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 3k1q_1_B DATA FIRST_RESID 188 DATA SEQUENCE ANGPELIIED TGLCTSFMLL DNIPSAHLTK ELIGFTWFMQ MYQMTPPLPE DATA SEQUENCE GAVNRIVCMT NWASLGDEGR GLEVRLPPPT DSSVHAYKTV LSRGYIDNAQ DATA SEQUENCE FNPLALRSNV LLMLLQFTLS NLKINKSSTF TSDVTTITSG RMIRAFEGRP DATA SEQUENCE ELLALAYPGR AVLPTQTKNA QFLSTAIADR IGRLDRANLI GGEVSAMVEC DATA SEQUENCE MELCDALTLH IRETYIMLLR SMHQDPTQIV QIVNECANNL LNSTIPISLR DATA SEQUENCE PTILCPWFAS SEDLRLQEVM HLVNISSNTA AALPLVEALS TLLRSVTPLV DATA SEQUENCE LDPTVLTNAI TTISESTTQT ISPISEILRL LQPMGNDYAA FWKCIASWAY DATA SEQUENCE NGLVTTVLSE DAFPDSSQSI THLPSMWKCL FLTLAGPMTS DPHSPVKVFM DATA SEQUENCE ALANLLAQPE PIAIGVPGMH QTTPASQFSH PGVWPPGFLN PQLINPQQAP DATA SEQUENCE LLRAFAEHIR ANWPQPSEFG YGSTLQGSAN LFIPSNRMVY PWPNQPLPRL DATA SEQUENCE TVAPTYDSAM SNWISTTIAF FIRVVNSVNM TATVNDLTRR TMTGVMTAMR DATA SEQUENCE QVKTMTPFYI QHMCPTELSV LASVTVTPPF QVPFTRLVQN DVITNVLVAR DATA SEQUENCE VDPAQRGDAA VDIRATHATF AAALPVDPAA IVVAMLCGQT ETNLIPSHHY DATA SEQUENCE GKAFAPLFAS NAMFTRNQRA VITREAFVCA RSAVAQCQDA GFLVPRPLDA DATA SEQUENCE LRQFDVTSAA AAEIMHAVND AFKTAFDLDG ALLDGLALYG DPRIADLSAA DATA SEQUENCE YLQYGGNVVR EHVPPGPSHI HRALQQVEST FMAEMNLFNV ARGNLYLVQT DATA SEQUENCE ATNGNWSPMA PVAAPPFVRG GPNVRVVGRF GTIVPRPNGL EPQLIDDGNV DATA SEQUENCE PRDIAGDWVY PSDVLQVSVA VFRDYVWPMV KAGRTRVLVE LGHYVYTLHY DATA SEQUENCE YDPQISLDEA PILEEWLSKI NPAGIPPVPF CIPIPQVYPC ITARRVHYAF DATA SEQUENCE TSENNNDSLF STNAASIDTA FGENAAVSPL RWPGLVDPNY RVGTNDLPNR DATA SEQUENCE ITLYNSLYRY NFTYPTLDGI MYVRSAT 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 188 A HA 0.000 nan 4.320 nan 0.000 0.244 188 A C 0.000 177.604 177.584 0.033 0.000 1.274 188 A CA 0.000 52.052 52.037 0.026 0.000 0.836 188 A CB 0.000 19.015 19.000 0.024 0.000 0.831 189 N N 1.941 120.664 118.700 0.038 0.000 2.921 189 N HA 0.217 4.957 4.740 0.000 0.000 0.325 189 N C 0.912 176.458 175.510 0.059 0.000 1.194 189 N CA 0.766 53.844 53.050 0.048 0.000 1.184 189 N CB 0.226 38.743 38.487 0.049 0.000 1.433 189 N HN 0.897 nan 8.380 nan 0.000 0.539 190 G N 1.794 110.629 108.800 0.058 0.000 2.414 190 G HA2 0.094 4.054 3.960 0.000 0.000 0.236 190 G HA3 0.094 4.054 3.960 0.000 0.000 0.236 190 G C -2.259 172.697 174.900 0.093 0.000 1.293 190 G CA -0.870 44.273 45.100 0.072 0.000 0.869 190 G HN 0.296 nan 8.290 nan 0.000 0.556 191 P HA 0.102 nan 4.420 nan 0.000 0.268 191 P C 0.029 177.444 177.300 0.192 0.000 1.205 191 P CA -0.124 63.082 63.100 0.176 0.000 0.771 191 P CB 0.806 32.605 31.700 0.165 0.000 0.858 192 E N 2.468 122.830 120.200 0.271 0.000 2.110 192 E HA 0.054 4.404 4.350 0.000 0.000 0.300 192 E C 0.660 177.454 176.600 0.324 0.000 1.278 192 E CA -0.191 56.319 56.400 0.183 0.000 1.365 192 E CB -0.080 29.633 29.700 0.021 0.000 1.283 192 E HN 0.320 nan 8.360 nan 0.000 0.490 193 L N 1.962 123.386 121.223 0.335 0.000 2.044 193 L HA -0.088 4.252 4.340 0.000 0.000 0.205 193 L C 1.441 178.512 176.870 0.334 0.000 1.075 193 L CA 1.064 56.156 54.840 0.420 0.000 0.747 193 L CB -0.184 42.050 42.059 0.291 0.000 0.903 193 L HN 0.444 nan 8.230 nan 0.000 0.435 194 I N 0.184 120.853 120.570 0.165 0.000 2.243 194 I HA 0.207 4.377 4.170 0.000 0.000 0.297 194 I C -0.677 175.489 176.117 0.081 0.000 1.161 194 I CA 0.122 61.506 61.300 0.140 0.000 1.298 194 I CB -0.597 37.453 38.000 0.084 0.000 1.475 194 I HN -0.135 nan 8.210 nan 0.000 0.561 195 I N 4.715 125.349 120.570 0.107 0.000 2.378 195 I HA 0.466 4.636 4.170 0.000 0.000 0.291 195 I C -0.030 176.100 176.117 0.021 0.000 0.992 195 I CA -0.561 60.733 61.300 -0.011 0.000 1.154 195 I CB 1.441 39.354 38.000 -0.145 0.000 1.315 195 I HN 0.464 nan 8.210 nan 0.000 0.448 196 E N 3.809 124.016 120.200 0.012 0.000 2.158 196 E HA 0.297 4.647 4.350 0.000 0.000 0.271 196 E C -0.946 175.661 176.600 0.011 0.000 0.911 196 E CA -0.374 56.052 56.400 0.044 0.000 0.767 196 E CB 1.620 31.359 29.700 0.066 0.000 1.120 196 E HN 0.392 nan 8.360 nan 0.000 0.405 197 D N 2.836 123.252 120.400 0.025 0.000 2.303 197 D HA 0.239 4.879 4.640 0.000 0.000 0.236 197 D C -0.851 175.476 176.300 0.044 0.000 1.068 197 D CA -0.289 53.717 54.000 0.011 0.000 0.830 197 D CB 1.008 41.801 40.800 -0.011 0.000 1.109 197 D HN 0.487 nan 8.370 nan 0.000 0.496 198 T N -0.022 114.553 114.554 0.035 0.000 2.950 198 T HA 0.757 5.107 4.350 0.000 0.000 0.288 198 T C 0.835 175.574 174.700 0.065 0.000 1.035 198 T CA 0.067 62.204 62.100 0.061 0.000 1.028 198 T CB 2.183 71.093 68.868 0.070 0.000 1.109 198 T HN 0.560 nan 8.240 nan 0.000 0.514 199 G N 0.939 109.832 108.800 0.156 0.000 2.601 199 G HA2 -0.037 3.923 3.960 0.000 0.000 0.233 199 G HA3 -0.037 3.923 3.960 0.000 0.000 0.233 199 G C -1.058 173.935 174.900 0.156 0.000 1.896 199 G CA -0.318 44.895 45.100 0.189 0.000 1.514 199 G HN 0.939 nan 8.290 nan 0.000 0.512 200 L N 0.093 121.297 121.223 -0.032 0.000 2.493 200 L HA 0.510 4.850 4.340 0.000 0.000 0.265 200 L C -0.218 176.617 176.870 -0.060 0.000 0.954 200 L CA -0.817 53.988 54.840 -0.058 0.000 0.844 200 L CB 2.473 44.440 42.059 -0.153 0.000 1.302 200 L HN 0.701 nan 8.230 nan 0.000 0.405 201 C N 2.464 121.762 119.300 -0.004 0.000 2.400 201 C HA 0.520 4.980 4.460 0.000 0.000 0.457 201 C C 0.440 175.469 174.990 0.066 0.000 1.020 201 C CA 0.178 59.210 59.018 0.023 0.000 1.258 201 C CB -1.254 26.518 27.740 0.053 0.000 1.532 201 C HN 0.748 nan 8.230 nan 0.000 0.537 202 T N 2.475 117.074 114.554 0.075 0.000 3.483 202 T HA 0.275 4.625 4.350 0.000 0.000 0.329 202 T C 0.323 175.230 174.700 0.346 0.000 1.014 202 T CA -0.245 61.999 62.100 0.240 0.000 1.056 202 T CB 1.050 70.145 68.868 0.378 0.000 1.090 202 T HN 0.427 nan 8.240 nan 0.000 0.460 203 S N 3.739 119.634 115.700 0.325 0.000 2.582 203 S HA 0.412 4.882 4.470 0.000 0.000 0.234 203 S C -0.508 174.138 174.600 0.078 0.000 0.961 203 S CA -0.228 58.116 58.200 0.241 0.000 0.953 203 S CB -0.157 63.054 63.200 0.018 0.000 0.800 203 S HN 0.598 nan 8.310 nan 0.000 0.471 204 F N 0.915 120.971 119.950 0.176 0.000 2.565 204 F HA 0.546 5.073 4.527 0.000 0.000 0.313 204 F C -0.192 175.213 175.800 -0.658 0.000 1.091 204 F CA -0.982 56.898 58.000 -0.201 0.000 0.915 204 F CB 1.516 40.406 39.000 -0.184 0.000 1.208 204 F HN -0.043 nan 8.300 nan 0.000 0.453 205 M N 4.148 123.272 119.600 -0.794 0.000 2.227 205 M HA 0.508 4.988 4.480 0.000 0.000 0.335 205 M C -1.654 174.236 176.300 -0.684 0.000 1.053 205 M CA -0.863 53.616 55.300 -1.369 0.000 0.973 205 M CB 1.115 32.836 32.600 -1.466 0.000 1.623 205 M HN 0.556 nan 8.290 nan 0.000 0.434 206 L N 6.035 126.862 121.223 -0.659 0.000 2.385 206 L HA 0.300 4.640 4.340 0.000 0.000 0.281 206 L C -0.841 175.844 176.870 -0.307 0.000 1.106 206 L CA 0.005 54.505 54.840 -0.567 0.000 0.856 206 L CB 0.508 42.212 42.059 -0.591 0.000 1.186 206 L HN 0.567 nan 8.230 nan 0.000 0.453 207 L N 3.581 124.726 121.223 -0.130 0.000 2.381 207 L HA 0.498 4.838 4.340 0.000 0.000 0.274 207 L C -0.570 176.399 176.870 0.165 0.000 0.988 207 L CA -0.323 54.532 54.840 0.025 0.000 0.824 207 L CB 1.660 43.684 42.059 -0.057 0.000 1.263 207 L HN 0.359 nan 8.230 nan 0.000 0.410 208 D N 2.588 123.075 120.400 0.144 0.000 2.348 208 D HA 0.065 4.705 4.640 0.000 0.000 0.253 208 D C 0.273 176.602 176.300 0.048 0.000 1.161 208 D CA 0.435 54.498 54.000 0.105 0.000 0.876 208 D CB 1.305 42.166 40.800 0.102 0.000 1.160 208 D HN 0.711 nan 8.370 nan 0.000 0.459 209 N N 2.422 121.123 118.700 0.001 0.000 2.388 209 N HA 0.131 4.871 4.740 0.000 0.000 0.176 209 N C -0.532 174.947 175.510 -0.051 0.000 1.062 209 N CA 0.027 53.055 53.050 -0.037 0.000 0.895 209 N CB 0.323 38.745 38.487 -0.108 0.000 1.018 209 N HN 0.393 nan 8.380 nan 0.000 0.456 210 I N 1.129 121.666 120.570 -0.056 0.000 2.608 210 I HA 0.307 4.477 4.170 0.000 0.000 0.280 210 I C -2.663 173.467 176.117 0.020 0.000 1.186 210 I CA -2.197 59.093 61.300 -0.017 0.000 1.081 210 I CB 1.669 39.652 38.000 -0.027 0.000 1.272 210 I HN -0.082 nan 8.210 nan 0.000 0.460 211 P HA 0.206 nan 4.420 nan 0.000 0.274 211 P C -0.815 176.551 177.300 0.110 0.000 1.246 211 P CA -0.364 62.798 63.100 0.104 0.000 0.795 211 P CB 1.231 33.013 31.700 0.136 0.000 1.006 212 S N 0.163 115.941 115.700 0.130 0.000 2.566 212 S HA 0.571 5.041 4.470 0.000 0.000 0.324 212 S C -0.293 174.298 174.600 -0.014 0.000 1.081 212 S CA -0.722 57.518 58.200 0.066 0.000 1.105 212 S CB -0.363 62.856 63.200 0.031 0.000 0.981 212 S HN 0.552 nan 8.310 nan 0.000 0.464 213 A N 4.208 126.980 122.820 -0.080 0.000 2.444 213 A HA 0.359 4.679 4.320 0.000 0.000 0.273 213 A C 0.327 177.668 177.584 -0.405 0.000 1.136 213 A CA 0.056 51.918 52.037 -0.292 0.000 0.799 213 A CB -0.722 18.215 19.000 -0.105 0.000 1.081 213 A HN 1.314 nan 8.150 nan 0.000 0.509 214 H N 0.575 119.119 119.070 -0.877 0.000 1.936 214 H HA -0.099 4.457 4.556 0.000 0.000 0.296 214 H C -0.999 174.090 175.328 -0.399 0.000 0.769 214 H CA 1.224 56.882 56.048 -0.651 0.000 0.988 214 H CB -0.547 28.915 29.762 -0.500 0.000 1.492 214 H HN 0.680 nan 8.280 nan 0.000 0.256 215 L N 5.437 126.253 121.223 -0.679 0.000 2.427 215 L HA 0.472 4.812 4.340 0.000 0.000 0.264 215 L C -0.155 176.354 176.870 -0.601 0.000 0.989 215 L CA 0.342 54.846 54.840 -0.561 0.000 0.865 215 L CB 1.305 43.200 42.059 -0.274 0.000 1.209 215 L HN 0.740 nan 8.230 nan 0.000 0.430 216 T N -0.124 114.011 114.554 -0.698 0.000 2.870 216 T HA 0.382 4.732 4.350 0.000 0.000 0.277 216 T C 0.961 175.251 174.700 -0.684 0.000 1.000 216 T CA -0.268 61.418 62.100 -0.690 0.000 0.982 216 T CB 1.367 69.848 68.868 -0.644 0.000 1.249 216 T HN 0.554 nan 8.240 nan 0.000 0.589 217 K N 0.371 120.582 120.400 -0.315 0.000 1.991 217 K HA -0.129 4.191 4.320 0.000 0.000 0.212 217 K C 1.303 177.871 176.600 -0.053 0.000 1.049 217 K CA 1.748 58.063 56.287 0.048 0.000 0.932 217 K CB -0.307 32.217 32.500 0.041 0.000 0.717 217 K HN 0.724 nan 8.250 nan 0.000 0.441 218 E N 0.595 120.725 120.200 -0.117 0.000 2.379 218 E HA -0.021 4.329 4.350 0.000 0.000 0.209 218 E C 0.102 176.622 176.600 -0.134 0.000 1.284 218 E CA -0.181 56.159 56.400 -0.100 0.000 1.333 218 E CB 0.203 29.855 29.700 -0.079 0.000 1.307 218 E HN 0.181 nan 8.360 nan 0.000 0.441 219 L N -0.389 120.719 121.223 -0.191 0.000 2.969 219 L HA 0.416 4.756 4.340 0.000 0.000 0.197 219 L C -1.540 175.147 176.870 -0.305 0.000 1.540 219 L CA -0.148 54.550 54.840 -0.236 0.000 1.275 219 L CB 0.858 42.746 42.059 -0.286 0.000 1.787 219 L HN 0.112 nan 8.230 nan 0.000 0.541 220 I N -2.426 117.866 120.570 -0.465 0.000 2.109 220 I HA 0.506 4.676 4.170 0.000 0.000 0.318 220 I C -0.760 174.988 176.117 -0.616 0.000 2.572 220 I CA -0.450 60.529 61.300 -0.534 0.000 0.937 220 I CB 0.896 38.555 38.000 -0.567 0.000 1.930 220 I HN 0.497 nan 8.210 nan 0.000 0.674 221 G N 2.365 110.846 108.800 -0.531 0.000 2.571 221 G HA2 0.502 4.462 3.960 0.000 0.000 0.327 221 G HA3 0.502 4.462 3.960 0.000 0.000 0.327 221 G C 0.003 174.815 174.900 -0.146 0.000 1.008 221 G CA -0.424 44.475 45.100 -0.335 0.000 1.136 221 G HN 0.644 nan 8.290 nan 0.000 0.444 222 F N 1.521 121.493 119.950 0.036 0.000 2.225 222 F HA -0.235 4.292 4.527 0.000 0.000 0.302 222 F C 3.148 179.159 175.800 0.352 0.000 1.068 222 F CA 1.803 59.943 58.000 0.232 0.000 1.327 222 F CB -0.214 38.929 39.000 0.238 0.000 1.043 222 F HN 0.529 nan 8.300 nan 0.000 0.506 223 T N -2.585 112.217 114.554 0.414 0.000 2.737 223 T HA -0.354 3.996 4.350 0.000 0.000 0.269 223 T C 1.843 176.775 174.700 0.387 0.000 1.040 223 T CA 1.390 63.694 62.100 0.340 0.000 1.142 223 T CB -1.171 67.853 68.868 0.261 0.000 0.861 223 T HN 0.633 nan 8.240 nan 0.000 0.456 224 W N 0.734 122.047 121.300 0.021 0.000 2.392 224 W HA -0.073 4.587 4.660 0.000 0.000 0.279 224 W C 1.133 177.623 176.519 -0.049 0.000 1.225 224 W CA 0.039 57.342 57.345 -0.071 0.000 1.233 224 W CB -0.247 29.103 29.460 -0.183 0.000 1.122 224 W HN 0.222 nan 8.180 nan 0.000 0.561 225 F N 0.621 120.645 119.950 0.124 0.000 2.323 225 F HA -0.319 4.208 4.527 0.000 0.000 0.301 225 F C 2.244 177.630 175.800 -0.690 0.000 1.060 225 F CA 1.520 59.451 58.000 -0.115 0.000 1.398 225 F CB -1.010 38.080 39.000 0.149 0.000 1.075 225 F HN -0.137 nan 8.300 nan 0.000 0.540 226 M N -0.400 119.038 119.600 -0.270 0.000 2.255 226 M HA -0.329 4.151 4.480 0.000 0.000 0.260 226 M C 2.196 178.157 176.300 -0.566 0.000 1.069 226 M CA 2.029 57.109 55.300 -0.366 0.000 1.089 226 M CB -0.923 31.616 32.600 -0.101 0.000 1.269 226 M HN -0.056 nan 8.290 nan 0.000 0.434 227 Q N -0.066 119.464 119.800 -0.450 0.000 2.170 227 Q HA -0.057 4.283 4.340 0.000 0.000 0.203 227 Q C 1.984 177.768 176.000 -0.359 0.000 0.976 227 Q CA 1.582 57.154 55.803 -0.386 0.000 0.858 227 Q CB -0.595 27.881 28.738 -0.436 0.000 0.907 227 Q HN 0.553 nan 8.270 nan 0.000 0.433 228 M N -0.576 118.775 119.600 -0.414 0.000 2.143 228 M HA -0.199 4.281 4.480 0.000 0.000 0.258 228 M C 0.892 177.128 176.300 -0.107 0.000 1.071 228 M CA 1.619 56.792 55.300 -0.212 0.000 1.088 228 M CB -0.489 32.112 32.600 0.002 0.000 1.360 228 M HN 0.347 