.415 704 L N 4.300 125.458 121.223 -0.107 0.000 2.319 704 L HA 0.756 5.096 4.340 0.000 0.000 0.281 704 L C -0.203 176.470 176.870 -0.328 0.000 1.005 704 L CA -0.678 54.056 54.840 -0.175 0.000 0.828 704 L CB 1.716 43.707 42.059 -0.114 0.000 1.227 704 L HN 0.720 nan 8.230 nan 0.000 0.415 705 A N 5.368 127.883 122.820 -0.509 0.000 2.305 705 A HA 0.798 5.118 4.320 0.000 0.000 0.322 705 A C -0.437 176.878 177.584 -0.448 0.000 1.187 705 A CA -0.483 51.031 52.037 -0.871 0.000 0.825 705 A CB 0.850 19.229 19.000 -1.035 0.000 1.164 705 A HN 0.658 nan 8.150 nan 0.000 0.498 706 L N 1.808 122.797 121.223 -0.390 0.000 2.332 706 L HA 0.708 5.048 4.340 0.000 0.000 0.269 706 L C -0.795 176.100 176.870 0.042 0.000 1.016 706 L CA -1.022 53.740 54.840 -0.130 0.000 0.809 706 L CB 1.747 43.716 42.059 -0.150 0.000 1.280 706 L HN 0.395 nan 8.230 nan 0.000 0.447 707 V N 0.802 120.801 119.914 0.143 0.000 2.482 707 V HA 0.722 4.842 4.120 0.000 0.000 0.295 707 V C -0.085 176.103 176.094 0.157 0.000 1.026 707 V CA -0.399 61.983 62.300 0.136 0.000 0.856 707 V CB 1.412 33.269 31.823 0.056 0.000 1.001 707 V HN 0.943 nan 8.190 nan 0.000 0.424 708 A N 3.286 126.152 122.820 0.076 0.000 2.389 708 A HA 1.048 5.368 4.320 0.000 0.000 0.293 708 A C 0.654 178.179 177.584 -0.098 0.000 1.186 708 A CA -0.038 51.993 52.037 -0.009 0.000 0.828 708 A CB 1.140 20.078 19.000 -0.104 0.000 1.369 708 A HN 2.157 nan 8.150 nan 0.000 0.446 709 G N -0.217 108.510 108.800 -0.121 0.000 2.591 709 G HA2 -0.278 3.682 3.960 0.000 0.000 0.278 709 G HA3 -0.278 3.682 3.960 0.000 0.000 0.278 709 G C 0.550 175.399 174.900 -0.085 0.000 1.293 709 G CA 0.743 45.768 45.100 -0.125 0.000 0.930 709 G HN 0.941 nan 8.290 nan 0.000 0.562 710 E N 0.004 120.158 120.200 -0.076 0.000 2.284 710 E HA -0.161 4.189 4.350 0.000 0.000 0.200 710 E C 2.825 179.407 176.600 -0.030 0.000 1.008 710 E CA 1.383 57.753 56.400 -0.049 0.000 0.829 710 E CB -0.279 29.396 29.700 -0.042 0.000 0.744 710 E HN 0.744 nan 8.360 nan 0.000 0.491 711 A N 1.322 124.125 122.820 -0.027 0.000 1.968 711 A HA 0.017 4.337 4.320 0.000 0.000 0.217 711 A C 2.340 179.922 177.584 -0.004 0.000 1.169 711 A CA 1.172 53.204 52.037 -0.008 0.000 0.638 711 A CB -0.415 18.588 19.000 0.005 0.000 0.812 711 A HN 0.292 nan 8.150 nan 0.000 0.446 712 A N 0.072 122.887 122.820 -0.009 0.000 1.859 712 A HA -0.025 4.295 4.320 0.000 0.000 0.218 712 A C 2.468 180.053 177.584 0.003 0.000 1.242 712 A CA 2.466 54.504 52.037 0.003 0.000 0.661 712 A CB -1.690 17.303 19.000 -0.013 0.000 0.842 712 A HN 0.831 nan 8.150 nan 0.000 0.455 713 G N -0.418 108.379 108.800 -0.005 0.000 2.639 713 G HA2 -0.250 3.710 3.960 0.000 0.000 0.216 713 G HA3 -0.250 3.710 3.960 0.000 0.000 0.216 713 G C 1.505 176.402 174.900 -0.005 0.000 1.267 713 G CA 1.253 46.352 45.100 -0.001 0.000 0.801 713 G HN 0.505 nan 8.290 nan 0.000 0.592 714 I N 0.758 121.324 120.570 -0.007 0.000 2.130 714 I HA -0.371 3.799 4.170 0.000 0.000 0.241 714 I C 2.999 179.111 176.117 -0.009 0.000 1.023 714 I CA 2.093 63.389 61.300 -0.007 0.000 1.293 714 I CB -0.323 37.674 38.000 -0.005 0.000 1.001 714 I HN 0.262 nan 8.210 nan 0.000 0.407 715 M N -0.479 119.117 119.600 -0.007 0.000 2.346 715 M HA -0.216 4.264 4.480 0.000 0.000 0.263 715 M C 1.854 178.142 176.300 -0.019 0.000 1.064 715 M CA 1.501 56.795 55.300 -0.011 0.000 1.083 715 M CB -0.784 31.812 32.600 -0.008 0.000 1.399 715 M HN 0.311 nan 8.290 nan 0.000 0.435 716 E N 0.775 120.963 120.200 -0.019 0.000 2.333 716 E HA -0.144 4.206 4.350 0.000 0.000 0.198 716 E C 0.468 177.047 176.600 -0.035 0.000 1.007 716 E CA 0.713 57.095 56.400 -0.031 0.000 0.845 716 E CB -0.252 29.433 29.700 -0.026 0.000 0.766 716 E HN 0.587 nan 8.360 nan 0.000 0.507 717 N N 0.262 118.946 118.700 -0.026 0.000 2.389 717 N HA 0.169 4.909 4.740 0.000 0.000 0.237 717 N C -0.808 174.688 175.510 -0.024 0.000 1.148 717 N CA 0.220 53.255 53.050 -0.026 0.000 0.854 717 N CB 0.422 38.897 38.487 -0.020 0.000 1.115 717 N HN 0.020 nan 8.380 nan 0.000 0.492 718 I N -0.268 120.285 120.570 -0.028 0.000 2.533 718 I HA 0.188 4.358 4.170 0.000 0.000 0.290 718 I C 0.094 176.192 176.117 -0.031 0.000 1.056 718 I CA -1.113 60.172 61.300 -0.025 0.000 1.057 718 I CB 1.900 39.888 38.000 -0.020 0.000 1.240 718 I HN -0.008 nan 8.210 nan 0.000 0.423 719 S N 3.710 119.393 115.700 -0.027 0.000 2.558 719 S HA -0.048 4.422 4.470 0.000 0.000 0.293 719 S C 0.861 175.440 174.600 -0.035 0.000 1.292 719 S CA -0.030 58.152 58.200 -0.030 0.000 1.063 719 S CB 0.533 63.721 63.200 -0.022 0.000 0.831 719 S HN 0.598 nan 8.310 nan 0.000 0.499 720 D N 2.897 123.270 120.400 -0.046 0.000 2.116 720 D HA -0.132 4.508 4.640 0.000 0.000 0.193 720 D C 1.454 177.730 176.300 -0.041 0.000 0.998 720 D CA 1.763 55.729 54.000 -0.056 0.000 0.836 720 D CB -0.362 40.395 40.800 -0.071 0.000 0.951 720 D HN 0.708 nan 8.370 nan 0.000 0.449 721 D N 0.133 120.517 120.400 -0.028 0.000 2.106 721 D HA -0.124 4.516 4.640 0.000 0.000 0.191 721 D C 2.321 178.618 176.300 -0.005 0.000 0.997 721 D CA 0.727 54.719 54.000 -0.013 0.000 0.834 721 D CB -0.339 40.458 40.800 -0.006 0.000 0.956 721 D HN 0.093 nan 8.370 nan 0.000 0.448 722 V N 1.519 121.428 119.914 -0.007 0.000 2.343 722 V HA -0.219 3.901 4.120 0.000 0.000 0.247 722 V C 2.561 178.654 176.094 -0.002 0.000 1.051 722 V CA 1.086 63.385 62.300 -0.001 0.000 1.036 722 V CB -0.323 31.498 31.823 -0.004 0.000 0.654 722 V HN 0.206 nan 8.190 nan 0.000 0.451 723 I N -0.503 120.058 120.570 -0.015 0.000 2.252 723 I HA -0.191 3.979 4.170 0.000 0.000 0.245 723 I C 2.400 178.509 176.117 -0.013 0.000 1.102 723 I CA 1.176 62.464 61.300 -0.021 0.000 1.385 723 I CB -0.390 37.585 38.000 -0.041 0.000 1.064 723 I HN 0.163 nan 8.210 nan 0.000 0.414 724 V N 1.219 121.124 119.914 -0.014 0.000 2.255 724 V HA -0.252 3.868 4.120 0.000 0.000 0.247 724 V C 2.679 178.801 176.094 0.047 0.000 1.051 724 V CA 2.264 64.568 62.300 0.007 0.000 1.018 724 V CB -1.569 30.253 31.823 -0.003 0.000 0.641 724 V HN 0.578 nan 8.190 nan 0.000 0.445 725 G N -0.260 108.563 108.800 0.038 0.000 2.513 725 G HA2 -0.341 3.619 3.960 0.000 0.000 0.219 725 G HA3 -0.341 3.619 3.960 0.000 0.000 0.219 725 G C 1.728 176.662 174.900 0.056 0.000 1.160 725 G CA 1.229 46.358 45.100 0.049 0.000 0.767 725 G HN 0.443 nan 8.290 nan 0.000 0.571 726 R N -0.826 119.698 120.500 0.041 0.000 2.127 726 R HA -0.068 4.272 4.340 0.000 0.000 0.238 726 R C 2.719 179.058 176.300 0.065 0.000 1.134 726 R CA 1.266 57.389 56.100 0.038 0.000 0.975 726 R CB -0.524 29.786 30.300 0.016 0.000 0.865 726 R HN 0.450 nan 8.270 nan 0.000 0.447 727 C N 0.265 119.625 119.300 0.099 0.000 2.462 727 C HA -0.027 4.433 4.460 0.000 0.000 0.278 727 C C 2.503 177.635 174.990 0.236 0.000 1.253 727 C CA 0.434 59.578 59.018 0.211 0.000 1.713 727 C CB -0.857 27.001 27.740 0.197 0.000 2.049 727 C HN 0.450 nan 8.230 nan 0.000 0.477 728 L N 1.376 122.717 121.223 0.197 0.000 2.042 728 L HA -0.200 4.140 4.340 0.000 0.000 0.210 728 L C 2.904 179.829 176.870 0.091 0.000 1.076 728 L CA 1.707 56.654 54.840 0.178 0.000 0.749 728 L CB -1.010 41.143 42.059 0.157 0.000 0.893 728 L HN 0.371 nan 8.230 nan 0.000 0.432 729 A N 0.686 123.550 122.820 0.073 0.000 1.865 729 A HA -0.218 4.102 4.320 0.000 0.000 0.217 729 A C 2.236 179.837 177.584 0.027 0.000 1.191 729 A CA 1.823 53.886 52.037 0.042 0.000 0.623 729 A CB -0.766 18.262 19.000 0.046 0.000 0.826 729 A HN 0.343 nan 8.150 nan 0.000 0.444 730 I N -0.381 120.217 120.570 0.045 0.000 2.208 730 I HA -0.291 3.879 4.170 0.000 0.000 0.245 730 I C 2.441 178.502 176.117 -0.093 0.000 1.097 730 I CA 1.315 62.635 61.300 0.033 0.000 1.363 730 I CB -0.343 37.671 38.000 0.024 0.000 1.051 730 I HN 0.326 nan 8.210 nan 0.000 0.413 731 L N 0.231 121.391 121.223 -0.105 0.000 2.044 731 L HA -0.176 4.164 4.340 0.000 0.000 0.205 731 L C 2.497 179.174 176.870 -0.321 0.000 1.075 731 L CA 1.280 55.973 54.840 -0.245 0.000 0.747 731 L CB -0.598 41.513 42.059 0.088 0.000 0.903 731 L HN 0.146 nan 8.230 nan 0.000 0.435 732 K N 0.235 120.549 120.400 -0.143 0.000 2.286 732 K HA -0.138 4.182 4.320 0.000 0.000 0.203 732 K C 1.762 178.273 176.600 -0.148 0.000 1.045 732 K CA 1.195 57.406 56.287 -0.128 0.000 0.935 732 K CB -0.380 32.083 32.500 -0.061 0.000 0.737 732 K HN 0.410 nan 8.250 nan 0.000 0.460 733 G N 0.202 108.906 108.800 -0.160 0.000 3.026 733 G HA2 0.008 3.968 3.960 0.000 0.000 0.208 733 G HA3 0.008 3.968 3.960 0.000 0.000 0.208 733 G C 1.129 175.912 174.900 -0.196 