nan 8.290 nan 0.000 0.404 229 Y N -1.722 118.620 120.300 0.069 0.000 2.571 229 Y HA 0.513 5.063 4.550 0.000 0.000 0.275 229 Y C 0.789 176.700 175.900 0.019 0.000 1.179 229 Y CA -0.693 57.432 58.100 0.041 0.000 1.242 229 Y CB -0.790 37.687 38.460 0.029 0.000 1.126 229 Y HN 0.171 nan 8.280 nan 0.000 0.524 230 Q N -1.144 118.700 119.800 0.073 0.000 2.087 230 Q HA -0.330 4.010 4.340 0.000 0.000 0.153 230 Q C 0.559 176.621 176.000 0.102 0.000 0.706 230 Q CA 2.064 57.898 55.803 0.051 0.000 1.467 230 Q CB -1.375 27.395 28.738 0.053 0.000 1.557 230 Q HN 0.829 nan 8.270 nan 0.000 0.862 231 M N 1.417 121.170 119.600 0.255 0.000 2.252 231 M HA 0.086 4.566 4.480 0.000 0.000 0.333 231 M C -0.220 176.206 176.300 0.210 0.000 1.111 231 M CA 1.113 56.556 55.300 0.238 0.000 1.140 231 M CB 0.648 33.424 32.600 0.294 0.000 1.538 231 M HN 0.270 nan 8.290 nan 0.000 0.448 232 T N 3.371 118.007 114.554 0.138 0.000 2.738 232 T HA 0.559 4.909 4.350 0.000 0.000 0.298 232 T C -2.531 172.248 174.700 0.133 0.000 0.962 232 T CA -1.714 60.453 62.100 0.111 0.000 0.972 232 T CB 0.180 69.089 68.868 0.068 0.000 0.928 232 T HN 0.451 nan 8.240 nan 0.000 0.474 233 P HA 0.190 nan 4.420 nan 0.000 0.265 233 P C -1.792 175.582 177.300 0.123 0.000 1.193 233 P CA -1.202 61.988 63.100 0.149 0.000 0.765 233 P CB 0.179 31.980 31.700 0.167 0.000 0.823 234 P HA -0.037 nan 4.420 nan 0.000 0.221 234 P C -0.245 177.132 177.300 0.128 0.000 1.150 234 P CA 1.145 64.314 63.100 0.115 0.000 0.800 234 P CB 0.154 31.917 31.700 0.105 0.000 0.787 235 L N -0.452 120.854 121.223 0.139 0.000 2.334 235 L HA 0.415 4.755 4.340 0.000 0.000 0.275 235 L C -2.319 174.677 176.870 0.210 0.000 1.036 235 L CA -2.304 52.645 54.840 0.183 0.000 0.807 235 L CB 0.064 42.235 42.059 0.187 0.000 1.231 235 L HN -0.301 nan 8.230 nan 0.000 0.438 236 P HA 0.089 nan 4.420 nan 0.000 0.263 236 P C -0.897 176.512 177.300 0.181 0.000 1.247 236 P CA 0.086 63.348 63.100 0.269 0.000 0.876 236 P CB 0.094 32.024 31.700 0.383 0.000 0.928 237 E N 2.653 122.937 120.200 0.140 0.000 2.400 237 E HA 0.457 4.807 4.350 0.000 0.000 0.232 237 E C 0.461 177.129 176.600 0.113 0.000 0.988 237 E CA -0.417 56.050 56.400 0.113 0.000 0.823 237 E CB 0.931 30.717 29.700 0.143 0.000 1.246 237 E HN 0.485 nan 8.360 nan 0.000 0.441 238 G N 0.232 109.077 108.800 0.075 0.000 3.021 238 G HA2 0.471 4.431 3.960 0.000 0.000 0.290 238 G HA3 0.471 4.431 3.960 0.000 0.000 0.290 238 G C 0.492 175.409 174.900 0.028 0.000 1.291 238 G CA 0.034 45.178 45.100 0.073 0.000 0.834 238 G HN 0.323 nan 8.290 nan 0.000 0.564 239 A N -1.210 121.628 122.820 0.030 0.000 1.845 239 A HA 0.333 4.653 4.320 0.000 0.000 0.215 239 A C 0.861 178.418 177.584 -0.045 0.000 1.195 239 A CA 1.668 53.710 52.037 0.009 0.000 0.616 239 A CB -0.621 18.402 19.000 0.038 0.000 0.832 239 A HN 0.933 nan 8.150 nan 0.000 0.443 240 V N 1.924 121.782 119.914 -0.094 0.000 2.384 240 V HA 0.351 4.471 4.120 0.000 0.000 0.287 240 V C -1.079 174.935 176.094 -0.133 0.000 1.020 240 V CA -0.870 61.332 62.300 -0.164 0.000 0.850 240 V CB 1.137 32.734 31.823 -0.377 0.000 0.987 240 V HN 0.525 nan 8.190 nan 0.000 0.436 241 N N 4.783 123.406 118.700 -0.128 0.000 2.249 241 N HA 0.617 5.357 4.740 0.000 0.000 0.296 241 N C -0.877 174.656 175.510 0.039 0.000 1.051 241 N CA -0.873 52.152 53.050 -0.042 0.000 0.815 241 N CB 3.151 41.585 38.487 -0.088 0.000 1.487 241 N HN 0.489 nan 8.380 nan 0.000 0.475 242 R N 0.518 121.128 120.500 0.183 0.000 2.923 242 R HA 0.657 4.997 4.340 0.000 0.000 0.252 242 R C -0.370 176.048 176.300 0.197 0.000 1.130 242 R CA -0.834 55.385 56.100 0.199 0.000 1.043 242 R CB 1.919 32.279 30.300 0.099 0.000 1.205 242 R HN 0.619 nan 8.270 nan 0.000 0.495 243 I N -1.647 118.966 120.570 0.071 0.000 2.530 243 I HA 0.709 4.879 4.170 0.000 0.000 0.297 243 I C -0.880 175.209 176.117 -0.047 0.000 1.011 243 I CA -0.975 60.284 61.300 -0.068 0.000 1.107 243 I CB 2.044 39.935 38.000 -0.182 0.000 1.285 243 I HN 0.203 nan 8.210 nan 0.000 0.436 244 V N 4.962 124.844 119.914 -0.052 0.000 2.971 244 V HA 0.348 4.468 4.120 0.000 0.000 0.309 244 V C -0.813 175.248 176.094 -0.056 0.000 1.130 244 V CA -0.672 61.606 62.300 -0.037 0.000 0.964 244 V CB 2.075 33.851 31.823 -0.079 0.000 1.029 244 V HN 1.083 nan 8.190 nan 0.000 0.427 245 C N 8.155 127.363 119.300 -0.152 0.000 2.383 245 C HA 0.639 5.099 4.460 0.000 0.000 0.350 245 C C 0.036 174.847 174.990 -0.297 0.000 1.173 245 C CA -0.285 58.421 59.018 -0.519 0.000 1.645 245 C CB -1.696 25.690 27.740 -0.590 0.000 2.221 245 C HN 0.807 nan 8.230 nan 0.000 0.528 246 M N 5.939 125.374 119.600 -0.275 0.000 2.022 246 M HA 0.212 4.692 4.480 0.000 0.000 0.298 246 M C 0.128 176.497 176.300 0.116 0.000 0.909 246 M CA 0.147 55.412 55.300 -0.059 0.000 0.914 246 M CB 1.742 34.313 32.600 -0.048 0.000 1.486 246 M HN 0.528 nan 8.290 nan 0.000 0.415 247 T N 3.760 118.356 114.554 0.070 0.000 2.769 247 T HA 0.146 4.496 4.350 0.000 0.000 0.293 247 T C 0.757 175.477 174.700 0.033 0.000 0.931 247 T CA 0.025 62.145 62.100 0.032 0.000 1.139 247 T CB -0.051 68.809 68.868 -0.013 0.000 0.881 247 T HN 0.772 nan 8.240 nan 0.000 0.532 248 N N 1.121 119.833 118.700 0.020 0.000 2.828 248 N HA -0.162 4.578 4.740 0.000 0.000 0.248 248 N C 1.197 176.638 175.510 -0.114 0.000 1.044 248 N CA 1.077 54.089 53.050 -0.063 0.000 0.851 248 N CB -1.058 37.365 38.487 -0.108 0.000 1.136 248 N HN 0.940 nan 8.380 nan 0.000 0.572 249 W N 0.286 121.549 121.300 -0.063 0.000 2.313 249 W HA -0.063 4.597 4.660 0.000 0.000 0.293 249 W C 1.066 177.552 176.519 -0.054 0.000 1.216 249 W CA 1.451 58.765 57.345 -0.052 0.000 1.223 249 W CB -1.181 28.255 29.460 -0.041 0.000 1.138 249 W HN 0.276 nan 8.180 nan 0.000 0.535 250 A N 0.681 122.779 122.820 -1.203 0.000 2.713 250 A HA 0.325 4.645 4.320 0.000 0.000 0.296 250 A C 0.511 177.795 177.584 -0.500 0.000 1.255 250 A CA -0.014 51.432 52.037 -0.986 0.000 0.955 250 A CB -0.595 17.549 19.000 -1.427 0.000 1.149 250 A HN 0.084 nan 8.150 nan 0.000 0.538 251 S N 0.472 115.961 115.700 -0.351 0.000 2.416 251 S HA 0.331 4.801 4.470 0.000 0.000 0.302 251 S C -0.063 174.433 174.600 -0.174 0.000 1.120 251 S CA -0.246 57.829 58.200 -0.208 0.000 1.067 251 S CB -0.177 62.931 63.200 -0.153 0.000 1.057 251 S HN 0.532 nan 8.310 nan 0.000 0.518 252 L N 6.586 127.724 121.223 -0.143 0.000 2.956 252 L HA 0.599 4.939 4.340 0.000 0.000 0.232 252 L C 0.387 177.231 176.870 -0.042 0.000 1.291 252 L CA 0.029 54.801 54.840 -0.112 0.000 1.122 252 L CB -0.027 41.929 42.059 -0.172 0.000 1.461 252 L HN 0.671 nan 8.230 nan 0.000 0.470 253 G N -0.658 108.112 108.800 -0.050 0.000 2.448 253 G HA2 0.247 4.207 3.960 0.000 0.000 0.324 253 G HA3 0.247 4.207 3.960 0.000 0.000 0.324 253 G C -0.070 174.810 174.900 -0.034 0.000 1.203 253 G CA -0.438 44.645 45.100 -0.029 0.000 0.954 253 G HN 0.283 nan 8.290 nan 0.000 0.480 254 D N 0.354 120.742 120.400 -0.020 0.000 2.363 254 D HA -0.008 4.632 4.640 0.000 0.000 0.226 254 D C -0.112 176.171 176.300 -0.028 0.000 1.020 254 D CA 0.814 54.800 54.000 -0.022 0.000 0.892 254 D CB 0.740 41.533 40.800 -0.011 0.000 0.900 254 D HN 0.391 nan 8.370 nan 0.000 0.531 255 E N 0.222 120.401 120.200 -0.035 0.000 2.113 255 E HA 0.472 4.822 4.350 0.000 0.000 0.273 255 E C 0.125 176.688 176.600 -0.062 0.000 0.924 255 E CA -0.411 55.962 56.400 -0.045 0.000 0.764 255 E CB 1.857 31.530 29.700 -0.044 0.000 1.104 255 E HN -0.039 nan 8.360 nan 0.000 0.406 256 G N 2.296 111.059 108.800 -0.063 0.000 2.415 256 G HA2 0.192 4.152 3.960 0.000 0.000 0.317 256 G HA3 0.192 4.152 3.960 0.000 0.000 0.317 256 G C 0.278 175.126 174.900 -0.086 0.000 1.152 256 G CA -0.560 44.498 45.100 -0.072 0.000 0.956 256 G HN 0.467 nan 8.290 nan 0.000 0.458 257 R N 2.267 122.701 120.500 -0.109 0.000 2.200 257 R HA 0.118 4.458 4.340 0.000 0.000 0.208 257 R C 1.900 178.133 176.300 -0.113 0.000 1.033 257 R CA 0.951 56.971 56.100 -0.134 0.000 1.000 257 R CB 0.043 30.234 30.300 -0.182 0.000 0.906 257 R HN 0.938 nan 8.270 nan 0.000 0.462 258 G N 0.744 109.489 108.800 -0.090 0.000 2.203 258 G HA2 -0.199 3.761 3.960 0.000 0.000 0.263 258 G HA3 -0.199 3.761 3.960 0.000 0.000 0.263 258 G C 0.090 174.954 174.900 -0.061 0.000 1.012 258 G CA 0.149 45.209 45.100 -0.067 0.000 0.749 258 G HN 0.219 nan 8.290 nan 0.000 0.512 259 L N 0.159 121.335 121.223 -0.078 0.000 3.154 259 L HA 0.418 4.758 4.340 0.000 0.000 0.266 259 L C 0.609 177.444 176.870 -0.057 0.000 1.300 259 L CA -0.357 54.443 54.840 -0.066 0.000 1.028 259 L CB 0.158 42.169 42.059 -0.081 0.000 1.412 259 L HN 0.162 nan 8.230 nan 0.000 0.564 260 E N 0.130 120.301 120.200 -0.048 0.000 2.366 260 E HA 0.237 4.587 4.350 0.000 0.000 0.266 260 E C -0.250 176.351 176.600 0.001 0.000 1.051 260 E CA 0.013 56.392 56.400 -0.036 0.000 0.884 260 E CB 1.708 31.387 29.700 -0.034 0.000 1.006 260 E HN -0.084 nan 8.360 nan 0.000 0.417 261 V N 5.341 125.273 119.914 0.030 0.000 2.318 261 V HA 0.321 4.441 4.120 0.000 0.000 0.271 261 V C -0.198 175.924 176.094 0.045 0.000 1.030 261 V CA -0.651 61.688 62.300 0.065 0.000 0.844 261 V CB 0.261 32.182 31.823 0.164 0.000 1.015 261 V HN 0.435 nan 8.190 nan 0.000 0.460 262 R N 4.666 125.183 120.500 0.029 0.000 2.343 262 R HA 0.626 4.966 4.340 0.000 0.000 0.320 262 R C -1.073 175.238 176.300 0.018 0.000 0.956 262 R CA -0.783 55.329 56.100 0.021 0.000 0.836 262 R CB 2.189 32.503 30.300 0.024 0.000 1.151 262 R HN 0.516 nan 8.270 nan 0.000 0.450 263 L N 4.881 126.101 121.223 -0.006 0.000 2.329 263 L HA 0.584 4.924 4.340 0.000 0.000 0.279 263 L C -2.346 174.524 176.870 -0.000 0.000 1.014 263 L CA -1.946 52.889 54.840 -0.009 0.000 0.814 263 L CB 1.884 43.926 42.059 -0.028 0.000 1.257 263 L HN 0.436 nan 8.230 nan 0.000 0.424 264 P HA 0.342 nan 4.420 nan 0.000 0.281 264 P C -2.823 174.481 177.300 0.007 0.000 1.249 264 P CA -1.825 61.290 63.100 0.025 0.000 0.810 264 P CB 0.139 31.874 31.700 0.058 0.000 1.008 265 P HA -0.017 nan 4.420 nan 0.000 0.263 265 P C -1.979 175.323 177.300 0.003 0.000 1.168 265 P CA -0.667 62.440 63.100 0.010 0.000 0.759 265 P CB -0.679 31.040 31.700 0.030 0.000 0.782 266 P HA -0.175 nan 4.420 nan 0.000 0.220 266 P C 1.415 178.702 177.300 -0.022 0.000 1.144 266 P CA 1.798 64.818 63.100 -0.134 0.000 0.800 266 P CB -0.576 31.015 31.700 -0.181 0.000 0.772 267 T N -3.209 111.405 114.554 0.101 0.000 2.778 267 T HA -0.123 4.227 4.350 0.000 0.000 0.269 267 T C 0.672 175.460 174.700 0.147 0.000 1.050 267 T CA 1.242 63.448 62.100 0.177 0.000 1.137 267 T CB -0.589 68.413 68.868 0.224 0.000 0.860 267 T HN 0.123 nan 8.240 nan 0.000 0.468 268 D N 1.047 121.507 120.400 0.101 0.000 2.342 268 D HA 0.405 5.045 4.640 0.000 0.000 0.243 268 D C -0.736 175.618 176.300 0.090 0.000 1.019 268 D CA -0.451 53.612 54.000 0.105 0.000 0.864 268 D CB 1.863 42.716 40.800 0.089 0.000 1.315 268 D HN 0.083 nan 8.370 nan 0.000 0.468 269 S N 0.358 116.130 115.700 0.119 0.000 2.429 269 S HA 0.081 4.551 4.470 0.000 0.000 0.292 269 S C 1.203 175.905 174.600 0.170 0.000 1.183 269 S CA -0.539 57.744 58.200 0.137 0.000 1.088 269 S CB 0.183 63.481 63.200 0.163 0.000 1.018 269 S HN 0.445 nan 8.310 nan 0.000 0.511 270 S N 2.163 117.941 115.700 0.130 0.000 2.634 270 S HA 0.024 4.494 4.470 0.000 0.000 0.221 270 S C 1.519 175.982 174.600 -0.228 0.000 0.952 270 S CA -0.095 58.123 58.200 0.029 0.000 0.930 270 S CB -0.227 62.971 63.200 -0.005 0.000 0.780 270 S HN 0.514 nan 8.310 nan 0.000 0.498 271 V N 3.650 123.596 119.914 0.053 0.000 2.311 271 V HA -0.414 3.706 4.120 0.000 0.000 0.259 271 V C 2.517 178.543 176.094 -0.114 0.000 1.086 271 V CA 2.956 65.315 62.300 0.098 0.000 1.078 271 V CB -1.044 30.933 31.823 0.257 0.000 0.668 271 V HN 0.960 nan 8.190 nan 0.000 0.452 272 H N 0.013 119.070 119.070 -0.022 0.000 2.423 272 H HA 0.155 4.711 4.556 0.000 0.000 0.297 272 H C 2.001 177.238 175.328 -0.151 0.000 1.075 272 H CA 1.710 57.734 56.048 -0.040 0.000 1.342 272 H CB -0.987 28.762 29.762 -0.023 0.000 1.395 272 H HN 0.435 nan 8.280 nan 0.000 0.530 273 A N 0.528 122.556 122.820 -1.321 0.000 2.019 273 A HA -0.110 4.210 4.320 0.000 0.000 0.219 273 A C 1.056 178.297 177.584 -0.572 0.000 1.164 273 A CA 1.180 52.672 52.037 -0.908 0.000 0.644 273 A CB -0.804 17.396 19.000 -1.333 0.000 0.805 273 A HN 0.689 nan 8.150 nan 0.000 0.449 274 Y N -0.929 119.241 120.300 -0.217 0.000 2.531 274 Y HA 0.226 4.776 4.550 0.000 0.000 0.249 274 Y C 1.529 177.405 175.900 -0.040 0.000 1.168 274 Y CA 0.251 58.250 58.100 -0.169 0.000 1.226 274 Y CB 0.371 38.619 38.460 -0.354 0.000 1.177 274 Y HN 0.428 nan 8.280 nan 0.000 0.527 275 K N -0.894 119.586 120.400 0.133 0.000 2.438 275 K HA 0.156 4.476 4.320 0.000 0.000 0.206 275 K C 1.046 177.735 176.600 0.148 0.000 1.081 275 K CA 0.719 57.127 56.287 0.201 0.000 1.053 275 K CB -0.236 32.416 32.500 0.253 0.000 0.908 275 K HN 0.112 nan 8.250 nan 0.000 0.556 276 T N -0.733 113.875 114.554 0.090 0.000 2.720 276 T HA -0.152 4.198 4.350 0.000 0.000 0.268 276 T C 1.939 176.689 174.700 0.084 0.000 1.037 276 T CA 1.287 63.431 62.100 0.074 0.000 1.144 276 T CB -0.480 68.413 68.868 0.041 0.000 0.864 276 T HN 0.051 nan 8.240 nan 0.000 0.444 277 V N -0.022 119.952 119.914 0.100 0.000 2.331 277 V HA 0.315 4.435 4.120 0.000 0.000 0.242 277 V C 2.071 178.236 176.094 0.119 0.000 1.034 277 V CA 1.311 63.674 62.300 0.105 0.000 1.027 277 V CB -0.039 31.847 31.823 0.105 0.000 0.667 277 V HN 0.498 nan 8.190 nan 0.000 0.457 278 L N -1.255 120.060 121.223 0.154 0.000 3.086 278 L HA 0.322 4.662 4.340 0.000 0.000 0.274 278 L C 1.450 178.436 176.870 0.193 0.000 1.184 278 L CA 0.284 55.221 54.840 0.160 0.000 1.002 278 L CB 0.807 42.992 42.059 0.210 0.000 1.383 278 L HN 0.167 nan 8.230 nan 0.000 0.582 279 S N -0.010 115.817 115.700 0.211 0.000 2.768 279 S HA 0.114 4.584 4.470 0.000 0.000 0.246 279 S C 1.654 176.257 174.600 0.004 0.000 1.006 279 S CA -0.184 58.191 58.200 0.291 0.000 1.075 279 S CB -0.301 63.110 63.200 0.352 0.000 0.786 279 S HN 0.281 nan 8.310 nan 0.000 0.468 280 R N 0.412 120.864 120.500 -0.080 0.000 2.097 280 R HA -0.108 4.232 4.340 0.000 0.000 0.236 280 R C 2.481 178.587 176.300 -0.324 0.000 1.135 280 R CA 1.569 57.579 56.100 -0.150 0.000 0.934 280 R CB -1.142 29.099 30.300 -0.099 0.000 0.846 280 R HN 0.468 nan 8.270 nan 0.000 0.431 281 G N 0.445 108.872 108.800 -0.622 0.000 2.527 281 G HA2 -0.207 3.753 3.960 0.000 0.000 0.219 281 G HA3 -0.207 3.753 3.960 0.000 0.000 0.219 281 G C 0.016 174.169 174.900 -1.246 0.000 1.117 281 G CA 0.577 45.102 45.100 -0.959 0.000 0.759 281 G HN 0.373 nan 8.290 nan 0.000 0.556 282 Y N 0.072 120.366 120.300 -0.010 0.000 2.748 282 Y HA 0.346 4.896 4.550 0.000 0.000 0.359 282 Y C 1.395 177.301 175.900 0.010 0.000 1.030 282 Y CA -1.247 56.847 58.100 -0.009 0.000 1.169 282 Y CB -0.051 38.401 38.460 -0.014 0.000 1.127 282 Y HN 0.120 nan 8.280 nan 0.000 0.644 283 I N -2.721 117.806 120.570 -0.072 0.000 2.657 283 I HA -0.148 4.022 4.170 0.000 0.000 0.261 283 I C 0.711 176.844 176.117 0.026 0.000 1.212 283 I CA 0.996 62.282 61.300 -0.024 0.000 1.453 283 I CB 0.230 38.206 38.000 -0.040 0.000 1.092 283 I HN 0.364 nan 8.210 nan 0.000 0.452 284 D N 2.530 122.958 120.400 0.047 0.000 2.359 284 D HA -0.016 4.624 4.640 0.000 0.000 0.250 284 D C 0.644 176.991 176.300 0.078 0.000 1.264 284 D CA 0.142 54.172 54.000 0.050 0.000 0.911 284 D CB 0.315 41.137 40.800 0.037 0.000 1.056 284 D HN 0.333 nan 8.370 nan 0.000 0.499 285 N N 2.507 121.253 118.700 0.076 0.000 2.202 285 N HA -0.305 4.435 4.740 0.000 0.000 0.197 285 N C 1.625 177.209 175.510 0.123 0.000 0.995 285 N CA 1.910 55.019 53.050 0.099 0.000 0.894 285 N CB 0.114 38.646 38.487 0.076 0.000 1.010 285 N HN 0.520 nan 8.380 nan 0.000 0.453 286 A N 0.340 123.221 122.820 0.102 0.000 1.929 286 A HA -0.081 4.239 4.320 0.000 0.000 0.216 286 A C 0.986 178.660 177.584 0.150 0.000 1.176 286 A CA 0.869 52.975 52.037 0.116 0.000 0.628 286 A CB -0.116 18.926 19.000 0.071 0.000 0.816 286 A HN 0.455 nan 8.150 nan 0.000 0.444 287 Q N -0.634 119.229 119.800 0.105 0.000 2.245 287 Q HA 0.599 4.939 4.340 0.000 0.000 0.256 287 Q C -0.559 175.515 176.000 0.123 0.000 0.942 287 Q CA -0.797 55.040 55.803 0.057 0.000 0.896 287 Q CB 0.936 29.632 28.738 -0.071 0.000 1.272 287 Q HN 0.519 nan 8.270 nan 0.000 0.442 288 F N -0.554 119.445 119.950 0.080 0.000 2.579 288 F HA 0.596 5.123 4.527 0.000 0.000 0.324 288 F C -0.506 175.318 175.800 0.039 0.000 1.058 288 F CA -1.390 56.668 58.000 0.097 0.000 0.944 288 F CB 1.494 40.573 39.000 0.132 0.000 1.245 288 F HN 0.594 nan 8.300 nan 0.000 0.477 289 N N 4.140 122.820 118.700 -0.033 0.000 2.406 289 N HA 0.207 4.947 4.740 0.000 0.000 0.251 289 N C -1.683 173.821 175.510 -0.010 0.000 1.069 289 N CA -2.128 50.802 53.050 -0.199 0.000 0.947 289 N CB 1.330 39.641 38.487 -0.293 0.000 1.111 289 N HN 0.503 nan 8.380 nan 0.000 0.497 290 P HA -0.149 nan 4.420 nan 0.000 0.216 290 P C 1.441 178.828 177.300 0.145 0.000 1.150 290 P CA 1.110 64.264 63.100 0.089 0.000 0.837 290 P CB 0.401 32.092 31.700 -0.014 0.000 0.786 291 L N -0.468 120.815 121.223 0.100 0.000 2.131 291 L HA -0.066 4.274 4.340 0.000 0.000 0.210 291 L C 2.696 179.739 176.870 0.287 0.000 1.092 291 L CA 1.426 56.376 54.840 0.184 0.000 0.759 291 L CB -1.225 40.987 42.059 0.256 0.000 0.903 291 L HN -0.070 nan 8.230 nan 0.000 0.435 292 A N -0.433 122.580 122.820 0.321 0.000 2.235 292 A HA -0.045 4.275 4.320 0.000 0.000 0.208 292 A C 2.125 179.844 177.584 0.225 0.000 1.172 292 A CA 0.505 52.758 52.037 0.361 0.000 0.786 292 A CB -0.349 18.848 19.000 0.329 0.000 0.804 292 A HN 0.282 nan 8.150 nan 0.000 0.479 293 L N -0.153 121.181 121.223 0.185 0.000 2.017 293 L HA -0.126 4.214 4.340 0.000 0.000 0.208 293 L C 2.469 179.354 176.870 0.024 0.000 1.073 293 L CA 2.047 56.958 54.840 0.117 0.000 0.745 293 L CB -0.474 41.672 42.059 0.144 0.000 0.894 293 L HN 0.457 nan 8.230 nan 0.000 0.432 294 R N -0.892 119.597 120.500 -0.017 0.000 2.081 294 R HA -0.164 4.176 4.340 0.000 0.000 0.235 294 R C 2.332 178.584 176.300 -0.080 0.000 1.131 294 R CA 1.689 57.741 56.100 -0.080 0.000 0.960 294 R CB -0.206 30.032 30.300 -0.103 0.000 0.856 294 R HN 0.640 nan 8.270 nan 0.000 0.436 295 S N 0.637 116.310 115.700 -0.045 0.000 2.354 295 S HA -0.184 4.286 4.470 0.000 0.000 0.219 295 S C 1.694 176.302 174.600 0.014 0.000 1.035 295 S CA 1.586 59.781 58.200 -0.008 0.000 1.037 295 S CB -0.912 62.317 63.200 0.049 0.000 0.956 295 S HN 0.403 nan 8.310 nan 0.000 0.428 296 N N 1.085 119.821 118.700 0.060 0.000 2.091 296 N HA -0.108 4.632 4.740 0.000 0.000 0.193 296 N C 1.560 177.081 175.510 0.018 0.000 1.021 296 N CA 1.471 54.559 53.050 0.062 0.000 0.862 296 N CB -0.507 38.048 38.487 0.112 0.000 1.018 296 N HN 0.273 nan 8.380 nan 0.000 0.429 297 V N 0.548 120.444 119.914 -0.030 0.000 2.407 297 V HA -0.192 3.928 4.120 0.000 0.000 0.248 297 V C 2.150 178.124 176.094 -0.200 0.000 1.055 297 V CA 1.231 63.455 62.300 -0.127 0.000 1.049 297 V CB -0.452 31.229 31.823 -0.237 0.000 0.662 297 V HN 0.387 nan 8.190 nan 0.000 0.455 298 L N -1.080 120.045 121.223 -0.162 0.000 2.083 298 L HA -0.174 4.166 4.340 0.000 0.000 0.209 298 L C 2.315 179.150 176.870 -0.060 0.000 1.083 298 L CA 1.288 56.046 54.840 -0.137 0.000 0.752 298 L CB -0.180 41.819 42.059 -0.101 0.000 0.899 298 L HN 0.312 nan 8.230 nan 0.000 0.433 299 L N -0.828 120.382 121.223 -0.021 0.000 2.093 299 L HA -0.219 4.121 4.340 0.000 0.000 0.208 299 L C 2.375 179.257 176.870 0.020 0.000 1.085 299 L CA 1.644 56.493 54.840 0.016 0.000 0.755 299 L CB -0.182 41.897 42.059 0.033 0.000 0.904 299 L HN 0.201 nan 8.230 nan 0.000 0.435 300 M N -1.401 118.201 119.600 0.004 0.000 2.086 300 M HA -0.249 4.231 4.480 0.000 0.000 0.261 300 M C 2.133 178.473 176.300 0.067 0.000 1.067 300 M CA 1.871 57.188 55.300 0.029 0.000 1.116 300 M CB -0.579 32.035 32.600 0.023 0.000 1.348 300 M HN 0.193 nan 8.290 nan 0.000 0.407 301 L N -0.190 121.028 121.223 -0.008 0.000 2.083 301 L HA -0.206 4.134 4.340 0.000 0.000 0.209 301 L C 2.550 179.489 176.870 0.116 0.000 1.083 301 L CA 0.666 55.518 54.840 0.019 0.000 0.752 301 L CB -0.858 41.116 42.059 -0.141 0.000 0.899 301 L HN 0.301 nan 8.230 nan 0.000 0.433 302 L N -0.003 121.256 121.223 0.060 0.000 1.970 302 L HA -0.274 4.066 4.340 0.000 0.000 0.212 302 L C 2.579 179.476 176.870 0.046 0.000 1.071 302 L CA 1.885 56.762 54.840 0.062 0.000 0.751 302 L CB -0.527 41.567 42.059 0.058 0.000 0.889 302 L HN 0.220 nan 8.230 nan 0.000 0.432 303 Q N -1.543 118.287 119.800 0.049 0.000 2.170 303 Q HA -0.223 4.117 4.340 0.000 0.000 0.203 303 Q C 2.117 178.149 176.000 0.053 0.000 0.976 303 Q CA 1.802 57.620 55.803 0.026 0.000 0.858 303 Q CB -0.374 28.383 28.738 0.032 0.000 0.907 303 Q HN 0.598 nan 8.270 nan 0.000 0.433 304 F N 1.200 121.134 119.950 -0.028 0.000 2.095 304 F HA -0.278 4.249 4.527 0.000 0.000 0.298 304 F C 2.029 177.811 175.800 -0.030 0.000 1.104 304 F CA 1.892 59.882 58.000 -0.017 0.000 1.232 304 F CB -0.388 38.630 39.000 0.030 0.000 0.987 304 F HN -0.036 nan 8.300 nan 0.000 0.475 305 T N 1.852 116.448 114.554 0.068 0.000 2.674 305 T HA -0.208 4.143 4.350 0.000 0.000 0.265 305 T C 2.139 176.755 174.700 -0.139 0.000 1.039 305 T CA 1.973 64.052 62.100 -0.035 0.000 1.150 305 T CB -0.738 68.178 68.868 0.080 0.000 0.864 305 T HN 0.270 nan 8.240 nan 0.000 0.427 306 L N 1.732 122.876 121.223 -0.131 0.000 2.046 306 L HA -0.081 4.259 4.340 0.000 0.000 0.208 306 L C 2.629 179.360 176.870 -0.231 0.000 1.077 306 L CA 1.481 56.211 54.840 -0.184 0.000 0.747 306 L CB -0.962 40.970 42.059 -0.212 0.000 0.896 306 L HN 0.360 nan 8.230 nan 0.000 0.432 307 S N -1.609 113.961 115.700 -0.218 0.000 2.720 307 S HA -0.034 4.436 4.470 0.000 0.000 0.222 307 S C 0.840 175.277 174.600 -0.271 0.000 0.958 307 S CA 0.272 58.333 58.200 -0.232 0.000 0.943 307 S CB -0.582 62.514 63.200 -0.174 0.000 0.779 307 S HN 0.454 nan 8.310 nan 0.000 0.526 308 N N 0.637 119.149 118.700 -0.313 0.000 2.282 308 N HA 0.348 5.088 4.740 0.000 0.000 0.240 308 N C -0.951 174.363 175.510 -0.326 0.000 1.182 308 N CA -0.142 52.717 53.050 -0.319 0.000 0.874 308 N CB 0.498 38.746 38.487 -0.398 0.000 1.126 308 N HN 0.342 nan 8.380 nan 0.000 0.516 309 L N 1.449 122.427 121.223 -0.409 0.000 2.358 309 L HA 0.370 4.710 4.340 0.000 0.000 0.274 309 L C -0.342 175.879 176.870 -1.083 0.000 1.136 309 L CA 0.052 54.465 54.840 -0.711 0.000 0.970 309 L CB -0.161 41.582 42.059 -0.526 0.000 1.314 309 L HN -0.082 nan 8.230 nan 0.000 0.427 310 K N 3.429 123.318 120.400 -0.852 0.000 2.553 310 K HA 0.457 4.777 4.320 0.000 0.000 0.250 310 K C -0.763 175.839 176.600 0.004 0.000 0.953 310 K CA -0.655 55.428 56.287 -0.340 0.000 0.800 310 K CB 2.879 35.270 32.500 -0.183 0.000 1.243 310 K HN 0.299 nan 8.250 nan 0.000 0.435 311 I N 2.967 123.653 120.570 0.193 0.000 2.460 311 I HA -0.017 4.153 4.170 0.000 0.000 0.297 311 I C -0.145 176.077 176.117 0.174 0.000 1.139 311 I CA -0.137 61.312 61.300 0.248 0.000 1.340 311 I CB -0.447 37.703 38.000 0.250 0.000 1.444 311 I HN 0.433 nan 8.210 nan 0.000 0.557 312 N N 6.628 125.442 118.700 0.191 0.000 2.396 312 N HA -0.027 4.713 4.740 0.000 0.000 0.287 312 N C -0.079 175.587 175.510 0.260 0.000 1.316 312 N CA 0.342 53.512 53.050 0.199 0.000 0.972 312 N CB 0.269 38.882 38.487 0.210 0.000 1.341 312 N HN 0.471 nan 8.380 nan 0.000 0.487 313 K N 1.454 121.972 120.400 0.196 0.000 2.156 313 K HA 0.221 4.541 4.320 0.000 0.000 0.271 313 K C -0.231 176.468 176.600 0.165 0.000 0.995 313 K CA -0.576 55.836 56.287 0.207 0.000 0.890 313 K CB 1.003 33.603 32.500 0.167 0.000 1.073 313 K HN 0.306 nan 8.250 nan 0.000 0.454 314 S N 1.991 117.795 115.700 0.173 0.000 2.533 314 S HA 0.017 4.487 4.470 0.000 0.000 0.282 314 S C 0.520 175.171 174.600 0.084 0.000 1.304 314 S CA -0.165 58.120 58.200 0.142 0.000 1.063 314 S CB 0.914 64.213 63.200 0.166 0.000 0.881 314 S HN 0.706 nan 8.310 nan 0.000 0.493 315 S N 3.328 119.035 115.700 0.011 0.000 2.646 315 S HA 0.409 4.879 4.470 0.000 0.000 0.192 315 S C 0.577 175.142 174.600 -0.059 0.000 1.218 315 S CA -0.054 58.115 58.200 -0.052 0.000 1.545 315 S CB 0.249 63.374 63.200 -0.126 0.000 0.737 315 S HN 0.832 nan 8.310 nan 0.000 0.467 316 T N 0.020 114.466 114.554 -0.179 0.000 2.949 316 T HA 0.658 5.008 4.350 0.000 0.000 0.287 316 T C -1.766 172.644 174.700 -0.483 0.000 1.034 316 T CA -0.469 61.532 62.100 -0.164 0.000 1.018 316 T CB 0.366 69.192 68.868 -0.071 0.000 1.135 316 T HN 0.308 nan 8.240 nan 0.000 0.532 317 F N 1.540 121.448 119.950 -0.069 0.000 2.518 317 F HA 0.477 5.004 4.527 0.000 0.000 0.323 317 F C 0.436 176.197 175.800 -0.065 0.000 1.129 317 F CA -0.645 57.309 58.000 -0.076 0.000 0.920 317 F CB 2.314 41.272 39.000 -0.070 0.000 1.160 317 F HN 0.505 nan 8.300 nan 0.000 0.440 318 T N -1.034 113.551 114.554 0.053 0.000 2.824 318 T HA 0.408 4.758 4.350 0.000 0.000 0.282 318 T C -0.183 174.542 174.700 0.042 0.000 0.993 318 T CA -1.013 61.103 62.100 0.028 0.000 0.967 318 T CB 1.394 70.244 68.868 -0.030 0.000 0.960 318 T HN 0.537 nan 8.240 nan 0.000 0.441 319 S N 2.145 117.860 115.700 0.025 0.000 3.024 319 S HA 0.100 4.571 4.470 0.000 0.000 0.316 319 S C -0.255 174.338 174.600 -0.011 0.000 1.197 319 S CA -0.748 57.456 58.200 0.006 0.000 1.097 319 S CB -0.623 62.579 63.200 0.004 0.000 1.471 319 S HN 0.685 nan 8.310 nan 0.000 0.543 320 D N 3.407 123.793 120.400 -0.024 0.000 2.470 320 D HA 0.125 4.765 4.640 0.000 0.000 0.226 320 D C 0.261 176.541 176.300 -0.033 0.000 1.196 320 D CA -0.018 53.960 54.000 -0.037 0.000 0.979 320 D CB 0.902 41.665 40.800 -0.061 0.000 1.059 320 D HN 0.597 nan 8.370 nan 0.000 0.515 321 V N 0.839 120.739 119.914 -0.024 0.000 2.304 321 V HA 0.647 4.767 4.120 0.000 0.000 0.269 321 V C 0.228 176.310 176.094 -0.020 0.000 1.036 321 V CA -0.332 61.955 62.300 -0.022 0.000 0.840 321 V CB 0.830 32.642 31.823 -0.017 0.000 1.036 321 V HN 0.449 nan 8.190 nan 0.000 0.466 322 T N 0.534 115.075 114.554 -0.022 0.000 2.653 322 T HA 0.397 