0.000 1.169 733 G CA 0.013 45.039 45.100 -0.123 0.000 0.788 733 G HN 0.174 nan 8.290 nan 0.000 0.533 734 I N -1.832 118.490 120.570 -0.414 0.000 4.607 734 I HA 0.260 4.430 4.170 0.000 0.000 0.324 734 I C 0.480 176.362 176.117 -0.392 0.000 1.279 734 I CA 0.099 61.080 61.300 -0.531 0.000 1.286 734 I CB 0.653 38.021 38.000 -1.053 0.000 1.265 734 I HN 0.036 nan 8.210 nan 0.000 0.446 735 F N 1.358 121.271 119.950 -0.061 0.000 2.729 735 F HA 0.567 5.094 4.527 0.000 0.000 0.315 735 F C 1.125 176.870 175.800 -0.092 0.000 1.102 735 F CA -0.778 57.183 58.000 -0.065 0.000 1.204 735 F CB -0.309 38.646 39.000 -0.076 0.000 1.052 735 F HN -0.029 nan 8.300 nan 0.000 0.551 736 G N 1.178 109.982 108.800 0.008 0.000 2.801 736 G HA2 -0.208 3.752 3.960 0.000 0.000 0.686 736 G HA3 -0.208 3.752 3.960 0.000 0.000 0.686 736 G C 0.926 175.803 174.900 -0.039 0.000 1.507 736 G CA 0.062 45.152 45.100 -0.017 0.000 0.980 736 G HN 0.595 nan 8.290 nan 0.000 0.589 737 S N -0.167 115.508 115.700 -0.041 0.000 2.399 737 S HA -0.278 4.192 4.470 0.000 0.000 0.235 737 S C 2.561 177.123 174.600 -0.064 0.000 1.063 737 S CA 2.936 61.107 58.200 -0.047 0.000 1.070 737 S CB -0.609 62.574 63.200 -0.027 0.000 0.904 737 S HN 2.366 nan 8.310 nan 0.000 0.456 738 S N 1.483 117.148 115.700 -0.058 0.000 2.478 738 S HA 0.491 4.961 4.470 0.000 0.000 0.222 738 S C 1.518 176.053 174.600 -0.109 0.000 1.008 738 S CA 0.224 58.385 58.200 -0.065 0.000 0.928 738 S CB -0.415 62.762 63.200 -0.038 0.000 0.781 738 S HN 0.866 nan 8.310 nan 0.000 0.518 739 A N 1.631 124.368 122.820 -0.138 0.000 2.416 739 A HA 0.532 4.852 4.320 0.000 0.000 0.252 739 A C 0.589 177.851 177.584 -0.537 0.000 1.353 739 A CA 0.021 51.932 52.037 -0.209 0.000 0.996 739 A CB -1.000 17.931 19.000 -0.115 0.000 0.961 739 A HN 1.163 nan 8.150 nan 0.000 0.523 740 V N -2.549 117.082 119.914 -0.472 0.000 2.791 740 V HA 0.343 4.463 4.120 0.000 0.000 0.258 740 V C -2.782 173.169 176.094 -0.238 0.000 0.875 740 V CA -1.680 60.209 62.300 -0.686 0.000 0.922 740 V CB 0.482 31.948 31.823 -0.594 0.000 1.034 740 V HN 0.265 nan 8.190 nan 0.000 0.492 741 P HA 0.155 nan 4.420 nan 0.000 0.272 741 P C -0.208 177.229 177.300 0.228 0.000 1.254 741 P CA 0.073 63.225 63.100 0.087 0.000 0.795 741 P CB 0.955 32.746 31.700 0.151 0.000 1.022 742 Q N 0.801 120.741 119.800 0.232 0.000 2.354 742 Q HA 0.252 4.592 4.340 0.000 0.000 0.244 742 Q C -1.974 174.254 176.000 0.380 0.000 0.969 742 Q CA -1.618 54.352 55.803 0.278 0.000 0.885 742 Q CB 0.184 29.019 28.738 0.161 0.000 1.241 742 Q HN 0.300 nan 8.270 nan 0.000 0.461 743 P HA -0.020 nan 4.420 nan 0.000 0.269 743 P C -0.656 176.675 177.300 0.051 0.000 1.215 743 P CA 0.061 63.172 63.100 0.020 0.000 0.780 743 P CB 0.888 32.426 31.700 -0.269 0.000 0.898 744 K N 0.426 120.846 120.400 0.033 0.000 2.211 744 K HA 0.077 4.397 4.320 0.000 0.000 0.201 744 K C 0.455 177.095 176.600 0.068 0.000 1.052 744 K CA 1.040 57.389 56.287 0.102 0.000 0.973 744 K CB 0.426 33.050 32.500 0.207 0.000 0.766 744 K HN 0.536 nan 8.250 nan 0.000 0.466 745 E N 0.181 120.359 120.200 -0.036 0.000 2.331 745 E HA 0.202 4.552 4.350 0.000 0.000 0.275 745 E C -1.103 175.398 176.600 -0.166 0.000 0.895 745 E CA -0.282 56.110 56.400 -0.014 0.000 0.753 745 E CB 2.424 32.215 29.700 0.152 0.000 1.216 745 E HN -0.066 nan 8.360 nan 0.000 0.434 746 T N 0.088 114.543 114.554 -0.165 0.000 2.916 746 T HA 0.676 5.026 4.350 0.000 0.000 0.305 746 T C -1.507 172.983 174.700 -0.349 0.000 1.119 746 T CA -0.490 61.453 62.100 -0.262 0.000 1.008 746 T CB 1.239 69.993 68.868 -0.190 0.000 1.129 746 T HN 0.122 nan 8.240 nan 0.000 0.480 747 V N 3.639 123.288 119.914 -0.442 0.000 2.888 747 V HA 0.703 4.823 4.120 0.000 0.000 0.309 747 V C -0.849 175.046 176.094 -0.331 0.000 1.114 747 V CA -0.779 61.227 62.300 -0.490 0.000 0.940 747 V CB 2.220 33.493 31.823 -0.916 0.000 1.021 747 V HN 0.863 nan 8.190 nan 0.000 0.426 748 V N 2.779 122.539 119.914 -0.256 0.000 2.531 748 V HA 0.606 4.726 4.120 0.000 0.000 0.301 748 V C 0.186 176.168 176.094 -0.187 0.000 1.034 748 V CA -0.456 61.731 62.300 -0.189 0.000 0.865 748 V CB 2.120 33.856 31.823 -0.145 0.000 0.995 748 V HN 1.024 nan 8.190 nan 0.000 0.424 749 S N 5.154 120.760 115.700 -0.158 0.000 