4.747 4.350 0.000 0.000 0.306 322 T C 0.904 175.590 174.700 -0.023 0.000 1.426 322 T CA 0.196 62.283 62.100 -0.021 0.000 1.008 322 T CB 1.167 70.022 68.868 -0.021 0.000 1.692 322 T HN 0.778 nan 8.240 nan 0.000 0.483 323 T N -0.039 114.502 114.554 -0.022 0.000 2.978 323 T HA 0.051 4.401 4.350 0.000 0.000 0.262 323 T C 2.001 176.683 174.700 -0.030 0.000 1.063 323 T CA 1.376 63.461 62.100 -0.025 0.000 1.140 323 T CB -0.884 67.970 68.868 -0.023 0.000 0.886 323 T HN 0.703 nan 8.240 nan 0.000 0.470 324 I N 2.083 122.635 120.570 -0.030 0.000 2.761 324 I HA 0.206 4.376 4.170 0.000 0.000 0.261 324 I C 0.753 176.847 176.117 -0.038 0.000 1.198 324 I CA -0.170 61.110 61.300 -0.033 0.000 1.482 324 I CB -1.309 36.675 38.000 -0.027 0.000 1.100 324 I HN 0.318 nan 8.210 nan 0.000 0.445 325 T N -1.452 113.078 114.554 -0.041 0.000 2.886 325 T HA 0.529 4.879 4.350 0.000 0.000 0.292 325 T C 0.273 174.948 174.700 -0.042 0.000 1.012 325 T CA -0.154 61.916 62.100 -0.049 0.000 0.982 325 T CB 1.500 70.328 68.868 -0.065 0.000 1.018 325 T HN 0.217 nan 8.240 nan 0.000 0.451 326 S N 1.041 116.715 115.700 -0.043 0.000 2.930 326 S HA 0.451 4.921 4.470 0.000 0.000 0.257 326 S C 1.374 175.954 174.600 -0.034 0.000 1.208 326 S CA -0.283 57.896 58.200 -0.036 0.000 1.233 326 S CB -1.249 61.931 63.200 -0.034 0.000 0.900 326 S HN 2.119 nan 8.310 nan 0.000 0.472 327 G N 2.068 110.847 108.800 -0.034 0.000 2.374 327 G HA2 -0.216 3.744 3.960 0.000 0.000 0.289 327 G HA3 -0.216 3.744 3.960 0.000 0.000 0.289 327 G C -0.218 174.659 174.900 -0.038 0.000 1.004 327 G CA -0.519 44.561 45.100 -0.033 0.000 1.292 327 G HN 0.532 nan 8.290 nan 0.000 0.502 328 R N 0.608 121.078 120.500 -0.050 0.000 2.589 328 R HA 0.478 4.818 4.340 0.000 0.000 0.293 328 R C 0.312 176.576 176.300 -0.060 0.000 0.963 328 R CA -1.124 54.938 56.100 -0.063 0.000 0.905 328 R CB 1.275 31.521 30.300 -0.090 0.000 1.144 328 R HN 0.292 nan 8.270 nan 0.000 0.459 329 M N 4.228 123.807 119.600 -0.036 0.000 2.435 329 M HA 0.237 4.717 4.480 0.000 0.000 0.344 329 M C -0.521 175.891 176.300 0.187 0.000 1.329 329 M CA -0.755 54.579 55.300 0.058 0.000 1.320 329 M CB 0.068 32.674 32.600 0.010 0.000 1.309 329 M HN 0.297 nan 8.290 nan 0.000 0.451 330 I N 2.828 123.418 120.570 0.034 0.000 2.474 330 I HA 0.194 4.364 4.170 0.000 0.000 0.287 330 I C 1.107 177.063 176.117 -0.268 0.000 1.048 330 I CA -0.188 61.023 61.300 -0.150 0.000 1.383 330 I CB 0.329 38.141 38.000 -0.314 0.000 1.412 330 I HN 0.460 nan 8.210 nan 0.000 0.531 331 R N 4.820 125.046 120.500 -0.457 0.000 2.474 331 R HA 0.175 4.515 4.340 0.000 0.000 0.339 331 R C -0.229 175.592 176.300 -0.799 0.000 1.033 331 R CA -0.153 55.327 56.100 -1.033 0.000 0.997 331 R CB 0.052 29.790 30.300 -0.936 0.000 0.963 331 R HN 0.737 nan 8.270 nan 0.000 0.438 332 A N 6.543 129.000 122.820 -0.605 0.000 2.666 332 A HA 0.213 4.533 4.320 0.000 0.000 0.312 332 A C -0.469 176.986 177.584 -0.214 0.000 1.471 332 A CA -0.513 51.348 52.037 -0.293 0.000 1.134 332 A CB -0.252 18.643 19.000 -0.175 0.000 1.129 332 A HN 0.635 nan 8.150 nan 0.000 0.539 333 F N 1.860 121.749 119.950 -0.102 0.000 2.494 333 F HA 0.232 4.759 4.527 0.000 0.000 0.369 333 F C 1.128 176.894 175.800 -0.057 0.000 1.098 333 F CA -0.499 57.453 58.000 -0.080 0.000 1.154 333 F CB 0.233 39.192 39.000 -0.068 0.000 1.103 333 F HN 0.707 nan 8.300 nan 0.000 0.549 334 E N 1.528 121.793 120.200 0.108 0.000 3.619 334 E HA 0.286 4.636 4.350 0.000 0.000 0.269 334 E C 0.487 177.119 176.600 0.053 0.000 1.087 334 E CA 0.438 56.873 56.400 0.059 0.000 1.113 334 E CB -1.193 28.527 29.700 0.032 0.000 1.004 334 E HN 0.883 nan 8.360 nan 0.000 0.431 335 G N 0.974 109.808 108.800 0.056 0.000 2.428 335 G HA2 0.093 4.053 3.960 0.000 0.000 0.681 335 G HA3 0.093 4.053 3.960 0.000 0.000 0.681 335 G C -1.117 173.783 174.900 0.001 0.000 1.340 335 G CA -0.718 44.394 45.100 0.021 0.000 0.915 335 G HN 0.526 nan 8.290 nan 0.000 0.645 336 R N -0.112 120.371 120.500 -0.027 0.000 2.564 336 R HA -0.165 4.175 4.340 0.000 0.000 0.298 336 R C -1.203 175.071 176.300 -0.044 0.000 1.011 336 R CA 0.697 56.760 56.100 -0.061 0.000 0.867 336 R CB -0.479 29.744 30.300 -0.128 0.000 2.352 336 R HN 0.527 nan 8.270 nan 0.000 0.511 337 P HA -0.181 nan 4.420 nan 0.000 0.220 337 P C 0.586 177.905 177.300 0.032 0.000 1.148 337 P CA 1.191 64.316 63.100 0.042 0.000 0.803 337 P CB 0.281 32.009 31.700 0.046 0.000 0.782 338 E N 0.683 120.878 120.200 -0.009 0.000 2.132 338 E HA -0.228 4.122 4.350 0.000 0.000 0.218 338 E C 2.158 178.735 176.600 -0.038 0.000 1.058 338 E CA 1.445 57.833 56.400 -0.019 0.000 0.882 338 E CB -1.636 28.038 29.700 -0.043 0.000 0.774 338 E HN 0.282 nan 8.360 nan 0.000 0.467 339 L N -0.046 121.081 121.223 -0.160 0.000 2.043 339 L HA -0.240 4.100 4.340 0.000 0.000 0.212 339 L C 2.488 179.323 176.870 -0.058 0.000 1.075 339 L CA 1.149 55.813 54.840 -0.292 0.000 0.752 339 L CB -0.656 40.928 42.059 -0.792 0.000 0.891 339 L HN 0.158 nan 8.230 nan 0.000 0.432 340 L N -0.205 121.131 121.223 0.189 0.000 2.021 340 L HA -0.313 4.027 4.340 0.000 0.000 0.215 340 L C 2.933 180.006 176.870 0.338 0.000 1.074 340 L CA 1.494 56.592 54.840 0.430 0.000 0.760 340 L CB -0.898 41.395 42.059 0.391 0.000 0.889 340 L HN 0.317 nan 8.230 nan 0.000 0.433 341 A N -0.002 122.937 122.820 0.199 0.000 1.851 341 A HA -0.214 4.106 4.320 0.000 0.000 0.216 341 A C 2.126 179.797 177.584 0.145 0.000 1.195 341 A CA 1.871 54.008 52.037 0.165 0.000 0.622 341 A CB -0.801 18.267 19.000 0.113 0.000 0.831 341 A HN 0.269 nan 8.150 nan 0.000 0.444 342 L N -0.272 121.010 121.223 0.099 0.000 2.042 342 L HA -0.162 4.178 4.340 0.000 0.000 0.210 342 L C 2.977 179.891 176.870 0.072 0.000 1.076 342 L CA 1.975 56.872 54.840 0.095 0.000 0.749 342 L CB -0.903 41.205 42.059 0.082 0.000 0.893 342 L HN 0.411 nan 8.230 nan 0.000 0.432 343 A N -1.894 120.907 122.820 -0.031 0.000 2.019 343 A HA -0.133 4.187 4.320 0.000 0.000 0.219 343 A C 0.167 177.518 177.584 -0.387 0.000 1.164 343 A CA 1.135 53.017 52.037 -0.258 0.000 0.644 343 A CB -0.542 18.178 19.000 -0.467 0.000 0.805 343 A HN 0.428 nan 8.150 nan 0.000 0.449 344 Y N -1.346 119.094 120.300 0.233 0.000 2.544 344 Y HA 0.298 4.848 4.550 0.000 0.000 0.347 344 Y C -2.025 173.938 175.900 0.105 0.000 1.089 344 Y CA -2.875 55.351 58.100 0.210 0.000 1.230 344 Y CB 0.487 39.042 38.460 0.159 0.000 1.101 344 Y HN 0.069 nan 8.280 nan 0.000 0.641 345 P HA -0.223 nan 4.420 nan 0.000 0.214 345 P C 1.871 179.184 177.300 0.021 0.000 1.169 345 P CA 2.364 65.495 63.100 0.051 0.000 0.908 345 P CB 0.132 31.798 31.700 -0.056 0.000 0.791 346 G N 0.406 109.189 108.800 -0.029 0.000 2.550 346 G HA2 -0.319 3.641 3.960 0.000 0.000 0.222 346 G HA3 -0.319 3.641 3.960 0.000 0.000 0.222 346 G C 1.669 176.559 174.900 -0.018 0.000 1.113 346 G CA 0.944 46.012 45.100 -0.052 0.000 0.748 346 G HN 0.305 nan 8.290 nan 0.000 0.585 347 R N 0.660 121.180 120.500 0.034 0.000 2.226 347 R HA 0.006 4.346 4.340 0.000 0.000 0.246 347 R C 1.535 177.835 176.300 0.001 0.000 1.161 347 R CA 0.557 56.669 56.100 0.021 0.000 0.997 347 R CB -0.392 29.944 30.300 0.060 0.000 0.870 347 R HN 0.388 nan 8.270 nan 0.000 0.465 348 A N 1.403 124.223 122.820 0.000 0.000 2.363 348 A HA 0.360 4.680 4.320 0.000 0.000 0.270 348 A C 0.450 178.002 177.584 -0.053 0.000 1.121 348 A CA -0.593 51.431 52.037 -0.020 0.000 0.800 348 A CB 0.523 19.520 19.000 -0.005 0.000 1.052 348 A HN 0.106 nan 8.150 nan 0.000 0.493 349 V N 0.705 120.572 119.914 -0.078 0.000 2.953 349 V HA 0.540 4.660 4.120 0.000 0.000 0.304 349 V C -0.067 175.944 176.094 -0.139 0.000 1.073 349 V CA -0.753 61.486 62.300 -0.103 0.000 1.064 349 V CB 0.803 32.561 31.823 -0.109 0.000 1.047 349 V HN 0.589 nan 8.190 nan 0.000 0.478 350 L N 5.626 126.775 121.223 -0.123 0.000 2.352 350 L HA 0.467 4.807 4.340 0.000 0.000 0.272 350 L C -0.943 175.840 176.870 -0.144 0.000 1.109 350 L CA -0.868 53.901 54.840 -0.119 0.000 0.952 350 L CB 0.525 42.536 42.059 -0.080 0.000 1.314 350 L HN 0.709 nan 8.230 nan 0.000 0.427 351 P HA 0.066 nan 4.420 nan 0.000 0.227 351 P C 0.148 177.354 177.300 -0.156 0.000 1.161 351 P CA 0.441 63.417 63.100 -0.206 0.000 0.788 351 P CB 0.218 31.727 31.700 -0.319 0.000 0.822 352 T N -2.900 111.582 114.554 -0.119 0.000 2.916 352 T HA 0.492 4.842 4.350 0.000 0.000 0.292 352 T C -0.345 174.324 174.700 -0.052 0.000 1.064 352 T CA -0.728 61.320 62.100 -0.087 0.000 1.011 352 T CB 1.738 70.573 68.868 -0.056 0.000 1.152 352 T HN -0.281 nan 8.240 nan 0.000 0.510 353 Q N 1.502 121.275 119.800 -0.045 0.000 2.936 353 Q HA 0.340 4.680 4.340 0.000 0.000 0.383 353 Q C 0.288 176.254 176.000 -0.057 0.000 1.167 353 Q CA -0.451 55.327 55.803 -0.042 0.000 1.038 353 Q CB -0.058 28.659 28.738 -0.036 0.000 1.409 353 Q HN 0.876 nan 8.270 nan 0.000 0.448 354 T N -3.787 110.743 114.554 -0.041 0.000 2.936 354 T HA 0.366 4.716 4.350 0.000 0.000 0.282 354 T C 1.035 175.728 174.700 -0.010 0.000 1.003 354 T CA -0.986 61.088 62.100 -0.043 0.000 1.005 354 T CB 1.520 70.388 68.868 -0.001 0.000 1.097 354 T HN 0.128 nan 8.240 nan 0.000 0.532 355 K N 0.738 121.128 120.400 -0.016 0.000 2.044 355 K HA -0.234 4.086 4.320 0.000 0.000 0.210 355 K C 2.213 178.838 176.600 0.040 0.000 1.049 355 K CA 1.999 58.287 56.287 0.002 0.000 0.927 355 K CB -0.441 32.047 32.500 -0.020 0.000 0.713 355 K HN 0.631 nan 8.250 nan 0.000 0.443 356 N N 0.485 119.207 118.700 0.036 0.000 2.084 356 N HA -0.179 4.561 4.740 0.000 0.000 0.190 356 N C 1.757 177.347 175.510 0.134 0.000 1.030 356 N CA 1.494 54.591 53.050 0.079 0.000 0.849 356 N CB -0.141 38.386 38.487 0.066 0.000 1.012 356 N HN 0.250 nan 8.380 nan 0.000 0.423 357 A N 0.414 123.278 122.820 0.074 0.000 1.927 357 A HA -0.301 4.019 4.320 0.000 0.000 0.220 357 A C 2.077 179.685 177.584 0.039 0.000 1.185 357 A CA 1.829 53.892 52.037 0.044 0.000 0.639 357 A CB -0.865 18.138 19.000 0.005 0.000 0.820 357 A HN 0.528 nan 8.150 nan 0.000 0.451 358 Q N -1.896 117.937 119.800 0.056 0.000 2.061 358 Q HA -0.200 4.140 4.340 0.000 0.000 0.204 358 Q C 1.969 178.020 176.000 0.085 0.000 0.984 358 Q CA 1.768 57.603 55.803 0.054 0.000 0.846 358 Q CB -0.385 28.382 28.738 0.048 0.000 0.902 358 Q HN 0.788 nan 8.270 nan 0.000 0.421 359 F N 1.195 121.130 119.950 -0.025 0.000 2.069 359 F HA -0.244 4.283 4.527 0.000 0.000 0.298 359 F C 1.826 177.591 175.800 -0.058 0.000 1.113 359 F CA 1.431 59.415 58.000 -0.027 0.000 1.214 359 F CB -0.254 38.735 39.000 -0.018 0.000 0.978 359 F HN -0.033 nan 8.300 nan 0.000 0.474 360 L N -0.584 120.552 121.223 -0.144 0.000 2.083 360 L HA -0.214 4.126 4.340 0.000 0.000 0.209 360 L C 2.642 179.368 176.870 -0.240 0.000 1.083 360 L CA 1.594 56.263 54.840 -0.285 0.000 0.752 360 L CB -0.696 41.316 42.059 -0.078 0.000 0.899 360 L HN 0.224 nan 8.230 nan 0.000 0.433 361 S N -1.471 114.147 115.700 -0.137 0.000 2.562 361 S HA -0.071 4.399 4.470 0.000 0.000 0.221 361 S C 1.734 176.265 174.600 -0.115 0.000 0.975 361 S CA 1.020 59.154 58.200 -0.110 0.000 0.918 361 S CB -0.191 62.970 63.200 -0.065 0.000 0.772 361 S HN 0.604 nan 8.310 nan 0.000 0.531 362 T N -1.136 113.328 114.554 -0.150 0.000 3.086 362 T HA 0.629 4.979 4.350 0.000 0.000 0.250 362 T C 0.320 174.912 174.700 -0.180 0.000 1.074 362 T CA 0.158 62.178 62.100 -0.133 0.000 0.988 362 T CB 0.291 69.108 68.868 -0.085 0.000 0.988 362 T HN 0.275 nan 8.240 nan 0.000 0.530 363 A N 1.036 123.696 122.820 -0.268 0.000 2.311 363 A HA 0.755 5.075 4.320 0.000 0.000 0.334 363 A C -0.356 177.118 177.584 -0.185 0.000 1.139 363 A CA -0.977 50.900 52.037 -0.268 0.000 0.830 363 A CB 0.624 19.339 19.000 -0.475 0.000 1.234 363 A HN 0.374 nan 8.150 nan 0.000 0.483 364 I N 2.136 122.626 120.570 -0.133 0.000 2.471 364 I HA 0.287 4.457 4.170 0.000 0.000 0.294 364 I C 1.216 177.272 176.117 -0.101 0.000 1.123 364 I CA 0.477 61.725 61.300 -0.085 0.000 1.336 364 I CB 0.488 38.468 38.000 -0.033 0.000 1.430 364 I HN 0.681 nan 8.210 nan 0.000 0.533 365 A N 6.242 129.006 122.820 -0.093 0.000 1.930 365 A HA -0.117 4.203 4.320 0.000 0.000 0.215 365 A C 1.934 179.483 177.584 -0.058 0.000 1.176 365 A CA 1.227 53.208 52.037 -0.094 0.000 0.632 365 A CB -0.612 18.340 19.000 -0.080 0.000 0.819 365 A HN 0.801 nan 8.150 nan 0.000 0.445 366 D N 0.387 120.765 120.400 -0.038 0.000 2.228 366 D HA -0.220 4.420 4.640 0.000 0.000 0.203 366 D C 0.597 176.900 176.300 0.006 0.000 0.988 366 D CA 0.909 54.898 54.000 -0.018 0.000 0.864 366 D CB -0.412 40.379 40.800 -0.015 0.000 0.928 366 D HN 0.359 nan 8.370 nan 0.000 0.469 367 R N 0.621 121.135 120.500 0.023 0.000 4.886 367 R HA 0.228 4.568 4.340 0.000 0.000 0.181 367 R C -0.449 175.958 176.300 0.178 0.000 1.989 367 R CA 0.168 56.320 56.100 0.086 0.000 1.623 367 R CB -0.158 30.204 30.300 0.104 0.000 1.383 367 R HN 0.249 nan 8.270 nan 0.000 0.847 368 I N 0.725 121.373 120.570 0.132 0.000 2.468 368 I HA 0.422 4.592 4.170 0.000 0.000 0.284 368 I C 1.031 177.190 176.117 0.071 0.000 1.038 368 I CA -0.192 61.228 61.300 0.199 0.000 1.083 368 I CB 0.815 38.866 38.000 0.084 0.000 1.223 368 I HN 0.614 nan 8.210 nan 0.000 0.443 369 G N 6.990 115.916 108.800 0.209 0.000 2.496 369 G HA2 -0.204 3.756 3.960 0.000 0.000 0.243 369 G HA3 -0.204 3.756 3.960 0.000 0.000 0.243 369 G C -0.027 174.912 174.900 0.066 0.000 1.176 369 G CA -0.555 44.637 45.100 0.153 0.000 0.940 369 G HN 0.627 nan 8.290 nan 0.000 0.573 370 R N 1.231 121.708 120.500 -0.039 0.000 2.204 370 R HA 0.407 4.747 4.340 0.000 0.000 0.341 370 R C 1.429 177.623 176.300 -0.176 0.000 1.035 370 R CA -0.749 55.212 56.100 -0.232 0.000 0.887 370 R CB 0.243 30.139 30.300 -0.672 0.000 1.114 370 R HN 0.405 nan 8.270 nan 0.000 0.473 371 L N 1.891 123.031 121.223 -0.138 0.000 2.044 371 L HA 0.065 4.405 4.340 0.000 0.000 0.205 371 L C 0.371 177.172 176.870 -0.114 0.000 1.075 371 L CA 1.672 56.452 54.840 -0.100 0.000 0.747 371 L CB -0.545 41.475 42.059 -0.064 0.000 0.903 371 L HN 0.549 nan 8.230 nan 0.000 0.435 372 D N -1.072 119.240 120.400 -0.146 0.000 2.857 372 D HA 0.303 4.943 4.640 0.000 0.000 0.227 372 D C -0.612 175.584 176.300 -0.173 0.000 1.192 372 D CA -0.419 53.505 54.000 -0.127 0.000 0.857 372 D CB 2.778 43.537 40.800 -0.068 0.000 1.645 372 D HN -0.097 nan 8.370 nan 0.000 0.482 373 R N 0.510 120.918 120.500 -0.153 0.000 2.514 373 R HA 0.700 5.040 4.340 0.000 0.000 0.301 373 R C -1.164 175.091 176.300 -0.075 0.000 0.962 373 R CA -0.614 55.396 56.100 -0.150 0.000 0.882 373 R CB 1.569 31.770 30.300 -0.165 0.000 1.143 373 R HN 0.448 nan 8.270 nan 0.000 0.452 374 A N 4.122 126.911 122.820 -0.051 0.000 2.508 374 A HA 0.363 4.683 4.320 0.000 0.000 0.336 374 A C -1.110 176.476 177.584 0.004 0.000 1.360 374 A CA -0.554 51.478 52.037 -0.009 0.000 0.841 374 A CB 0.181 19.193 19.000 0.019 0.000 1.136 374 A HN 0.738 nan 8.150 nan 0.000 0.489 375 N N 1.271 119.968 118.700 -0.005 0.000 2.367 375 N HA 0.481 5.221 4.740 0.000 0.000 0.278 375 N C -0.735 174.774 175.510 -0.002 0.000 1.117 375 N CA -0.493 52.556 53.050 -0.002 0.000 0.867 375 N CB 1.611 40.091 38.487 -0.012 0.000 1.649 375 N HN 0.276 nan 8.380 nan 0.000 0.479 376 L N 2.226 123.451 121.223 0.003 0.000 3.069 376 L HA 0.536 4.876 4.340 0.000 0.000 0.271 376 L C -0.431 176.440 176.870 0.001 0.000 1.201 376 L CA -0.080 54.761 54.840 0.002 0.000 1.015 376 L CB 0.320 42.383 42.059 0.007 0.000 1.371 376 L HN 0.581 nan 8.230 nan 0.000 0.574 377 I N 0.841 121.410 120.570 -0.001 0.000 2.241 377 I HA 0.171 4.341 4.170 0.000 0.000 0.294 377 I C 1.337 177.452 176.117 -0.002 0.000 1.145 377 I CA -0.072 61.228 61.300 -0.001 0.000 1.261 377 I CB 0.351 38.350 38.000 -0.002 0.000 1.475 377 I HN 0.058 nan 8.210 nan 0.000 0.533 378 G N 3.377 112.176 108.800 -0.002 0.000 2.794 378 G HA2 0.227 4.187 3.960 0.000 0.000 0.249 378 G HA3 0.227 4.187 3.960 0.000 0.000 0.249 378 G C 1.105 176.004 174.900 -0.002 0.000 1.236 378 G CA -0.045 45.054 45.100 -0.002 0.000 0.880 378 G HN 0.951 nan 8.290 nan 0.000 0.586 379 G N -1.192 107.607 108.800 -0.002 0.000 2.473 379 G HA2 -0.197 3.763 3.960 0.000 0.000 0.307 379 G HA3 -0.197 3.763 3.960 0.000 0.000 0.307 379 G C 0.290 175.188 174.900 -0.002 0.000 0.937 379 G CA 1.441 46.541 45.100 -0.001 0.000 0.947 379 G HN 1.046 nan 8.290 nan 0.000 0.513 380 E N -1.308 118.889 120.200 -0.006 0.000 2.340 380 E HA 0.578 4.928 4.350 0.000 0.000 0.273 380 E C 0.481 177.073 176.600 -0.013 0.000 0.891 380 E CA -0.676 55.718 56.400 -0.011 0.000 0.757 380 E CB 2.207 31.898 29.700 -0.015 0.000 1.231 380 E HN 0.594 nan 8.360 nan 0.000 0.439 381 V N 1.173 121.077 119.914 -0.016 0.000 3.264 381 V HA 0.369 4.489 4.120 0.000 0.000 0.304 381 V C 0.520 176.598 176.094 -0.027 0.000 1.086 381 V CA -0.626 61.665 62.300 -0.014 0.000 1.090 381 V CB 1.413 33.232 31.823 -0.007 0.000 1.112 381 V HN 0.663 nan 8.190 nan 0.000 0.472 382 S N 1.265 116.954 115.700 -0.017 0.000 2.549 382 S HA 0.392 4.862 4.470 0.000 0.000 0.286 382 S C 1.342 175.917 174.600 -0.042 0.000 1.314 382 S CA 0.033 58.220 58.200 -0.022 0.000 1.062 382 S CB 0.714 63.905 63.200 -0.016 0.000 0.865 382 S HN 1.452 nan 8.310 nan 0.000 0.498 383 A N 5.220 128.017 122.820 -0.039 0.000 1.933 383 A HA 0.171 4.491 4.320 0.000 0.000 0.218 383 A C 0.764 178.434 177.584 0.144 0.000 1.175 383 A CA 1.156 53.177 52.037 -0.026 0.000 0.628 383 A CB -0.201 18.826 19.000 0.045 0.000 0.814 383 A HN 0.802 nan 8.150 nan 0.000 0.444 384 M N -2.002 117.642 119.600 0.074 0.000 2.682 384 M HA 0.424 4.904 4.480 0.000 0.000 0.272 384 M C -1.401 174.835 176.300 -0.107 0.000 1.232 384 M CA -0.744 54.532 55.300 -0.039 0.000 0.849 384 M CB 2.611 35.072 32.600 -0.232 0.000 1.695 384 M HN 0.081 nan 8.290 nan 0.000 0.481 385 V N -1.252 118.559 119.914 -0.172 0.000 2.715 385 V HA 0.754 4.874 4.120 0.000 0.000 0.310 385 V C -1.045 174.898 176.094 -0.251 0.000 1.054 385 V CA -0.597 61.564 62.300 -0.233 0.000 0.928 385 V CB 1.770 33.404 31.823 -0.315 0.000 1.007 385 V HN 0.831 nan 8.190 nan 0.000 0.437 386 E N 2.966 122.999 120.200 -0.279 0.000 2.173 386 E HA 0.524 4.874 4.350 0.000 0.000 0.249 386 E C -0.530 175.886 176.600 -0.307 0.000 0.923 386 E CA -0.150 56.056 56.400 -0.323 0.000 0.754 386 E CB 0.951 30.532 29.700 -0.199 0.000 1.177 386 E HN 1.040 nan 8.360 nan 0.000 0.430 387 C N 1.254 120.391 119.300 -0.271 0.000 2.369 387 C HA 0.611 5.071 4.460 0.000 0.000 0.322 387 C C 0.160 175.094 174.990 -0.094 0.000 1.258 387 C CA -1.209 57.736 59.018 -0.122 0.000 1.487 387 C CB 0.327 28.096 27.740 0.050 0.000 2.165 387 C HN 0.490 nan 8.230 nan 0.000 0.483 388 M N 4.094 123.691 119.600 -0.006 0.000 2.156 388 M HA 0.399 4.879 4.480 0.000 0.000 0.345 388 M C -0.026 176.240 176.300 -0.058 0.000 1.398 388 M CA 1.041 56.342 55.300 0.001 0.000 1.148 388 M CB 0.099 32.829 32.600 0.217 0.000 1.663 388 M HN 0.782 nan 8.290 nan 0.000 0.464 389 E N 2.372 122.263 120.200 -0.515 0.000 2.343 389 E HA 0.342 4.692 4.350 0.000 0.000 0.270 389 E C -1.166 174.804 176.600 -1.050 0.000 0.895 389 E CA -1.077 54.964 56.400 -0.599 0.000 0.767 389 E CB 2.433 31.972 29.700 -0.267 0.000 1.248 389 E HN 0.562 nan 8.360 nan 0.000 0.440 390 L N 2.117 122.983 121.223 -0.595 0.000 2.774 390 L HA 0.021 4.361 4.340 0.000 0.000 0.279 390 L C -0.666 176.174 176.870 -0.050 0.000 1.137 390 L CA 0.499 55.261 54.840 -0.130 0.000 1.021 390 L CB -0.317 41.809 42.059 0.111 0.000 1.366 390 L HN 0.427 nan 8.230 nan 0.000 0.471 391 C N 4.431 123.716 119.300 -0.025 0.000 2.551 391 C HA 0.295 4.755 4.460 0.000 0.000 0.332 391 C C -0.427 174.619 174.990 0.092 0.000 1.139 391 C CA -1.148 57.889 59.018 0.032 0.000 1.328 391 C CB 1.238 28.965 27.740 -0.022 0.000 1.903 391 C HN 0.752 nan 8.230 nan 0.000 0.459 392 D N 3.545 124.025 120.400 0.133 0.000 2.348 392 D HA 0.257 4.897 4.640 0.000 0.000 0.259 392 D C 1.155 177.546 176.300 0.152 0.000 1.296 392 D CA 0.705 54.800 54.000 0.157 0.000 0.931 392 D CB 1.486 42.432 40.800 0.243 0.000 1.067 392 D HN 0.771 nan 8.370 nan 0.000 0.503 393 A N 4.365 127.259 122.820 0.124 0.000 1.927 393 A HA -0.241 4.079 4.320 0.000 0.000 0.220 393 A C 2.041 179.739 177.584 0.190 0.000 1.185 393 A CA 1.381 53.501 52.037 0.138 0.000 0.639 393 A CB -0.517 18.546 19.000 0.105 0.000 0.820 393 A HN 0.641 nan 8.150 nan 0.000 0.451 394 L N -0.711 120.630 121.223 0.197 0.000 2.027 394 L HA -0.102 4.238 4.340 0.000 0.000 0.206 394 L C 2.617 179.618 176.870 0.217 0.000 1.074 394 L CA 2.668 57.644 54.840 0.226 0.000 0.745 394 L CB -0.732 41.494 42.059 0.279 0.000 0.898 394 L HN 0.392 nan 8.230 nan 0.000 0.433 395 T N 0.067 114.760 114.554 0.232 0.000 2.652 395 T HA -0.241 4.109 4.350 0.000 0.000 0.267 395 T C 1.802 176.578 174.700 0.128 0.000 1.039 395 T CA 1.735 63.918 62.100 0.139 0.000 1.153 395 T CB -0.571 68.372 68.868 0.125 0.000 0.863 395 T HN 0.285 nan 8.240 nan 0.000 0.428 396 L N 1.334 122.653 121.223 0.159 0.000 2.010 396 L HA -0.256 4.084 4.340 0.000 0.000 0.219 396 L C 2.379 179.386 176.870 0.228 0.000 1.077 396 L CA 2.128 57.076 54.840 0.180 0.000 0.773 396 L CB -0.914 41.252 42.059 0.179 0.000 0.892 396 L HN 0.372 nan 8.230 nan 0.000 0.436 397 H N -0.168 118.977 119.070 0.125 0.000 2.319 397 H HA -0.207 4.349 4.556 0.000 0.000 0.297 397 H C 2.241 177.638 175.328 0.116 0.000 1.097 397 H CA 2.582 58.698 56.048 0.114 0.000 1.285 397 H CB -0.378 29.450 29.762 0.109 0.000 1.368 397 H HN 0.507 nan 8.280 nan 0.000 0.495 398 I N 0.296 120.948 120.570 0.136 0.000 2.127 398 I HA -0.293 3.877 4.170 0.000 0.000 0.241 398 I C 2.791 179.007 176.117 0.166 0.000 1.075 398 I CA 1.410 62.755 61.300 0.076 0.000 1.334 398 I CB -0.218 37.780 38.000 -0.003 0.000 1.040 398 I HN 0.156 nan 8.210 nan 0.000 0.405 399 R N 1.085 121.673 120.500 0.146 0.000 2.115 399 R HA -0.171 4.169 4.340 0.000 0.000 0.230 399 R C 2.012 178.464 176.300 0.253 0.000 1.111 399 R CA 1.566 57.777 56.100 0.185 0.000 0.976 399 R CB -0.891 29.490 30.300 0.135 0.000 0.870 399 R HN 0.652 nan 8.270 nan 0.000 0.445 400 E N 1.024 121.354 120.200 0.216 0.000 2.033 400 E HA -0.230 4.120 4.350 0.000 0.000 0.199 400 E C 1.697 178.384 176.600 0.146 0.000 1.011 400 E CA 2.126 58.624 56.400 0.163 0.000 0.815 400 E CB -0.842 28.948 29.700 0.151 0.000 0.755 400 E HN 0.339 nan 8.360 nan 0.000 0.451 401 T N -0.550 114.139 114.554 0.226 0.000 2.597 401 T HA -0.374 3.976 4.350 0.000 0.000 0.267 401 T C 2.001 176.890 174.700 0.315 0.000 1.053 401 T CA 1.701 63.965 62.100 0.274 0.000 1.165 401 T CB -1.226 67.832 68.868 0.316 0.000 0.863 401 T HN 0.491 nan 8.240 nan 0.000 0.427 402 Y N 2.455 122.841 120.300 0.145 0.000 2.114 402 Y HA -0.131 4.419 4.550 0.000 0.000 0.282 402 Y C 2.138 178.045 175.900 0.013 0.000 1.165 402 Y CA 1.235 59.382 58.100 0.078 0.000 1.148 402 Y CB -0.649 37.852 38.460 0.069 0.000 0.972 402 Y HN 0.264 nan 8.280 nan 0.000 0.504 403 I N -0.239 120.227 120.570 -0.172 0.000 2.286 403 I HA -0.318 3.852 4.170 0.000 0.000 0.248 403 I C 2.477 178.425 176.117 -0.281 0.000 1.115 403 I CA 1.805 62.915 61.300 -0.316 0.000 1.392 403 I CB -0.394 37.479 38.000 -0.213 0.000 1.065 403 I HN 0.366 nan 8.210 nan 0.000 0.418 404 M N 0.329 119.864 119.600 -0.107 0.000 2.229 404 M HA -0.156 4.324 4.480 0.000 0.000 0.264 404 M C 1.929 178.220 176.300 -0.015 0.000 1.063 404 M CA 1.683 56.965 55.300 -0.031 0.000 1.114 404 M CB -0.278 32.380 32.600 0.096 0.000 1.387 404 M HN 0.227 nan 8.290 nan 0.000 0.420 405 L N -0.603 120.528 121.223 -0.153 0.000 2.027 405 L HA -0.091 4.249 4.340 0.000 0.000 0.206 405 L C 1.934 178.613 176.870 -0.318 0.000 1.074 405 L CA 1.563 56.130 54.840 -0.455 0.000 0.745 405 L CB -0.789 40.876 42.059 -0.657 0.000 0.898 405 L HN 0.285 nan 8.230 nan 0.000 0.433 406 L N -0.007 120.996 121.223 -0.366 0.000 2.043 406 L HA -0.231 4.109 4.340 0.000 0.000 0.212 406 L C 2.816 179.504 176.870 -0.303 0.000 1.075 406 L CA 2.036 56.676 54.840 -0.333 0.000 0.752 406 L CB -0.850 40.939 42.059 -0.449 0.000 0.891 406 L HN 0.340 nan 8.230 nan 0.000 0.432 407 R N -0.959 119.320 120.500 -0.367 0.000 2.073 407 R HA -0.153 4.187 4.340 0.000 0.000 0.234 407 R C 2.334 178.561 176.300 -0.122 0.000 1.134 407 R CA 1.607 57.458 56.100 -0.415 0.000 0.952 407 R CB -0.194 29.871 30.300 -0.391 0.000 0.850 407 R HN 0.312 nan 8.270 nan 0.000 0.433 408 S N 0.737 116.369 115.700 -0.113 0.000 2.392 408 S HA -0.245 4.225 4.470 0.000 0.000 0.232 408 S C 1.726 176.270 174.600 -0.093 0.000 1.041 408 S CA 1.860 60.014 58.200 -0.075 0.000 1.026 408 S CB -0.225 62.939 63.200 -0.060 0.000 0.845 408 S HN 0.456 nan 8.310 nan 0.000 0.465 409 M N 1.540 121.086 119.600 -0.090 0.000 2.506 409 M HA -0.015 4.465 4.480 0.000 0.000 0.260 409 M C 0.681 176.905 176.300 -0.126 0.000 1.104 409 M CA 0.448 55.696 55.300 -0.087 0.000 1.112 409 M CB 0.043 32.620 32.600 -0.037 0.000 1.401 409 M HN 0.357 nan 8.290 nan 0.000 0.473 410 H N 1.367 120.297 119.070 -0.234 0.000 2.764 410 H HA 0.266 4.822 4.556 0.000 0.000 0.341 410 H C -1.276 173.881 175.328 -0.284 0.000 1.072 410 H CA 0.089 55.999 56.048 -0.230 0.000 1.444 410 H CB 0.487 30.140 29.762 -0.183 0.000 1.458 410 H HN 0.219 nan 8.280 nan 0.000 0.572 411 Q N 3.780 123.350 119.800 -0.383 0.000 2.342 411 Q HA 0.273 4.613 4.340 0.000 0.000 0.267 411 Q C -0.796 175.052 176.000 -0.252 0.000 1.038 411 Q CA -0.794 54.773 55.803 -0.393 0.000 0.832 411 Q CB 2.159 30.697 28.738 -0.332 0.000 1.323 411 Q HN 0.736 nan 8.270 nan 0.000 0.448 412 D N 2.510 122.765 120.400 -0.243 0.000 2.283 412 D HA 0.186 4.826 4.640 0.000 0.000 0.248 412 D C -1.510 174.767 176.300 -0.039 0.000 1.072 412 D CA -1.338 52.577 54.000 -0.142 0.000 0.929 412 D CB 0.685 41.394 40.800 -0.152 0.000 1.182 412 D HN 0.078 nan 8.370 nan 0.000 0.433 413 P HA -0.282 nan 4.420 nan 0.000 0.216 413 P C 1.469 178.781 177.300 0.021 0.000 1.167 413 P CA 2.216 65.323 63.100 0.011 0.000 0.914 413 P CB -0.178 31.528 31.700 0.011 0.000 0.793 414 T N -1.233 113.324 114.554 0.006 0.000 2.653 414 T HA -0.301 4.049 4.350 0.000 0.000 