2.616 749 S HA 0.703 5.173 4.470 0.000 0.000 0.277 749 S C -0.150 174.336 174.600 -0.190 0.000 1.234 749 S CA -0.744 57.322 58.200 -0.225 0.000 1.028 749 S CB 1.171 64.297 63.200 -0.122 0.000 0.988 749 S HN 0.730 nan 8.310 nan 0.000 0.522 750 R N 1.526 121.838 120.500 -0.313 0.000 2.684 750 R HA 0.173 4.513 4.340 0.000 0.000 0.252 750 R C -0.743 175.450 176.300 -0.179 0.000 1.628 750 R CA -0.225 55.775 56.100 -0.168 0.000 1.622 750 R CB -0.100 30.114 30.300 -0.143 0.000 1.418 750 R HN 0.824 nan 8.270 nan 0.000 0.697 751 W N 0.414 121.704 121.300 -0.015 0.000 2.538 751 W HA -0.095 4.565 4.660 -0.000 0.000 0.254 751 W C 2.187 178.716 176.519 0.017 0.000 1.249 751 W CA 0.551 57.899 57.345 0.006 0.000 1.253 751 W CB 0.025 29.483 29.460 -0.004 0.000 1.130 751 W HN 0.291 nan 8.180 nan 0.000 0.618 752 R N 0.691 121.287 120.500 0.161 0.000 2.112 752 R HA 0.118 4.458 4.340 0.000 0.000 0.216 752 R C 2.060 178.388 176.300 0.047 0.000 1.080 752 R CA 1.549 57.718 56.100 0.114 0.000 0.996 752 R CB -0.919 29.423 30.300 0.070 0.000 0.902 752 R HN -0.043 nan 8.270 nan 0.000 0.449 753 A N 0.358 123.172 122.820 -0.009 0.000 2.119 753 A HA -0.012 4.308 4.320 0.000 0.000 0.217 753 A C 0.382 177.903 177.584 -0.105 0.000 1.153 753 A CA 0.612 52.613 52.037 -0.061 0.000 0.692 753 A CB -0.494 18.458 19.000 -0.079 0.000 0.799 753 A HN 0.354 nan 8.150 nan 0.000 0.458 754 D N 0.477 120.822 120.400 -0.091 0.000 2.358 754 D HA 0.104 4.744 4.640 0.000 0.000 0.258 754 D C -1.241 174.969 176.300 -0.150 0.000 1.223 754 D CA -1.994 51.922 54.000 -0.141 0.000 0.886 754 D CB 1.166 41.903 40.800 -0.105 0.000 1.120 754 D HN 0.126 nan 8.370 nan 0.000 0.482 755 P HA -0.144 nan 4.420 nan 0.000 0.216 755 P C 0.972 178.096 177.300 -0.294 0.000 1.150 755 P CA 1.180 63.978 63.100 -0.503 0.000 0.837 755 P CB -0.128 30.994 31.700 -0.962 0.000 0.786 756 W N -0.768 120.560 121.300 0.047 0.000 3.180 756 W HA 0.353 5.013 4.660 -0.000 0.000 0.254 756 W C 1.908 178.495 176.519 0.115 0.000 1.318 756 W CA -0.028 57.355 57.345 0.064 0.000 1.608 756 W CB -0.073 29.424 29.460 0.062 0.000 1.124 756 W HN 0.045 nan 8.180 nan 0.000 0.694 757 A N -0.462 122.542 122.820 0.306 0.000 1.773 757 A HA 0.237 4.557 4.320 0.000 0.000 0.210 757 A C 1.346 179.110 177.584 0.299 0.000 1.775 757 A CA -0.177 52.073 52.037 0.355 0.000 1.157 757 A CB 0.226 19.566 19.000 0.566 0.000 1.119 757 A HN -0.029 nan 8.150 nan 0.000 0.501 758 R N -0.463 120.184 120.500 0.245 0.000 3.651 758 R HA -0.135 4.205 4.340 0.000 0.000 0.292 758 R C 0.490 177.052 176.300 0.437 0.000 1.161 758 R CA 1.363 57.590 56.100 0.212 0.000 0.787 758 R CB -2.541 27.801 30.300 0.070 0.000 1.249 758 R HN 2.053 nan 8.270 nan 0.000 0.476 759 G N -2.624 106.466 108.800 0.484 0.000 2.339 759 G HA2 0.154 4.114 3.960 0.000 0.000 0.275 759 G HA3 0.154 4.114 3.960 0.000 0.000 0.275 759 G C 0.213 175.119 174.900 0.009 0.000 1.323 759 G CA -0.022 45.233 45.100 0.258 0.000 0.927 759 G HN 0.007 nan 8.290 nan 0.000 0.486 760 S N -1.154 114.200 115.700 -0.578 0.000 2.559 760 S HA 0.581 5.051 4.470 0.000 0.000 0.212 760 S C 0.077 174.317 174.600 -0.601 0.000 0.994 760 S CA 1.597 59.426 58.200 -0.618 0.000 0.903 760 S CB 0.010 62.742 63.200 -0.781 0.000 0.861 760 S HN 1.193 nan 8.310 nan 0.000 0.601 761 Y N 0.047 119.848 120.300 -0.833 0.000 2.788 761 Y HA 0.660 5.210 4.550 0.000 0.000 0.335 761 Y C -0.356 175.280 175.900 -0.441 0.000 1.287 761 Y CA -1.691 56.104 58.100 -0.508 0.000 1.068 761 Y CB 0.221 38.565 38.460 -0.193 0.000 1.340 761 Y HN 0.140 nan 8.280 nan 0.000 0.449 762 S N 0.571 116.422 115.700 0.252 0.000 2.614 762 S HA 0.655 5.125 4.470 0.000 0.000 0.265 762 S C -1.011 173.777 174.600 0.313 0.000 1.303 762 S CA -0.006 58.336 58.200 0.236 0.000 1.000 762 S CB 0.653 64.041 63.200 0.314 0.000 0.935 762 S HN 1.261 nan 8.310 nan 0.000 0.551 763 Y N -2.294 118.141 120.300 0.226 0.000 2.552 763 Y HA 0.607 5.157 4.550 0.000 0.000 0.337 763 Y C -1.357 174.693 175.900 0.249 0.000 1.094 763 Y CA -1.792 56.439 58.100 0.219 0.000 1.028 763 Y CB 0.359 38.880 38.460 0.100 0.000 1.321 763 Y HN 0.443 nan 8.280 nan 0.000 0.456 764 V N 3.603 123.844 119.914 0.545 0.000 2.403 764 V HA 0.519 4.639 4.120 0.000 0.000 0.265 764 