0.268 414 T C 1.880 176.596 174.700 0.027 0.000 1.035 414 T CA 1.821 63.927 62.100 0.011 0.000 1.154 414 T CB -1.431 67.434 68.868 -0.004 0.000 0.862 414 T HN 0.312 nan 8.240 nan 0.000 0.441 415 Q N 1.552 121.363 119.800 0.020 0.000 2.124 415 Q HA -0.078 4.262 4.340 0.000 0.000 0.202 415 Q C 2.480 178.572 176.000 0.154 0.000 0.977 415 Q CA 1.626 57.461 55.803 0.054 0.000 0.850 415 Q CB -0.801 27.929 28.738 -0.013 0.000 0.901 415 Q HN 0.632 nan 8.270 nan 0.000 0.429 416 I N 1.586 122.263 120.570 0.178 0.000 2.208 416 I HA -0.255 3.915 4.170 0.000 0.000 0.245 416 I C 2.502 178.683 176.117 0.107 0.000 1.097 416 I CA 1.125 62.559 61.300 0.222 0.000 1.363 416 I CB -0.444 37.658 38.000 0.169 0.000 1.051 416 I HN -0.005 nan 8.210 nan 0.000 0.413 417 V N 0.490 120.443 119.914 0.064 0.000 2.255 417 V HA -0.330 3.790 4.120 0.000 0.000 0.247 417 V C 2.407 178.524 176.094 0.038 0.000 1.051 417 V CA 1.950 64.272 62.300 0.035 0.000 1.018 417 V CB -1.239 30.600 31.823 0.026 0.000 0.641 417 V HN 0.469 nan 8.190 nan 0.000 0.445 418 Q N -0.204 119.628 119.800 0.054 0.000 2.082 418 Q HA -0.253 4.087 4.340 0.000 0.000 0.211 418 Q C 2.325 178.367 176.000 0.070 0.000 1.002 418 Q CA 2.203 58.041 55.803 0.058 0.000 0.868 418 Q CB -0.446 28.332 28.738 0.067 0.000 0.931 418 Q HN 0.522 nan 8.270 nan 0.000 0.414 419 I N 0.167 120.816 120.570 0.132 0.000 2.142 419 I HA -0.222 3.949 4.170 0.000 0.000 0.240 419 I C 2.422 178.592 176.117 0.088 0.000 1.078 419 I CA 1.181 62.583 61.300 0.170 0.000 1.343 419 I CB -1.371 36.838 38.000 0.347 0.000 1.046 419 I HN 0.087 nan 8.210 nan 0.000 0.405 420 V N 1.927 121.875 119.914 0.056 0.000 2.237 420 V HA -0.301 3.819 4.120 0.000 0.000 0.245 420 V C 2.476 178.519 176.094 -0.085 0.000 1.046 420 V CA 2.243 64.531 62.300 -0.020 0.000 1.007 420 V CB -1.077 30.726 31.823 -0.032 0.000 0.638 420 V HN 0.552 nan 8.190 nan 0.000 0.445 421 N N 0.278 118.947 118.700 -0.051 0.000 2.091 421 N HA -0.290 4.450 4.740 0.000 0.000 0.193 421 N C 1.802 177.273 175.510 -0.065 0.000 1.021 421 N CA 2.280 55.295 53.050 -0.059 0.000 0.862 421 N CB -0.073 38.399 38.487 -0.024 0.000 1.018 421 N HN 0.673 nan 8.380 nan 0.000 0.429 422 E N 0.007 120.183 120.200 -0.040 0.000 2.028 422 E HA -0.120 4.230 4.350 0.000 0.000 0.191 422 E C 2.367 178.926 176.600 -0.069 0.000 0.988 422 E CA 1.381 57.756 56.400 -0.041 0.000 0.799 422 E CB -0.151 29.539 29.700 -0.017 0.000 0.755 422 E HN 0.445 nan 8.360 nan 0.000 0.447 423 C N 0.791 120.042 119.300 -0.081 0.000 2.413 423 C HA -0.146 4.314 4.460 0.000 0.000 0.277 423 C C 2.844 177.673 174.990 -0.268 0.000 1.265 423 C CA 0.935 59.889 59.018 -0.105 0.000 1.752 423 C CB -0.958 26.753 27.740 -0.048 0.000 1.998 423 C HN 0.508 nan 8.230 nan 0.000 0.489 424 A N 0.391 122.970 122.820 -0.403 0.000 2.121 424 A HA -0.079 4.241 4.320 0.000 0.000 0.218 424 A C 0.964 178.433 177.584 -0.192 0.000 1.154 424 A CA 0.876 52.644 52.037 -0.450 0.000 0.679 424 A CB -0.647 18.113 19.000 -0.401 0.000 0.795 424 A HN 0.797 nan 8.150 nan 0.000 0.458 425 N N -0.373 118.260 118.700 -0.113 0.000 2.707 425 N HA -0.277 4.463 4.740 0.000 0.000 0.253 425 N C 0.129 175.625 175.510 -0.024 0.000 0.998 425 N CA 0.995 54.018 53.050 -0.046 0.000 0.751 425 N CB -1.395 37.082 38.487 -0.018 0.000 0.920 425 N HN 0.708 nan 8.380 nan 0.000 0.539 426 N N -1.320 117.359 118.700 -0.035 0.000 2.758 426 N HA -0.253 4.487 4.740 0.000 0.000 0.245 426 N C 1.153 176.666 175.510 0.004 0.000 1.059 426 N CA 1.391 54.431 53.050 -0.017 0.000 0.900 426 N CB -0.885 37.601 38.487 -0.001 0.000 1.145 426 N HN 0.454 nan 8.380 nan 0.000 0.590 427 L N -1.067 120.168 121.223 0.020 0.000 2.187 427 L HA -0.057 4.283 4.340 0.000 0.000 0.213 427 L C 0.535 177.448 176.870 0.072 0.000 1.100 427 L CA 0.959 55.842 54.840 0.071 0.000 0.765 427 L CB -0.049 42.095 42.059 0.141 0.000 0.904 427 L HN 0.146 nan 8.230 nan 0.000 0.437 428 L N -1.103 120.128 121.223 0.013 0.000 2.354 428 L HA 0.433 4.773 4.340 0.000 0.000 0.269 428 L C -0.674 176.180 176.870 -0.026 0.000 1.005 428 L CA -0.159 54.682 54.840 0.003 0.000 0.819 428 L CB 1.924 43.957 42.059 -0.042 0.000 1.311 428 L HN -0.122 nan 8.230 nan 0.000 0.423 429 N N 0.377 119.079 118.700 0.003 0.000 2.287 429 N HA 0.622 5.362 4.740 0.000 0.000 0.289 429 N C -1.738 173.783 175.510 0.017 0.000 1.066 429 N CA -0.271 52.782 53.050 0.005 0.000 0.841 429 N CB 2.201 40.697 38.487 0.014 0.000 1.599 429 N HN 0.461 nan 8.380 nan 0.000 0.476 430 S N 0.427 116.134 115.700 0.013 0.000 2.568 430 S HA 0.668 5.138 4.470 0.000 0.000 0.293 430 S C -1.211 173.413 174.600 0.041 0.000 1.089 430 S CA -0.469 57.745 58.200 0.024 0.000 0.945 430 S CB 0.848 64.050 63.200 0.004 0.000 1.077 430 S HN 0.408 nan 8.310 nan 0.000 0.485 431 T N 3.953 118.552 114.554 0.075 0.000 2.929 431 T HA 0.383 4.733 4.350 0.000 0.000 0.331 431 T C -0.062 174.713 174.700 0.126 0.000 1.120 431 T CA -0.252 61.907 62.100 0.098 0.000 0.973 431 T CB -0.505 68.450 68.868 0.145 0.000 1.036 431 T HN 0.516 nan 8.240 nan 0.000 0.502 432 I N 6.627 127.238 120.570 0.069 0.000 2.680 432 I HA 0.111 4.281 4.170 0.000 0.000 0.286 432 I C -1.440 174.708 176.117 0.051 0.000 1.144 432 I CA -1.046 60.288 61.300 0.056 0.000 1.370 432 I CB -0.386 37.631 38.000 0.028 0.000 1.420 432 I HN 0.342 nan 8.210 nan 0.000 0.540 433 P HA 0.369 nan 4.420 nan 0.000 0.290 433 P C -0.609 176.708 177.300 0.028 0.000 1.276 433 P CA -0.507 62.626 63.100 0.054 0.000 0.808 433 P CB 1.499 33.304 31.700 0.175 0.000 0.966 434 I N 1.970 122.539 120.570 -0.003 0.000 2.268 434 I HA 0.226 4.396 4.170 0.000 0.000 0.290 434 I C 0.193 176.310 176.117 0.001 0.000 1.125 434 I CA 0.631 61.930 61.300 -0.002 0.000 1.236 434 I CB -0.313 37.680 38.000 -0.012 0.000 1.469 434 I HN 0.179 nan 8.210 nan 0.000 0.512 435 S N 4.427 120.138 115.700 0.017 0.000 2.546 435 S HA 0.565 5.035 4.470 0.000 0.000 0.274 435 S C -0.679 173.934 174.600 0.021 0.000 1.121 435 S CA -0.692 57.521 58.200 0.022 0.000 0.887 435 S CB 2.042 65.269 63.200 0.045 0.000 1.094 435 S HN 0.375 nan 8.310 nan 0.000 0.474 436 L N 2.519 123.752 121.223 0.017 0.000 2.483 436 L HA 0.267 4.607 4.340 0.000 0.000 0.276 436 L C 0.153 177.035 176.870 0.020 0.000 1.213 436 L CA 0.539 55.389 54.840 0.015 0.000 0.843 436 L CB 0.237 42.303 42.059 0.012 0.000 1.107 436 L HN 0.600 nan 8.230 nan 0.000 0.487 437 R N 5.710 126.221 120.500 0.019 0.000 2.248 437 R HA 0.248 4.588 4.340 0.000 0.000 0.337 437 R C -1.927 174.390 176.300 0.028 0.000 1.085 437 R CA -1.247 54.867 56.100 0.023 0.000 0.934 437 R CB -0.013 30.298 30.300 0.018 0.000 1.034 437 R HN 0.509 nan 8.270 nan 0.000 0.465 438 P HA 0.009 nan 4.420 nan 0.000 0.231 438 P C -0.533 176.774 177.300 0.012 0.000 1.811 438 P CA -0.274 62.830 63.100 0.007 0.000 1.051 438 P CB 0.141 31.843 31.700 0.003 0.000 1.951 439 T N -0.471 114.107 114.554 0.040 0.000 3.398 439 T HA -0.241 4.109 4.350 0.000 0.000 0.408 439 T C 0.338 175.182 174.700 0.241 0.000 0.769 439 T CA 0.253 62.427 62.100 0.124 0.000 2.018 439 T CB -2.765 65.944 68.868 -0.266 0.000 1.703 439 T HN 0.323 nan 8.240 nan 0.000 0.639 440 I N -0.943 119.745 120.570 0.197 0.000 2.357 440 I HA 0.479 4.649 4.170 0.000 0.000 0.300 440 I C 0.512 176.721 176.117 0.154 0.000 1.159 440 I CA -1.355 60.026 61.300 0.136 0.000 1.339 440 I CB -0.019 38.009 38.000 0.048 0.000 1.458 440 I HN 0.405 nan 8.210 nan 0.000 0.577 441 L N 8.147 129.443 121.223 0.121 0.000 2.401 441 L HA 0.316 4.656 4.340 0.000 0.000 0.283 441 L C 0.059 176.659 176.870 -0.451 0.000 1.151 441 L CA 0.215 55.035 54.840 -0.032 0.000 0.942 441 L CB -0.305 41.781 42.059 0.045 0.000 1.283 441 L HN 0.958 nan 8.230 nan 0.000 0.442 442 C N 2.821 121.998 119.300 -0.206 0.000 2.814 442 C HA 0.555 5.015 4.460 0.000 0.000 0.269 442 C C -2.612 172.436 174.990 0.096 0.000 1.090 442 C CA -2.209 56.712 59.018 -0.162 0.000 1.492 442 C CB 0.350 28.122 27.740 0.054 0.000 1.825 442 C HN 0.560 nan 8.230 nan 0.000 0.442 443 P HA 0.170 nan 4.420 nan 0.000 0.256 443 P C 0.713 178.199 177.300 0.309 0.000 1.689 443 P CA 0.189 63.375 63.100 0.144 0.000 1.124 443 P CB -0.346 31.411 31.700 0.095 0.000 1.766 444 W N 2.116 123.527 121.300 0.186 0.000 2.868 444 W HA 0.364 5.024 4.660 0.000 0.000 0.320 444 W C -0.982 175.683 176.519 0.243 0.000 1.076 444 W CA -0.359 57.123 57.345 0.228 0.000 1.576 444 W CB -0.426 29.190 29.460 0.261 0.000 1.030 444 W HN 0.026 nan 8.180 nan 0.000 0.558 445 F N 3.227 122.939 119.950 -0.398 0.000 2.411 445 F HA 0.606 5.133 4.527 0.000 0.000 0.350 445 F C -0.011 175.696 175.800 -0.155 0.000 1.114 445 F CA -0.538 57.129 58.000 -0.554 0.000 1.135 445 F CB 1.016 39.445 39.000 -0.951 0.000 1.120 445 F HN -0.057 nan 8.300 nan 0.000 0.495 446 A N 4.380 127.143 122.820 -0.094 0.000 2.356 446 A HA 0.525 4.845 4.320 0.000 0.000 0.310 446 A C -0.366 177.148 177.584 -0.117 0.000 1.075 446 A CA -0.683 51.332 52.037 -0.037 0.000 0.746 446 A CB 1.213 20.219 19.000 0.010 0.000 1.221 446 A HN 0.727 nan 8.150 nan 0.000 0.443 447 S N 1.293 116.987 115.700 -0.009 0.000 2.558 447 S HA 0.083 4.553 4.470 0.000 0.000 0.287 447 S C 1.737 176.311 174.600 -0.042 0.000 1.321 447 S CA 0.331 58.525 58.200 -0.010 0.000 1.048 447 S CB 0.229 63.445 63.200 0.028 0.000 0.844 447 S HN 1.693 nan 8.310 nan 0.000 0.512 448 S N 3.150 118.825 115.700 -0.042 0.000 2.374 448 S HA -0.247 4.223 4.470 0.000 0.000 0.227 448 S C 1.702 176.277 174.600 -0.042 0.000 1.037 448 S CA 1.587 59.763 58.200 -0.041 0.000 1.024 448 S CB -0.885 62.296 63.200 -0.032 0.000 0.861 448 S HN 0.906 nan 8.310 nan 0.000 0.456 449 E N 1.687 121.862 120.200 -0.043 0.000 2.068 449 E HA -0.308 4.042 4.350 0.000 0.000 0.207 449 E C 1.433 177.987 176.600 -0.078 0.000 1.032 449 E CA 2.034 58.400 56.400 -0.058 0.000 0.839 449 E CB -0.390 29.283 29.700 -0.046 0.000 0.758 449 E HN 0.558 nan 8.360 nan 0.000 0.457 450 D N 0.145 120.509 120.400 -0.061 0.000 2.178 450 D HA -0.134 4.506 4.640 0.000 0.000 0.201 450 D C 2.211 178.475 176.300 -0.061 0.000 0.980 450 D CA 0.766 54.725 54.000 -0.069 0.000 0.842 450 D CB -0.202 40.573 40.800 -0.042 0.000 0.948 450 D HN 0.291 nan 8.370 nan 0.000 0.472 451 L N 0.682 121.880 121.223 -0.042 0.000 2.083 451 L HA -0.156 4.184 4.340 0.000 0.000 0.209 451 L C 2.595 179.449 176.870 -0.027 0.000 1.083 451 L CA 0.987 55.813 54.840 -0.023 0.000 0.752 451 L CB -0.293 41.754 42.059 -0.020 0.000 0.899 451 L HN -0.098 nan 8.230 nan 0.000 0.433 452 R N 0.072 120.542 120.500 -0.050 0.000 2.080 452 R HA -0.172 4.168 4.340 0.000 0.000 0.236 452 R C 2.251 178.483 176.300 -0.114 0.000 1.137 452 R CA 1.574 57.631 56.100 -0.072 0.000 0.943 452 R CB -1.196 29.053 30.300 -0.084 0.000 0.846 452 R HN 0.276 nan 8.270 nan 0.000 0.431 453 L N 1.464 122.598 121.223 -0.148 0.000 2.141 453 L HA -0.136 4.204 4.340 0.000 0.000 0.209 453 L C 2.398 179.168 176.870 -0.166 0.000 1.094 453 L CA 1.716 56.432 54.840 -0.207 0.000 0.763 453 L CB -0.562 41.320 42.059 -0.296 0.000 0.908 453 L HN 0.067 nan 8.230 nan 0.000 0.437 454 Q N -0.019 119.721 119.800 -0.099 0.000 2.030 454 Q HA -0.226 4.114 4.340 0.000 0.000 0.204 454 Q C 2.083 178.138 176.000 0.092 0.000 0.986 454 Q CA 2.055 57.827 55.803 -0.050 0.000 0.843 454 Q CB -0.248 28.510 28.738 0.033 0.000 0.904 454 Q HN 0.542 nan 8.270 nan 0.000 0.420 455 E N -0.451 119.818 120.200 0.114 0.000 2.065 455 E HA -0.201 4.149 4.350 0.000 0.000 0.201 455 E C 2.081 178.630 176.600 -0.085 0.000 1.016 455 E CA 1.724 58.154 56.400 0.050 0.000 0.818 455 E CB -0.611 29.051 29.700 -0.062 0.000 0.749 455 E HN 0.315 nan 8.360 nan 0.000 0.453 456 V N 1.610 121.424 119.914 -0.167 0.000 2.261 456 V HA -0.284 3.836 4.120 0.000 0.000 0.246 456 V C 2.603 178.559 176.094 -0.230 0.000 1.047 456 V CA 2.064 64.219 62.300 -0.242 0.000 1.015 456 V CB -0.575 31.111 31.823 -0.229 0.000 0.642 456 V HN 0.261 nan 8.190 nan 0.000 0.446 457 M N -0.807 118.673 119.600 -0.200 0.000 2.103 457 M HA -0.296 4.184 4.480 0.000 0.000 0.255 457 M C 2.329 178.501 176.300 -0.213 0.000 1.074 457 M CA 2.205 57.380 55.300 -0.210 0.000 1.090 457 M CB -0.525 31.933 32.600 -0.237 0.000 1.325 457 M HN 0.460 nan 8.290 nan 0.000 0.403 458 H N 0.297 119.282 119.070 -0.142 0.000 2.265 458 H HA -0.205 4.351 4.556 0.000 0.000 0.293 458 H C 2.111 177.326 175.328 -0.187 0.000 1.089 458 H CA 2.304 58.272 56.048 -0.133 0.000 1.244 458 H CB -0.964 28.722 29.762 -0.127 0.000 1.355 458 H HN 0.454 nan 8.280 nan 0.000 0.485 459 L N 0.243 121.370 121.223 -0.160 0.000 2.079 459 L HA -0.163 4.177 4.340 0.000 0.000 0.210 459 L C 2.774 179.251 176.870 -0.656 0.000 1.081 459 L CA 0.783 55.379 54.840 -0.407 0.000 0.752 459 L CB -0.524 41.197 42.059 -0.563 0.000 0.896 459 L HN 0.054 nan 8.230 nan 0.000 0.433 460 V N -0.437 119.187 119.914 -0.484 0.000 2.358 460 V HA -0.242 3.878 4.120 0.000 0.000 0.246 460 V C 1.968 178.032 176.094 -0.049 0.000 1.047 460 V CA 2.008 64.087 62.300 -0.368 0.000 1.035 460 V CB -0.809 30.863 31.823 -0.251 0.000 0.658 460 V HN 0.470 nan 8.190 nan 0.000 0.452 461 N N -0.377 118.311 118.700 -0.021 0.000 2.519 461 N HA -0.005 4.735 4.740 0.000 0.000 0.186 461 N C 0.543 176.120 175.510 0.112 0.000 1.062 461 N CA 0.268 53.360 53.050 0.069 0.000 0.910 461 N CB -0.210 38.292 38.487 0.026 0.000 0.958 461 N HN 0.475 nan 8.380 nan 0.000 0.445 462 I N 0.787 121.432 120.570 0.126 0.000 2.270 462 I HA -0.015 4.156 4.170 0.000 0.000 0.300 462 I C 0.232 176.544 176.117 0.324 0.000 1.186 462 I CA -0.136 61.289 61.300 0.209 0.000 1.431 462 I CB 0.206 38.331 38.000 0.210 0.000 1.485 462 I HN -0.012 nan 8.210 nan 0.000 0.650 463 S N 4.112 119.945 115.700 0.222 0.000 2.519 463 S HA -0.008 4.462 4.470 0.000 0.000 0.310 463 S C 1.377 176.051 174.600 0.123 0.000 1.201 463 S CA 0.581 58.895 58.200 0.191 0.000 1.179 463 S CB -0.249 63.028 63.200 0.129 0.000 1.104 463 S HN 0.977 nan 8.310 nan 0.000 0.527 464 S N 2.974 118.731 115.700 0.095 0.000 2.409 464 S HA -0.312 4.158 4.470 0.000 0.000 0.235 464 S C 0.230 174.829 174.600 -0.001 0.000 1.289 464 S CA 1.682 59.886 58.200 0.005 0.000 1.702 464 S CB -1.641 61.567 63.200 0.014 0.000 2.277 464 S HN 0.795 nan 8.310 nan 0.000 0.660 465 N N 1.852 120.570 118.700 0.030 0.000 2.426 465 N HA 0.308 5.048 4.740 0.000 0.000 0.275 465 N C 1.411 176.943 175.510 0.036 0.000 1.019 465 N CA 0.560 53.626 53.050 0.026 0.000 0.941 465 N CB 1.794 40.297 38.487 0.026 0.000 1.123 465 N HN 0.583 nan 8.380 nan 0.000 0.486 466 T N 1.062 115.633 114.554 0.029 0.000 2.778 466 T HA -0.199 4.151 4.350 0.000 0.000 0.269 466 T C 1.786 176.513 174.700 0.046 0.000 1.050 466 T CA 1.328 63.452 62.100 0.039 0.000 1.137 466 T CB -0.246 68.644 68.868 0.036 0.000 0.860 466 T HN 0.514 nan 8.240 nan 0.000 0.468 467 A N 1.602 124.445 122.820 0.039 0.000 2.131 467 A HA 0.333 4.653 4.320 0.000 0.000 0.220 467 A C 2.762 180.367 177.584 0.034 0.000 1.158 467 A CA 1.608 53.666 52.037 0.035 0.000 0.665 467 A CB -1.231 17.787 19.000 0.030 0.000 0.795 467 A HN 0.795 nan 8.150 nan 0.000 0.460 468 A N 0.024 122.869 122.820 0.042 0.000 1.933 468 A HA 0.137 4.457 4.320 0.000 0.000 0.218 468 A C 2.471 180.071 177.584 0.028 0.000 1.175 468 A CA 1.898 53.959 52.037 0.040 0.000 0.628 468 A CB -0.937 18.099 19.000 0.059 0.000 0.814 468 A HN 1.080 nan 8.150 nan 0.000 0.444 469 A N -0.354 122.484 122.820 0.030 0.000 1.940 469 A HA -0.087 4.233 4.320 0.000 0.000 0.219 469 A C 2.125 179.703 177.584 -0.009 0.000 1.176 469 A CA 1.724 53.763 52.037 0.003 0.000 0.631 469 A CB -0.639 18.378 19.000 0.028 0.000 0.814 469 A HN 0.745 nan 8.150 nan 0.000 0.446 470 L N 0.828 122.058 121.223 0.012 0.000 1.990 470 L HA -0.115 4.225 4.340 0.000 0.000 0.213 470 L C -0.325 176.548 176.870 0.005 0.000 1.072 470 L CA 2.770 57.618 54.840 0.014 0.000 0.755 470 L CB -1.060 41.014 42.059 0.026 0.000 0.889 470 L HN 0.253 nan 8.230 nan 0.000 0.432 471 P HA -0.243 nan 4.420 nan 0.000 0.216 471 P C 2.078 179.368 177.300 -0.016 0.000 1.153 471 P CA 1.744 64.842 63.100 -0.003 0.000 0.858 471 P CB -0.145 31.555 31.700 -0.001 0.000 0.789 472 L N -0.193 121.011 121.223 -0.032 0.000 1.994 472 L HA -0.115 4.225 4.340 0.000 0.000 0.208 472 L C 2.683 179.521 176.870 -0.053 0.000 1.071 472 L CA 1.574 56.380 54.840 -0.056 0.000 0.745 472 L CB -1.152 40.850 42.059 -0.094 0.000 0.892 472 L HN -0.211 nan 8.230 nan 0.000 0.431 473 V N -0.529 119.354 119.914 -0.051 0.000 2.490 473 V HA -0.265 3.855 4.120 0.000 0.000 0.250 473 V C 2.568 178.669 176.094 0.011 0.000 1.061 473 V CA 1.941 64.232 62.300 -0.015 0.000 1.064 473 V CB -0.138 31.685 31.823 0.001 0.000 0.670 473 V HN 0.625 nan 8.190 nan 0.000 0.461 474 E N 0.570 120.775 120.200 0.008 0.000 2.051 474 E HA -0.151 4.199 4.350 0.000 0.000 0.192 474 E C 2.151 178.751 176.600 -0.000 0.000 0.991 474 E CA 1.807 58.217 56.400 0.017 0.000 0.799 474 E CB -0.566 29.143 29.700 0.015 0.000 0.748 474 E HN 0.607 nan 8.360 nan 0.000 0.449 475 A N 0.227 123.039 122.820 -0.014 0.000 1.933 475 A HA -0.130 4.190 4.320 0.000 0.000 0.218 475 A C 2.274 179.832 177.584 -0.044 0.000 1.175 475 A CA 1.360 53.379 52.037 -0.029 0.000 0.628 475 A CB -0.697 18.284 19.000 -0.030 0.000 0.814 475 A HN 0.327 nan 8.150 nan 0.000 0.444 476 L N -0.484 120.719 121.223 -0.032 0.000 2.141 476 L HA -0.140 4.200 4.340 0.000 0.000 0.209 476 L C 2.760 179.591 176.870 -0.064 0.000 1.094 476 L CA 1.275 56.096 54.840 -0.033 0.000 0.763 476 L CB -0.370 41.701 42.059 0.020 0.000 0.908 476 L HN 0.307 nan 8.230 nan 0.000 0.437 477 S N -0.612 115.062 115.700 -0.044 0.000 2.368 477 S HA -0.150 4.320 4.470 0.000 0.000 0.224 477 S C 2.060 176.513 174.600 -0.245 0.000 1.029 477 S CA 1.761 59.915 58.200 -0.076 0.000 0.988 477 S CB -0.343 62.902 63.200 0.076 0.000 0.838 477 S HN 0.556 nan 8.310 nan 0.000 0.462 478 T N 2.521 116.983 114.554 -0.152 0.000 2.708 478 T HA -0.027 4.323 4.350 0.000 0.000 0.266 478 T C 1.789 176.359 174.700 -0.217 0.000 1.037 478 T CA 0.941 62.932 62.100 -0.181 0.000 1.146 478 T CB -0.729 68.086 68.868 -0.088 0.000 0.865 478 T HN 0.220 nan 8.240 nan 0.000 0.435 479 L N 0.316 121.442 121.223 -0.161 0.000 2.013 479 L HA -0.105 4.235 4.340 0.000 0.000 0.212 479 L C 2.502 179.263 176.870 -0.181 0.000 1.073 479 L CA 1.462 56.217 54.840 -0.143 0.000 0.753 479 L CB -0.421 41.574 42.059 -0.107 0.000 0.890 479 L HN 0.230 nan 8.230 nan 0.000 0.432 480 L N -0.006 121.072 121.223 -0.242 0.000 2.017 480 L HA -0.257 4.083 4.340 0.000 0.000 0.208 480 L C 2.728 179.278 176.870 -0.534 0.000 1.073 480 L CA 1.885 56.545 54.840 -0.300 0.000 0.745 480 L CB -0.696 41.208 42.059 -0.258 0.000 0.894 480 L HN 0.217 nan 8.230 nan 0.000 0.432 481 R N -1.042 118.923 120.500 -0.891 0.000 2.083 481 R HA -0.185 4.155 4.340 0.000 0.000 0.237 481 R C 2.476 178.498 176.300 -0.462 0.000 1.137 481 R CA 1.753 57.196 56.100 -1.095 0.000 0.951 481 R CB -0.607 29.030 30.300 -1.105 0.000 0.851 481 R HN 0.513 nan 8.270 nan 0.000 0.434 482 S N -0.098 115.427 115.700 -0.291 0.000 2.419 482 S HA -0.083 4.387 4.470 0.000 0.000 0.233 482 S C 1.907 176.447 174.600 -0.099 0.000 1.016 482 S CA 1.263 59.373 58.200 -0.150 0.000 0.974 482 S CB -0.154 62.985 63.200 -0.103 0.000 0.786 482 S HN 0.407 nan 8.310 nan 0.000 0.492 483 V N -1.066 118.795 119.914 -0.088 0.000 2.725 483 V HA 0.225 4.345 4.120 0.000 0.000 0.247 483 V C 1.362 177.472 176.094 0.028 0.000 1.058 483 V CA 0.945 63.253 62.300 0.013 0.000 1.080 483 V CB -1.383 30.520 31.823 0.133 0.000 0.713 483 V HN 0.409 nan 8.190 nan 0.000 0.465 484 T N 3.507 118.060 114.554 -0.001 0.000 2.853 484 T HA 0.260 4.610 4.350 0.000 0.000 0.298 484 T C -2.348 172.381 174.700 0.048 0.000 0.978 484 T CA -0.810 61.343 62.100 0.089 0.000 1.152 484 T CB 0.578 69.503 68.868 0.095 0.000 0.914 484 T HN 0.430 nan 8.240 nan 0.000 0.539 485 P HA 0.384 nan 4.420 nan 0.000 0.256 485 P C -0.938 176.429 177.300 0.111 0.000 1.688 485 P CA -0.090 62.983 63.100 -0.045 0.000 1.162 485 P CB -0.203 31.369 31.700 -0.212 0.000 1.870 486 L N 2.693 123.945 121.223 0.048 0.000 2.465 486 L HA 0.606 4.946 4.340 0.000 0.000 0.257 486 L C -1.464 175.413 176.870 0.012 0.000 0.988 486 L CA -0.886 53.962 54.840 0.014 0.000 0.827 486 L CB 2.501 44.478 42.059 -0.136 0.000 1.397 486 L HN -0.173 nan 8.230 nan 0.000 0.410 487 V N 4.697 124.599 119.914 -0.020 0.000 2.447 487 V HA 0.414 4.534 4.120 0.000 0.000 0.292 487 V C -0.693 175.352 176.094 -0.081 0.000 1.021 487 V CA -0.308 61.980 62.300 -0.020 0.000 0.850 487 V CB 1.649 33.466 31.823 -0.010 0.000 1.005 487 V HN 0.525 nan 8.190 nan 0.000 0.426 488 L N 4.189 125.350 121.223 -0.103 0.000 2.321 488 L HA 0.509 4.849 4.340 0.000 0.000 0.272 488 L C -0.214 176.650 176.870 -0.010 0.000 1.050 488 L CA -0.041 54.673 54.840 -0.210 0.000 0.893 488 L CB 0.740 42.378 42.059 -0.702 0.000 1.272 488 L HN 0.568 nan 8.230 nan 0.000 0.435 489 D N 3.659 124.042 120.400 -0.029 0.000 2.736 489 D HA 0.227 4.867 4.640 0.000 0.000 0.293 489 D C -1.299 174.999 176.300 -0.003 0.000 1.241 489 D CA -1.640 52.367 54.000 0.011 0.000 0.965 489 D CB 1.080 41.882 40.800 0.004 0.000 0.992 489 D HN 0.176 nan 8.370 nan 0.000 0.510 490 P HA -0.267 nan 4.420 nan 0.000 0.216 490 P C 1.525 178.809 177.300 -0.028 0.000 1.154 490 P CA 1.448 64.540 63.100 -0.014 0.000 0.865 490 P CB -0.246 31.460 31.700 0.011 0.000 0.789 491 T N -1.537 113.008 114.554 -0.015 0.000 2.812 491 T HA -0.234 4.116 4.350 0.000 0.000 0.261 491 T C 1.852 176.539 174.700 -0.021 0.000 1.031 491 T CA 1.994 64.083 62.100 -0.018 0.000 1.158 491 T CB -1.921 66.942 68.868 -0.009 0.000 0.836 491 T HN -0.045 nan 8.240 nan 0.000 0.488 492 V N 1.320 121.220 119.914 -0.022 0.000 2.295 492 V HA -0.113 4.007 4.120 0.000 0.000 0.246 492 V C 2.583 178.661 176.094 -0.026 0.000 1.049 492 V CA 1.723 64.010 62.300 -0.023 0.000 1.024 492 V CB -0.968 30.841 31.823 -0.024 0.000 0.648 492 V HN 0.357 nan 8.190 nan 0.000 0.447 493 L N 0.255 121.456 121.223 -0.036 0.000 1.997 493 L HA -0.256 4.084 4.340 0.000 0.000 0.216 493 L C 2.573 179.418 176.870 -0.041 0.000 1.074 493 L CA 2.818 57.633 54.840 -0.042 0.000 0.763 493 L CB -1.104 40.921 42.059 -0.058 0.000 0.890 493 L HN 0.425 nan 8.230 nan 0.000 0.434 494 T N -0.876 113.653 114.554 -0.042 0.000 2.708 494 T HA -0.184 4.166 4.350 0.000 0.000 0.266 494 T C 1.642 176.322 174.700 -0.032 0.000 1.037 494 T CA 1.759 63.834 62.100 -0.042 0.000 1.146 494 T CB -0.609 68.234 68.868 -0.041 0.000 0.865 494 T HN 0.441 nan 8.240 nan 0.000 0.435 495 N N 1.562 120.247 118.700 -0.025 0.000 2.037 495 N HA -0.152 4.588 4.740 0.000 0.000 0.196 495 N C 2.187 177.687 175.510 -0.016 0.000 1.034 495 N CA 1.366 54.405 53.050 -0.018 0.000 0.861 495 N CB -0.386 38.093 38.487 -0.014 0.000 1.039 495 N HN 0.411 nan 8.380 nan 0.000 0.427 496 A N 1.052 123.862 122.820 -0.016 0.000 1.917 496 A HA -0.196 4.124 4.320 0.000 0.000 0.219 496 A C 2.157 179.734 177.584 -0.013 0.000 1.182 496 A CA 1.926 53.957 52.037 -0.010 0.000 0.633 496 A CB -0.962 18.035 19.000 -0.006 0.000 0.819 496 A HN 0.468 nan 8.150 nan 0.000 0.448 497 I N -1.231 119.324 120.570 -0.025 0.000 2.493 497 I HA -0.104 4.066 4.170 0.000 0.000 0.254 497 I C 2.033 178.135 176.117 -0.025 0.000 1.160 497 I CA 1.879 63.161 61.300 -0.030 0.000 1.445 497 I CB -1.636 36.332 38.000 -0.053 0.000 1.086 497 I HN 0.252 nan 8.210 nan 0.000 0.433 498 T N -1.526 113.013 114.554 -0.024 0.000 3.118 498 T HA -0.114 4.236 4.350 0.000 0.000 0.269 498 T C 1.558 176.251 174.700 -0.011 0.000 1.166 498 T CA 1.329 63.418 62.100 -0.018 0.000 1.073 498 T CB -1.553 67.304 68.868 -0.018 0.000 0.884 498 T HN 0.675 nan 8.240 nan 0.000 0.550 499 T N -0.840 113.709 114.554 -0.009 0.000 3.081 499 T HA 0.338 4.688 4.350 0.000 0.000 0.255 499 T C 0.580 175.279 174.700 -0.002 0.000 1.113 499 T CA -0.309 61.789 62.100 -0.004 0.000 1.082 499 T CB -0.461 68.407 68.868 -0.001 0.000 0.939 499 T HN 0.472 nan 8.240 nan 0.000 0.506 500 I N 3.140 123.708 120.570 -0.003 0.000 2.331 500 I HA 0.345 4.515 4.170 0.000 0.000 0.292 500 I C 0.105 176.223 176.117 0.000 0.000 0.998 500 I CA -0.713 60.588 61.300 0.002 0.000 1.267 500 I CB 1.521 39.523 38.000 0.004 0.000 1.386 500 I HN 0.201 nan 8.210 nan 0.000 0.476 501 S N 5.808 121.509 115.700 0.002 0.000 2.475 501 S HA 0.704 5.174 4.470 0.000 0.000 0.298 501 S C -0.536 174.066 174.600 0.003 0.000 1.119 501 S CA -0.713 57.488 58.200 0.001 0.000 1.085 501 S CB 2.097 65.298 63.200 0.001 0.000 1.028 501 S HN 0.506 nan 8.310 nan 0.000 0.489 502 E N 0.641 120.843 120.200 0.003 0.000 2.430 502 E HA 0.330 4.680 4.350 0.000 0.000 0.279 502 E C -1.171 175.431 176.600 0.004 0.000 1.003 502 E CA -0.681 55.722 56.400 0.005 0.000 0.801 502 E CB 2.051 31.756 29.700 0.008 0.000 1.313 502 E HN 0.631 nan 8.360 nan 0.000 0.459 503 S N 0.509 116.212 115.700 0.004 0.000 2.555 503 S HA -0.018 4.452 4.470 0.000 0.000 0.293 503 S C 1.493 176.096 174.600 0.004 0.000 1.248 503 S CA 0.704 58.906 58.200 0.003 0.000 1.096 503 S CB -0.026 63.176 63.200 0.003 0.000 0.881 503 S HN 0.570 nan 8.310 nan 0.000 0.498 504 T N 2.046 116.602 114.554 0.002 0.000 2.869 504 T HA -0.208 4.142 4.350 0.000 0.000 0.270 504 T C 1.972 176.674 174.700 0.003 0.000 1.082 504 T CA 1.876 63.978 62.100 0.002 0.000 1.123 504 T CB -1.286 67.583 68.868 0.001 0.000 0.856 504 T HN 0.824 nan 8.240 nan 0.000 0.499 505 T N -0.739 113.817 114.554 0.003 0.000 2.778 505 T HA -0.127 4.223 4.350 0.000 0.000 0.269 505 T C 0.963 175.666 174.700 0.005 0.000 1.050 505 T CA 0.723 62.825 62.100 0.003 0.000 1.137 505 T CB -0.495 68.375 68.868 0.002 0.000 0.860 505 T HN 0.352 nan 8.240 nan 0.000 0.468 506 Q N 2.440 122.244 119.800 0.006 0.000 2.295 506 Q HA 0.238 4.578 4.340 0.000 0.000 0.259 506 Q C 1.662 177.669 176.000 0.011 0.000 0.976 506 Q CA 0.454 56.262 55.803 0.009 0.000 0.923 506 Q CB 1.237 29.982 28.738 0.012 0.000 1.185 506 Q HN 0.678 nan 8.270 nan 0.000 0.410 507 T N -0.675 113.887 114.554 0.012 0.000 