V C 0.838 177.225 176.094 0.488 0.000 1.034 764 V CA 0.194 62.762 62.300 0.446 0.000 1.036 764 V CB -0.482 31.587 31.823 0.411 0.000 1.032 764 V HN 0.986 nan 8.190 nan 0.000 0.478 765 A N 4.693 127.706 122.820 0.323 0.000 2.371 765 A HA 0.647 4.967 4.320 0.000 0.000 0.257 765 A C 1.694 179.416 177.584 0.230 0.000 1.089 765 A CA 0.232 52.482 52.037 0.355 0.000 0.794 765 A CB 0.462 19.555 19.000 0.155 0.000 1.029 765 A HN 1.277 nan 8.150 nan 0.000 0.488 766 A N 1.967 124.896 122.820 0.182 0.000 1.944 766 A HA -0.149 4.171 4.320 0.000 0.000 0.222 766 A C 1.858 179.501 177.584 0.099 0.000 1.237 766 A CA 2.571 54.670 52.037 0.104 0.000 0.668 766 A CB -1.094 17.936 19.000 0.049 0.000 0.830 766 A HN 1.755 nan 8.150 nan 0.000 0.471 767 G N -1.754 107.098 108.800 0.087 0.000 3.523 767 G HA2 0.426 4.386 3.960 0.000 0.000 0.270 767 G HA3 0.426 4.386 3.960 0.000 0.000 0.270 767 G C 0.182 175.129 174.900 0.079 0.000 1.134 767 G CA 0.869 46.012 45.100 0.072 0.000 0.825 767 G HN 0.589 nan 8.290 nan 0.000 0.534 768 S N -0.479 115.289 115.700 0.112 0.000 2.638 768 S HA 0.820 5.290 4.470 0.000 0.000 0.302 768 S C -0.029 174.640 174.600 0.114 0.000 1.096 768 S CA 0.083 58.337 58.200 0.089 0.000 0.953 768 S CB 1.855 65.090 63.200 0.058 0.000 1.107 768 S HN 0.624 nan 8.310 nan 0.000 0.503 769 S N 0.745 116.463 115.700 0.029 0.000 2.732 769 S HA 0.634 5.104 4.470 0.000 0.000 0.293 769 S C 1.117 175.728 174.600 0.018 0.000 1.159 769 S CA -0.248 57.863 58.200 -0.148 0.000 0.847 769 S CB 0.629 63.606 63.200 -0.372 0.000 1.169 769 S HN 1.007 nan 8.310 nan 0.000 0.501 770 G N 1.120 109.874 108.800 -0.076 0.000 2.448 770 G HA2 -0.181 3.779 3.960 0.000 0.000 0.219 770 G HA3 -0.181 3.779 3.960 0.000 0.000 0.219 770 G C 1.011 175.969 174.900 0.097 0.000 1.127 770 G CA 0.644 45.766 45.100 0.035 0.000 0.766 770 G HN 0.708 nan 8.290 nan 0.000 0.552 771 N N 1.290 119.992 118.700 0.003 0.000 2.192 771 N HA -0.104 4.636 4.740 0.000 0.000 0.188 771 N C 1.466 176.994 175.510 0.030 0.000 1.013 771 N CA 1.354 54.404 53.050 -0.001 0.000 0.863 771 N CB -0.245 38.222 38.487 -0.034 0.000 0.990 771 N HN 0.235 nan 8.380 nan 0.000 0.430 772 D N -0.339 120.093 120.400 0.053 0.000 2.219 772 D HA -0.076 4.564 4.640 0.000 0.000 0.205 772 D C 1.517 177.790 176.300 -0.044 0.000 0.970 772 D CA 0.653 54.648 54.000 -0.009 0.000 0.851 772 D CB -0.222 40.538 40.800 -0.067 0.000 0.943 772 D HN 0.355 nan 8.370 nan 0.000 0.488 773 Y N 0.881 121.163 120.300 -0.029 0.000 2.373 773 Y HA -0.049 4.501 4.550 0.000 0.000 0.293 773 Y C 1.953 177.828 175.900 -0.041 0.000 1.129 773 Y CA 0.670 58.753 58.100 -0.029 0.000 1.226 773 Y CB 0.040 38.476 38.460 -0.039 0.000 1.000 773 Y HN -0.064 nan 8.280 nan 0.000 0.549 774 D N -0.226 120.236 120.400 0.103 0.000 2.149 774 D HA -0.089 4.551 4.640 0.000 0.000 0.201 774 D C 2.164 178.469 176.300 0.010 0.000 0.972 774 D CA 0.920 54.940 54.000 0.033 0.000 0.835 774 D CB -0.170 40.628 40.800 -0.003 0.000 0.966 774 D HN 0.315 nan 8.370 nan 0.000 0.476 775 L N 0.208 121.439 121.223 0.013 0.000 2.056 775 L HA -0.099 4.241 4.340 0.000 0.000 0.207 775 L C 2.427 179.372 176.870 0.125 0.000 1.078 775 L CA 0.666 55.549 54.840 0.071 0.000 0.749 775 L CB -0.303 41.830 42.059 0.124 0.000 0.901 775 L HN 0.002 nan 8.230 nan 0.000 0.433 776 M N -0.553 119.040 119.600 -0.011 0.000 2.358 776 M HA -0.113 4.367 4.480 0.000 0.000 0.264 776 M C 2.276 178.511 176.300 -0.107 0.000 1.064 776 M CA 1.420 56.640 55.300 -0.134 0.000 1.093 776 M CB -1.047 31.481 32.600 -0.120 0.000 1.401 776 M HN 0.300 nan 8.290 nan 0.000 0.440 777 A N -1.040 121.782 122.820 0.005 0.000 1.984 777 A HA 0.004 4.324 4.320 0.000 0.000 0.214 777 A C 1.314 178.991 177.584 0.155 0.000 1.173 777 A CA -0.002 52.080 52.037 0.075 0.000 0.673 777 A CB -0.255 18.778 19.000 0.055 0.000 0.830 777 A HN 0.448 nan 8.150 nan 0.000 0.453 778 Q N 1.098 120.979 119.800 0.134 0.000 2.263 778 Q HA 0.091 4.431 4.340 0.000 0.000 0.289 778 Q C -2.162 174.015 176.000 0.295 0.000 1.061 778 Q CA -1.449 54.452 55.803 0.164 0.000 0.927 778 Q CB 0.704 29.468 28.738 0.044 0.000 1.154 778 Q HN 0.347 nan 8.270 nan 0.000 0.378 779 P HA 0.174 nan 4.420 nan 0.000 0.275 779 P C -0.606 176.754 177.300 0.099 0.000 1.266 779 P CA -0.001 63.166 63.100 0.111 0.000 0.793 779 P CB 0.907 32.555 31.700 -0.086 0.000 1.074 780 I N 0.211 120.732 120.570 -0.080 0.000 2.436 780 I HA 0.222 4.393 4.170 0.000 0.000 0.289 780 I C 0.212 176.282 176.117 -0.077 0.000 1.010 780 I CA -0.537 60.754 61.300 -0.015 0.000 1.098 780 I CB 1.974 39.932 38.000 -0.069 0.000 1.266 780 I HN 0.161 nan 8.210 nan 0.000 0.434 781 T N 6.499 121.076 114.554 0.038 0.000 2.845 781 T HA 0.299 4.649 4.350 0.000 0.000 0.288 781 T C -1.807 172.980 174.700 0.144 0.000 0.980 781 T CA -1.075 61.060 62.100 0.057 0.000 1.071 781 T CB 1.304 70.203 68.868 0.052 0.000 0.941 781 T HN 0.507 nan 8.240 nan 0.000 0.487 782 P HA 0.280 nan 4.420 nan 0.000 0.269 782 P C 0.424 177.780 177.300 0.093 0.000 1.478 782 P CA -0.153 63.078 63.100 0.218 0.000 1.045 782 P CB 0.353 32.262 31.700 0.348 0.000 1.512 783 G N 1.049 109.893 108.800 0.075 0.000 3.107 783 G HA2 0.713 4.673 3.960 0.000 0.000 0.232 783 G HA3 0.713 4.673 3.960 0.000 0.000 0.232 783 G C -2.784 172.139 174.900 0.038 0.000 1.339 783 G CA -1.021 44.105 45.100 0.042 0.000 1.033 783 G HN 0.027 nan 8.290 nan 0.000 0.567 784 P HA 0.770 nan 4.420 nan 0.000 0.310 784 P C -0.977 176.330 177.300 0.012 0.000 1.278 784 P CA -0.701 62.411 63.100 0.021 0.000 0.892 784 P CB 2.327 34.039 31.700 0.021 0.000 1.352 792 P HA 0.068 nan 4.420 nan 0.000 0.271 792 P C -0.497 176.811 177.300 0.013 0.000 1.197 792 P CA 0.348 63.464 63.100 0.026 0.000 0.777 792 P CB 0.587 32.309 31.700 0.038 0.000 0.827 793 I N -4.164 116.415 120.570 0.016 0.000 2.827 793 I HA 0.466 4.636 4.170 0.000 0.000 0.298 793 I C -3.105 173.016 176.117 0.006 0.000 1.235 793 I CA -3.409 57.883 61.300 -0.013 0.000 1.021 793 I CB 2.213 40.175 38.000 -0.063 0.000 1.259 793 I HN -0.006 nan 8.210 nan 0.000 0.427 794 P HA 0.174 nan 4.420 nan 0.000 0.261 794 P C -0.351 176.908 177.300 -0.068 0.000 1.183 794 P CA -0.130 62.892 63.100 -0.130 0.000 0.761 794 P CB 0.489 32.115 31.700 -0.123 0.000 0.785 795 R N 1.949 122.326 120.500 -0.205 0.000 2.383 795 R HA 0.234 4.574 4.340 0.000 0.000 0.205 795 R C -0.072 176.114 176.300 -0.191 0.000 0.875 795 R CA 0.048 56.168 56.100 0.034 0.000 1.039 795 R CB -0.125 30.267 30.300 0.153 0.000 1.267 795 R HN 0.306 nan 8.270 nan 0.000 0.635 796 L N 1.675 122.573 121.223 -0.543 0.000 2.280 796 L HA 0.505 4.845 4.340 0.000 0.000 0.287 796 L C -1.254 175.170 176.870 -0.744 0.000 1.023 796 L CA -0.579 53.914 54.840 -0.578 0.000 0.819 796 L CB 0.597 42.202 42.059 -0.756 0.000 1.212 796 L HN -0.183 nan 8.230 nan 0.000 0.420 797 F N 4.654 124.392 119.950 -0.352 0.000 2.538 797 F HA 0.643 5.170 4.527 0.000 0.000 0.325 797 F C -0.530 174.980 175.800 -0.483 0.000 1.066 797 F CA -0.422 57.442 58.000 -0.226 0.000 0.946 797 F CB 1.611 40.573 39.000 -0.063 0.000 1.199 797 F HN 0.205 nan 8.300 nan 0.000 0.473 798 F N 1.251 121.300 119.950 0.165 0.000 2.520 798 F HA 0.796 5.323 4.527 0.000 0.000 0.322 798 F C -0.017 175.800 175.800 0.029 0.000 1.103 798 F CA -0.830 57.213 58.000 0.071 0.000 0.926 798 F CB 1.844 40.851 39.000 0.011 0.000 1.154 798 F HN 0.577 nan 8.300 nan 0.000 0.453 799 A N 1.519 124.430 122.820 0.152 0.000 2.566 799 A HA 0.994 5.314 4.320 0.000 0.000 0.292 799 A C -0.414 177.161 177.584 -0.015 0.000 1.112 799 A CA -0.318 51.744 52.037 0.042 0.000 0.707 799 A CB 1.817 20.836 19.000 0.032 0.000 1.302 799 A HN 1.604 nan 8.150 nan 0.000 0.409 800 G N -0.407 108.358 108.800 -0.059 0.000 2.326 800 G HA2 0.322 4.282 3.960 0.000 0.000 0.413 800 G HA3 0.322 4.282 3.960 0.000 0.000 0.413 800 G C 0.274 175.162 174.900 -0.020 0.000 1.444 800 G CA 0.283 45.377 45.100 -0.009 0.000 1.002 800 G HN 1.075 nan 8.290 nan 0.000 0.649 801 E N 0.083 120.363 120.200 0.133 0.000 2.339 801 E HA -0.263 4.087 4.350 0.000 0.000 0.201 801 E C 1.384 178.128 176.600 0.241 0.000 1.015 801 E CA 2.024 58.513 56.400 0.149 0.000 0.841 801 E CB -0.226 29.575 29.700 0.168 0.000 0.754 801 E HN 0.785 nan 8.360 nan 0.000 0.508 802 H N -1.060 118.095 119.070 0.143 0.000 2.542 802 H HA 0.212 4.768 4.556 -0.000 0.000 0.283 802 H C 1.036 176.427 175.328 0.106 0.000 1.059 802 H CA 0.812 56.934 56.048 0.125 0.000 1.162 802 H CB -0.181 29.585 29.762 0.006 0.000 1.539 802 H HN 0.154 nan 8.280 nan 0.000 0.543 803 T N -2.094 112.370 114.554 -0.150 0.000 3.003 803 T HA 0.252 4.602 4.350 0.000 0.000 0.261 803 T C 0.595 175.329 174.700 0.057 0.000 1.003 803 T CA -0.337 61.710 62.100 -0.089 0.000 0.917 803 T CB 0.054 68.823 68.868 -0.166 0.000 1.084 803 T HN 0.232 nan 8.240 nan 0.000 0.522 804 I N 2.283 122.908 120.570 0.092 0.000 2.330 804 I HA 0.434 4.604 4.170 0.000 0.000 0.289 804 I C 1.378 177.458 176.117 -0.061 0.000 1.001 804 I CA -1.188 60.134 61.300 0.037 0.000 1.193 804 I CB 1.128 39.152 38.000 0.040 0.000 1.345 804 I HN -0.013 nan 8.210 nan 0.000 0.461 805 R N 4.224 124.641 120.500 -0.138 0.000 2.088 805 R HA -0.147 4.193 4.340 0.000 0.000 0.232 805 R C 1.180 177.169 176.300 -0.518 0.000 1.136 805 R CA 1.925 57.824 56.100 -0.335 0.000 0.926 805 R CB -0.166 29.985 30.300 -0.250 0.000 0.837 805 R HN 0.693 nan 8.270 nan 0.000 0.429 806 N N -0.419 117.867 118.700 -0.690 0.000 2.550 806 N HA -0.101 4.639 4.740 0.000 0.000 0.186 806 N C -0.072 174.662 175.510 -1.292 0.000 1.110 806 N CA 0.931 53.235 53.050 -1.243 0.000 0.912 806 N CB 0.169 37.328 38.487 -2.214 0.000 0.968 806 N HN 0.356 nan 8.380 nan 0.000 0.448 807 Y N -0.820 119.322 120.300 -0.264 0.000 2.712 807 Y HA 0.308 4.858 4.550 0.000 0.000 0.250 807 Y C -2.282 173.466 175.900 -0.253 0.000 1.101 807 Y CA -2.003 55.974 58.100 -0.204 0.000 1.118 807 Y CB 0.389 38.771 38.460 -0.130 0.000 1.203 807 Y HN -0.063 nan 8.280 nan 0.000 0.587 808 P HA 0.044 nan 4.420 nan 0.000 0.270 808 P C 0.738 178.001 177.300 -0.063 0.000 1.227 808 P CA 1.250 64.320 63.100 -0.051 0.000 0.788 808 P CB 1.413 33.042 31.700 -0.118 0.000 0.926 809 A N -0.696 122.128 122.820 0.006 0.000 2.861 809 A HA -0.165 4.155 4.320 0.000 0.000 0.261 809 A C 0.658 177.988 177.584 -0.423 0.000 1.351 809 A CA 1.794 53.731 52.037 -0.166 0.000 0.904 809 A CB -2.928 15.986 19.000 -0.143 0.000 1.076 809 A HN 0.893 nan 8.150 nan 0.000 0.729 810 T N -5.614 108.759 114.554 -0.303 0.000 2.858 810 T HA 0.671 5.021 4.350 0.000 0.000 0.285 810 T C 0.860 175.404 174.700 -0.259 0.000 1.052 810 T CA -0.090 61.810 62.100 -0.334 0.000 1.009 810 T CB 1.586 70.176 68.868 -0.463 0.000 1.241 810 T HN 0.673 nan 8.240 nan 0.000 0.542 811 V N 1.465 121.276 119.914 -0.171 0.000 2.649 811 V HA -0.068 4.052 4.120 0.000 0.000 0.248 811 V C 2.592 178.663 176.094 -0.038 0.000 1.054 811 V CA 1.626 63.855 62.300 -0.119 0.000 1.073 811 V CB -1.167 30.571 31.823 -0.142 0.000 0.699 811 V HN 1.025 nan 8.190 nan 0.000 0.463 812 H N -0.124 118.963 119.070 0.027 0.000 2.502 812 H HA 0.066 4.622 4.556 0.000 0.000 0.283 812 H C 2.186 177.497 175.328 -0.027 0.000 1.015 812 H CA 1.408 57.466 56.048 0.017 0.000 1.298 812 H CB -0.320 29.491 29.762 0.082 0.000 1.411 812 H HN 0.369 nan 8.280 nan 0.000 0.556 813 G N 0.881 109.442 108.800 -0.398 0.000 2.408 813 G HA2 -0.065 3.895 3.960 0.000 0.000 0.215 813 G HA3 -0.065 3.895 3.960 0.000 0.000 0.215 813 G C 1.980 176.826 174.900 -0.090 0.000 1.156 813 G CA 1.049 46.036 45.100 -0.188 0.000 0.793 813 G HN 0.594 nan 8.290 nan 0.000 0.535 814 A N 0.743 123.509 122.820 -0.091 0.000 1.877 814 A HA 0.051 4.371 4.320 0.000 0.000 0.216 814 A C 2.371 179.931 177.584 -0.041 0.000 1.186 814 A CA 1.513 53.524 52.037 -0.043 0.000 0.620 814 A CB -0.560 18.416 19.000 -0.039 0.000 0.822 814 A HN 0.425 nan 8.150 nan 0.000 0.443 815 L N -0.598 120.600 121.223 -0.041 0.000 2.083 815 L HA -0.108 4.233 4.340 0.000 0.000 0.209 815 L C 2.289 179.110 176.870 -0.081 0.000 1.083 815 L CA 1.271 56.088 54.840 -0.038 0.000 0.752 815 L CB -0.169 41.890 42.059 -0.000 0.000 0.899 815 L HN 0.414 nan 8.230 nan 0.000 0.433 816 L N -0.725 120.441 121.223 -0.094 0.000 2.109 816 L HA -0.144 4.197 4.340 0.000 0.000 0.207 816 L C 2.835 179.655 176.870 -0.083 0.000 1.086 816 L CA 1.196 55.958 54.840 -0.130 0.000 0.760 816 L CB -0.604 41.367 42.059 -0.148 0.000 0.910 816 L HN 0.466 nan 8.230 nan 0.000 0.437 817 S N -0.094 115.576 115.700 -0.050 0.000 2.368 817 S HA -0.127 4.343 4.470 0.000 0.000 0.225 817 S C 2.097 176.680 174.600 -0.027 0.000 1.030 817 S CA 1.030 59.214 58.200 -0.027 0.000 0.999 817 S CB -1.076 62.111 63.200 -0.022 0.000 0.844 817 S HN 0.412 nan 8.310 nan 0.000 0.459 818 G N 2.193 110.970 108.800 -0.039 0.000 2.421 818 G HA2 -0.059 3.901 3.960 0.000 0.000 0.216 818 G HA3 -0.059 3.901 3.960 0.000 0.000 0.216 818 G C 1.490 176.355 174.900 -0.057 0.000 1.171 818 G CA 0.981 46.055 45.100 -0.043 0.000 0.775 818 G HN 0.513 nan 8.290 nan 0.000 0.543 819 L N -0.088 121.087 121.223 -0.080 0.000 2.131 819 L HA -0.042 4.298 4.340 0.000 0.000 0.210 819 L C 2.917 179.762 176.870 -0.041 0.000 1.092 819 L CA 1.154 55.940 54.840 -0.090 0.000 0.759 819 L CB -0.419 41.533 42.059 -0.178 0.000 0.903 819 L HN 0.218 nan 8.230 nan 0.000 0.435 820 R N 0.269 120.750 120.500 -0.031 0.000 2.073 820 R HA -0.159 4.181 4.340 0.000 0.000 0.234 820 R C 2.163 178.480 176.300 0.029 0.000 1.134 820 R CA 1.372 57.478 56.100 0.010 0.000 0.952 820 R CB 0.054 30.360 30.300 0.009 0.000 0.850 820 R HN 0.278 nan 8.270 nan 0.000 0.433 821 E N 0.435 120.642 120.200 0.012 0.000 2.072 821 E HA -0.087 4.264 4.350 0.000 0.000 0.190 821 E C 1.899 178.464 176.600 -0.059 0.000 0.982 821 E CA 1.110 57.507 56.400 -0.005 0.000 0.803 821 E CB -0.321 29.383 29.700 0.007 0.000 0.755 821 E HN 0.441 nan 8.360 nan 0.000 0.453 822 A N 1.218 124.013 122.820 -0.042 0.000 1.986 822 A HA -0.137 4.183 4.320 0.000 0.000 0.220 822 A C 2.412 180.062 177.584 0.109 0.000 1.171 822 A CA 2.051 54.076 52.037 -0.020 0.000 0.640 822 A CB -1.023 17.935 19.000 -0.071 0.000 0.811 822 A HN 0.335 nan 8.150 nan 0.000 0.451 823 G N -0.994 107.863 108.800 0.096 0.000 2.404 823 G HA2 -0.197 3.763 3.960 0.000 0.000 0.214 823 G HA3 -0.197 3.763 3.960 0.000 0.000 0.214 823 G C 1.722 176.624 174.900 0.003 0.000 1.189 823 G CA 0.816 45.959 45.100 0.072 0.000 0.789 823 G HN 0.512 nan 8.290 nan 0.000 0.533 824 R N 0.009 120.517 120.500 0.014 0.000 2.091 824 R HA -0.036 4.304 4.340 0.000 0.000 0.238 824 R C 2.563 178.829 176.300 -0.057 0.000 1.136 824 R CA 1.329 57.439 56.100 0.018 0.000 0.959 824 R CB -0.351 29.998 30.300 0.081 0.000 0.856 824 R HN 0.427 nan 8.270 nan 0.000 0.437 825 I N 0.328 120.777 120.570 -0.202 0.000 2.163 825 I HA -0.248 3.922 4.170 0.000 0.000 0.240 825 I C 2.577 178.720 176.117 0.044 0.000 1.081 825 I CA 1.294 62.434 61.300 -0.268 0.000 1.353 825 I CB -0.457 37.273 38.000 -0.451 0.000 1.054 825 I HN 0.267 nan 8.210 nan 0.000 0.407 826 A N 0.373 123.215 122.820 0.036 0.000 1.948 826 A HA -0.283 4.037 4.320 0.000 0.000 0.220 826 A C 1.876 179.441 177.584 -0.032 0.000 1.177 826 A CA 2.291 54.350 52.037 0.037 0.000 0.636 826 A CB -0.677 18.311 19.000 -0.021 0.000 0.815 826 A HN 0.381 nan 8.150 nan 0.000 0.449 827 D N -1.002 119.361 120.400 -0.061 0.000 2.219 827 D HA -0.097 4.543 4.640 0.000 0.000 0.205 827 D C 2.163 178.433 176.300 -0.051 0.000 0.970 827 D CA 0.936 54.892 54.000 -0.073 0.000 0.851 827 D CB -0.096 40.670 40.800 -0.056 0.000 0.943 827 D HN 0.377 nan 8.370 nan 0.000 0.488 828 Q N -0.870 118.909 119.800 -0.036 0.000 2.089 828 Q HA 0.042 4.382 4.340 0.000 0.000 0.195 828 Q C 1.829 177.649 176.000 -0.300 0.000 0.963 828 Q CA 0.671 56.371 55.803 -0.172 0.000 0.834 828 Q CB -0.188 28.415 28.738 -0.225 0.000 0.906 828 Q HN 0.366 nan 8.270 nan 0.000 0.452 829 F N 0.042 119.987 119.950 -0.008 0.000 2.743 829 F HA 0.072 4.599 4.527 0.000 0.000 0.297 829 F C 2.000 177.790 175.800 -0.016 0.000 1.131 829 F CA 0.155 58.154 58.000 -0.001 0.000 1.426 829 F CB -0.022 38.978 39.000 0.000 0.000 1.116 829 F HN -0.037 nan 8.300 nan 0.000 0.583 830 L N -0.522 120.755 121.223 0.090 0.000 1.993 830 L HA -0.040 4.300 4.340 0.000 0.000 0.206 830 L C 2.737 179.609 176.870 0.004 0.000 1.074 830 L CA 1.671 56.528 54.840 0.029 0.000 0.746 830 L CB -1.401 40.635 42.059 -0.040 0.000 0.896 830 L HN 0.233 nan 8.230 nan 0.000 0.435 831 G N -0.571 108.214 108.800 -0.026 0.000 2.402 831 G HA2 0.035 3.995 3.960 0.000 0.000 0.216 831 G HA3 0.035 3.995 3.960 0.000 0.000 0.216 831 G C 0.654 175.540 174.900 -0.024 0.000 1.162 831 G CA 0.744 45.825 45.100 -0.031 0.000 0.777 831 G HN 0.456 nan 8.290 nan 0.000 0.539 832 A N 0.000 122.796 122.820 -0.040 0.000 2.254 832 A HA 0.000 4.320 4.320 0.000 0.000 0.244 832 A CA 0.000 52.013 52.037 -0.041 0.000 0.836 832 A CB 0.000 18.956 19.000 -0.074 0.000 0.831 832 A HN 0.000 nan 8.150 nan 0.000 0.486