2.849 507 T HA -0.134 4.216 4.350 0.000 0.000 0.270 507 T C 1.066 175.778 174.700 0.020 0.000 1.066 507 T CA 0.224 62.332 62.100 0.013 0.000 1.130 507 T CB -0.055 68.821 68.868 0.013 0.000 0.864 507 T HN 0.401 nan 8.240 nan 0.000 0.481 508 I N 2.581 123.167 120.570 0.026 0.000 2.680 508 I HA 0.206 4.376 4.170 0.000 0.000 0.286 508 I C 0.244 176.387 176.117 0.043 0.000 1.144 508 I CA -0.118 61.206 61.300 0.041 0.000 1.370 508 I CB 0.158 38.186 38.000 0.046 0.000 1.420 508 I HN 0.142 nan 8.210 nan 0.000 0.540 509 S N 9.118 124.845 115.700 0.044 0.000 2.475 509 S HA 0.471 4.941 4.470 0.000 0.000 0.249 509 S C -1.561 173.070 174.600 0.051 0.000 1.298 509 S CA -1.495 56.726 58.200 0.035 0.000 1.125 509 S CB 0.395 63.602 63.200 0.011 0.000 1.054 509 S HN 0.462 nan 8.310 nan 0.000 0.484 510 P HA -0.137 nan 4.420 nan 0.000 0.215 510 P C 1.383 178.591 177.300 -0.153 0.000 1.157 510 P CA 1.181 64.335 63.100 0.090 0.000 0.874 510 P CB 0.051 31.900 31.700 0.249 0.000 0.790 511 I N -0.608 119.898 120.570 -0.107 0.000 2.113 511 I HA -0.308 3.862 4.170 0.000 0.000 0.242 511 I C 2.259 178.304 176.117 -0.119 0.000 1.064 511 I CA 1.934 63.155 61.300 -0.131 0.000 1.320 511 I CB -0.819 37.136 38.000 -0.076 0.000 1.028 511 I HN -0.037 nan 8.210 nan 0.000 0.406 512 S N -0.115 115.543 115.700 -0.070 0.000 2.371 512 S HA -0.152 4.318 4.470 0.000 0.000 0.224 512 S C 1.812 176.377 174.600 -0.058 0.000 1.029 512 S CA 1.067 59.234 58.200 -0.055 0.000 0.978 512 S CB -0.269 62.914 63.200 -0.028 0.000 0.833 512 S HN 0.437 nan 8.310 nan 0.000 0.466 513 E N 1.317 121.488 120.200 -0.048 0.000 2.033 513 E HA -0.189 4.161 4.350 0.000 0.000 0.199 513 E C 1.949 178.514 176.600 -0.057 0.000 1.011 513 E CA 1.671 58.059 56.400 -0.020 0.000 0.815 513 E CB -0.593 29.134 29.700 0.046 0.000 0.755 513 E HN 0.501 nan 8.360 nan 0.000 0.451 514 I N 1.120 121.572 120.570 -0.196 0.000 2.087 514 I HA -0.371 3.799 4.170 0.000 0.000 0.240 514 I C 2.447 178.490 176.117 -0.123 0.000 1.054 514 I CA 1.392 62.570 61.300 -0.204 0.000 1.311 514 I CB -0.761 36.979 38.000 -0.433 0.000 1.024 514 I HN 0.084 nan 8.210 nan 0.000 0.402 515 L N 0.252 121.400 121.223 -0.124 0.000 1.963 515 L HA -0.278 4.062 4.340 0.000 0.000 0.220 515 L C 2.942 179.766 176.870 -0.077 0.000 1.076 515 L CA 1.861 56.643 54.840 -0.097 0.000 0.772 515 L CB -0.808 41.202 42.059 -0.081 0.000 0.892 515 L HN 0.218 nan 8.230 nan 0.000 0.435 516 R N -0.135 120.331 120.500 -0.055 0.000 2.117 516 R HA -0.177 4.163 4.340 0.000 0.000 0.243 516 R C 2.301 178.584 176.300 -0.030 0.000 1.143 516 R CA 1.239 57.317 56.100 -0.037 0.000 0.968 516 R CB -0.527 29.760 30.300 -0.022 0.000 0.863 516 R HN 0.349 nan 8.270 nan 0.000 0.444 517 L N 0.666 121.879 121.223 -0.017 0.000 2.141 517 L HA -0.137 4.203 4.340 0.000 0.000 0.209 517 L C 2.026 178.834 176.870 -0.103 0.000 1.094 517 L CA 0.974 55.811 54.840 -0.004 0.000 0.763 517 L CB -0.173 41.959 42.059 0.121 0.000 0.908 517 L HN 0.220 nan 8.230 nan 0.000 0.437 518 L N -0.645 120.489 121.223 -0.148 0.000 2.622 518 L HA -0.092 4.248 4.340 0.000 0.000 0.233 518 L C 0.284 177.068 176.870 -0.142 0.000 1.156 518 L CA 0.036 54.756 54.840 -0.200 0.000 0.866 518 L CB -0.584 41.359 42.059 -0.193 0.000 0.980 518 L HN 0.362 nan 8.230 nan 0.000 0.448 519 Q N -1.512 118.227 119.800 -0.102 0.000 2.448 519 Q HA -0.167 4.173 4.340 0.000 0.000 0.356 519 Q C -2.127 173.821 176.000 -0.087 0.000 1.430 519 Q CA -0.365 55.389 55.803 -0.081 0.000 1.011 519 Q CB -1.544 27.150 28.738 -0.074 0.000 1.203 519 Q HN 0.207 nan 8.270 nan 0.000 0.351 520 P HA -0.114 nan 4.420 nan 0.000 0.250 520 P C -0.052 177.201 177.300 -0.079 0.000 1.161 520 P CA 1.213 64.268 63.100 -0.075 0.000 0.863 520 P CB 0.293 31.957 31.700 -0.060 0.000 0.827 521 M N 1.001 120.538 119.600 -0.105 0.000 1.778 521 M HA 0.173 4.653 4.480 0.000 0.000 0.200 521 M C 1.598 177.796 176.300 -0.171 0.000 1.294 521 M CA 0.641 55.866 55.300 -0.125 0.000 0.913 521 M CB 0.002 32.519 32.600 -0.138 0.000 1.645 521 M HN 0.416 nan 8.290 nan 0.000 0.598 522 G N 2.265 110.902 108.800 -0.272 0.000 2.175 522 G HA2 -0.318 3.642 3.960 0.000 0.000 0.265 522 G HA3 -0.318 3.642 3.960 0.000 0.000 0.265 522 G C 0.316 174.849 174.900 -0.611 0.000 0.979 522 G CA 1.209 46.055 45.100 -0.423 0.000 0.663 522 G HN 0.629 nan 8.290 nan 0.000 0.533 523 N N 0.794 119.215 118.700 -0.466 0.000 2.463 523 N HA 0.002 4.742 4.740 0.000 0.000 0.183 523 N C 1.497 176.835 175.510 -0.287 0.000 1.064 523 N CA 1.140 54.002 53.050 -0.314 0.000 0.879 523 N CB -0.640 37.761 38.487 -0.144 0.000 1.148 523 N HN 0.436 nan 8.380 nan 0.000 0.451 524 D N 0.519 120.724 120.400 -0.325 0.000 2.369 524 D HA -0.285 4.355 4.640 0.000 0.000 0.213 524 D C 0.841 177.107 176.300 -0.056 0.000 0.982 524 D CA 0.706 54.595 54.000 -0.184 0.000 0.931 524 D CB -0.831 39.852 40.800 -0.195 0.000 0.889 524 D HN 0.505 nan 8.370 nan 0.000 0.487 525 Y N 1.260 121.585 120.300 0.041 0.000 2.446 525 Y HA -0.196 4.354 4.550 0.000 0.000 0.287 525 Y C 3.020 178.878 175.900 -0.071 0.000 1.159 525 Y CA 0.317 58.398 58.100 -0.032 0.000 1.297 525 Y CB -0.407 38.062 38.460 0.016 0.000 0.974 525 Y HN 0.091 nan 8.280 nan 0.000 0.557 526 A N 1.049 124.015 122.820 0.243 0.000 1.929 526 A HA -0.373 3.947 4.320 0.000 0.000 0.221 526 A C 2.471 180.121 177.584 0.110 0.000 1.211 526 A CA 2.405 54.575 52.037 0.221 0.000 0.657 526 A CB -1.284 17.802 19.000 0.143 0.000 0.827 526 A HN 0.499 nan 8.150 nan 0.000 0.462 527 A N -1.777 121.079 122.820 0.062 0.000 1.972 527 A HA 0.015 4.335 4.320 0.000 0.000 0.219 527 A C 2.022 179.599 177.584 -0.012 0.000 1.169 527 A CA 1.800 53.858 52.037 0.035 0.000 0.635 527 A CB -0.590 18.438 19.000 0.047 0.000 0.810 527 A HN 0.843 nan 8.150 nan 0.000 0.446 528 F N -0.896 118.940 119.950 -0.190 0.000 2.118 528 F HA -0.000 4.527 4.527 0.000 0.000 0.293 528 F C 1.951 177.563 175.800 -0.314 0.000 1.102 528 F CA 0.556 58.360 58.000 -0.328 0.000 1.247 528 F CB -1.079 37.601 39.000 -0.533 0.000 1.017 528 F HN 0.379 nan 8.300 nan 0.000 0.475 529 W N 1.284 122.240 121.300 -0.574 0.000 2.304 529 W HA -0.245 4.415 4.660 0.000 0.000 0.315 529 W C 2.525 178.828 176.519 -0.360 0.000 1.233 529 W CA 1.433 58.471 57.345 -0.512 0.000 1.261 529 W CB -0.627 28.685 29.460 -0.247 0.000 1.150 529 W HN -0.052 nan 8.180 nan 0.000 0.494 530 K N -0.336 120.062 120.400 -0.003 0.000 2.074 530 K HA -0.237 4.083 4.320 0.000 0.000 0.209 530 K C 1.913 178.410 176.600 -0.170 0.000 1.048 530 K CA 1.993 58.252 56.287 -0.046 0.000 0.926 530 K CB -0.743 31.755 32.500 -0.003 0.000 0.713 530 K HN 0.202 nan 8.250 nan 0.000 0.444 531 C N 0.693 119.817 119.300 -0.294 0.000 2.386 531 C HA -0.172 4.288 4.460 0.000 0.000 0.279 531 C C 2.460 176.820 174.990 -1.051 0.000 1.208 531 C CA 0.734 59.438 59.018 -0.522 0.000 1.747 531 C CB -0.925 26.577 27.740 -0.396 0.000 2.046 531 C HN 0.424 nan 8.230 nan 0.000 0.453 532 I N 1.862 121.767 120.570 -1.108 0.000 2.087 532 I HA -0.319 3.851 4.170 0.000 0.000 0.240 532 I C 2.819 178.775 176.117 -0.269 0.000 1.054 532 I CA 2.081 62.797 61.300 -0.974 0.000 1.311 532 I CB -0.858 36.884 38.000 -0.430 0.000 1.024 532 I HN 0.354 nan 8.210 nan 0.000 0.402 533 A N 0.747 123.482 122.820 -0.142 0.000 1.927 533 A HA -0.305 4.015 4.320 0.000 0.000 0.220 533 A C 2.477 180.133 177.584 0.120 0.000 1.185 533 A CA 2.719 54.772 52.037 0.028 0.000 0.639 533 A CB -1.102 17.929 19.000 0.053 0.000 0.820 533 A HN 0.594 nan 8.150 nan 0.000 0.451 534 S N -1.396 114.324 115.700 0.033 0.000 2.442 534 S HA -0.175 4.295 4.470 0.000 0.000 0.236 534 S C 1.724 176.453 174.600 0.215 0.000 1.007 534 S CA 1.051 59.328 58.200 0.127 0.000 0.965 534 S CB -0.732 62.504 63.200 0.061 0.000 0.773 534 S HN 0.693 nan 8.310 nan 0.000 0.504 535 W N 1.689 123.048 121.300 0.099 0.000 2.392 535 W HA 0.175 4.835 4.660 0.000 0.000 0.279 535 W C 2.639 179.160 176.519 0.004 0.000 1.225 535 W CA 0.503 57.876 57.345 0.046 0.000 1.233 535 W CB -1.157 28.352 29.460 0.081 0.000 1.122 535 W HN 0.519 nan 8.180 nan 0.000 0.561 536 A N -1.359 121.551 122.820 0.150 0.000 2.208 536 A HA -0.009 4.311 4.320 0.000 0.000 0.209 536 A C 0.459 177.809 177.584 -0.389 0.000 1.161 536 A CA 0.669 52.587 52.037 -0.199 0.000 0.782 536 A CB -0.783 17.910 19.000 -0.511 0.000 0.816 536 A HN 0.352 nan 8.150 nan 0.000 0.477 537 Y N -0.141 120.244 120.300 0.142 0.000 2.666 537 Y HA 0.101 4.651 4.550 0.000 0.000 0.264 537 Y C 1.469 177.460 175.900 0.153 0.000 1.054 537 Y CA -0.532 57.647 58.100 0.133 0.000 1.121 537 Y CB 0.089 38.632 38.460 0.139 0.000 1.190 537 Y HN 0.442 nan 8.280 nan 0.000 0.587 538 N N 0.356 119.220 118.700 0.273 0.000 2.289 538 N HA -0.124 4.616 4.740 0.000 0.000 0.184 538 N C 1.784 177.387 175.510 0.156 0.000 1.016 538 N CA 1.402 54.613 53.050 0.269 0.000 0.872 538 N CB -0.556 38.179 38.487 0.414 0.000 0.973 538 N HN 0.498 nan 8.380 nan 0.000 0.433 539 G N -0.161 108.663 108.800 0.040 0.000 2.527 539 G HA2 -0.016 3.944 3.960 0.000 0.000 0.219 539 G HA3 -0.016 3.944 3.960 0.000 0.000 0.219 539 G C 1.301 176.349 174.900 0.247 0.000 1.117 539 G CA 0.820 45.872 45.100 -0.080 0.000 0.759 539 G HN 0.430 nan 8.290 nan 0.000 0.556 540 L N -1.929 119.488 121.223 0.324 0.000 3.160 540 L HA 0.223 4.563 4.340 0.000 0.000 0.335 540 L C -0.546 176.478 176.870 0.255 0.000 1.008 540 L CA 0.045 55.096 54.840 0.352 0.000 1.459 540 L CB 1.002 43.347 42.059 0.477 0.000 2.451 540 L HN -0.085 nan 8.230 nan 0.000 0.588 541 V N 0.990 121.052 119.914 0.246 0.000 2.370 541 V HA 0.537 4.657 4.120 0.000 0.000 0.283 541 V C -0.038 176.180 176.094 0.207 0.000 1.023 541 V CA -0.238 62.170 62.300 0.181 0.000 0.857 541 V CB 1.144 33.031 31.823 0.106 0.000 0.985 541 V HN 0.331 nan 8.190 nan 0.000 0.443 542 T N 0.357 115.016 114.554 0.174 0.000 2.887 542 T HA 0.625 4.975 4.350 0.000 0.000 0.288 542 T C -0.168 174.626 174.700 0.155 0.000 1.021 542 T CA -0.643 61.568 62.100 0.185 0.000 1.000 542 T CB 1.765 70.749 68.868 0.193 0.000 1.034 542 T HN 0.695 nan 8.240 nan 0.000 0.467 543 T N 0.280 114.932 114.554 0.163 0.000 2.733 543 T HA 0.594 4.944 4.350 0.000 0.000 0.294 543 T C 0.315 175.119 174.700 0.174 0.000 0.956 543 T CA -0.757 61.425 62.100 0.137 0.000 0.987 543 T CB 0.204 69.123 68.868 0.085 0.000 0.920 543 T HN 1.090 nan 8.240 nan 0.000 0.470 544 V N 1.940 121.952 119.914 0.164 0.000 2.581 544 V HA 0.682 4.802 4.120 0.000 0.000 0.303 544 V C -0.053 176.149 176.094 0.180 0.000 1.041 544 V CA -1.464 60.947 62.300 0.185 0.000 0.907 544 V CB 1.404 33.340 31.823 0.188 0.000 0.994 544 V HN 0.844 nan 8.190 nan 0.000 0.442 545 L N 4.092 125.439 121.223 0.207 0.000 2.385 545 L HA 0.478 4.818 4.340 0.000 0.000 0.281 545 L C 0.644 177.645 176.870 0.217 0.000 1.106 545 L CA 1.045 56.012 54.840 0.213 0.000 0.856 545 L CB 0.802 43.003 42.059 0.236 0.000 1.186 545 L HN 1.064 nan 8.230 nan 0.000 0.453 546 S N 3.077 118.897 115.700 0.200 0.000 2.651 546 S HA 0.257 4.727 4.470 0.000 0.000 0.291 546 S C 0.581 175.324 174.600 0.239 0.000 1.141 546 S CA -0.643 57.672 58.200 0.191 0.000 1.027 546 S CB 1.085 64.370 63.200 0.141 0.000 1.043 546 S HN 0.755 nan 8.310 nan 0.000 0.530 547 E N 1.440 121.759 120.200 0.199 0.000 2.441 547 E HA 0.002 4.352 4.350 0.000 0.000 0.210 547 E C 0.068 176.764 176.600 0.160 0.000 1.306 547 E CA 0.220 56.727 56.400 0.178 0.000 1.307 547 E CB -0.205 29.495 29.700 0.000 0.000 1.297 547 E HN 0.751 nan 8.360 nan 0.000 0.440 548 D N -0.951 119.568 120.400 0.198 0.000 2.844 548 D HA -0.002 4.638 4.640 0.000 0.000 0.271 548 D C 1.215 177.647 176.300 0.220 0.000 1.386 548 D CA 0.070 54.170 54.000 0.167 0.000 1.053 548 D CB -0.258 40.612 40.800 0.117 0.000 1.107 548 D HN 0.025 nan 8.370 nan 0.000 0.395 549 A N -0.492 122.459 122.820 0.219 0.000 2.478 549 A HA 0.205 4.525 4.320 0.000 0.000 0.239 549 A C -0.451 177.297 177.584 0.274 0.000 1.480 549 A CA -0.243 51.946 52.037 0.254 0.000 1.308 549 A CB -1.736 17.398 19.000 0.223 0.000 0.899 549 A HN 0.394 nan 8.150 nan 0.000 0.600 550 F N 1.093 121.128 119.950 0.142 0.000 2.436 550 F HA 0.472 4.999 4.527 0.000 0.000 0.340 550 F C -2.023 173.832 175.800 0.091 0.000 1.113 550 F CA -2.789 55.280 58.000 0.115 0.000 1.022 550 F CB 1.573 40.632 39.000 0.098 0.000 1.128 550 F HN 0.057 nan 8.300 nan 0.000 0.466 551 P HA -0.117 nan 4.420 nan 0.000 0.247 551 P C -0.202 177.283 177.300 0.307 0.000 1.141 551 P CA 0.658 63.808 63.100 0.084 0.000 0.858 551 P CB 0.381 32.030 31.700 -0.085 0.000 0.804 552 D N 2.172 122.708 120.400 0.226 0.000 2.149 552 D HA -0.103 4.537 4.640 0.000 0.000 0.201 552 D C 1.850 178.242 176.300 0.153 0.000 0.972 552 D CA 1.701 55.821 54.000 0.201 0.000 0.835 552 D CB -0.003 40.882 40.800 0.143 0.000 0.966 552 D HN 0.420 nan 8.370 nan 0.000 0.476 553 S N -0.158 115.626 115.700 0.141 0.000 2.461 553 S HA -0.041 4.429 4.470 0.000 0.000 0.228 553 S C 1.582 176.253 174.600 0.118 0.000 1.005 553 S CA 0.967 59.247 58.200 0.134 0.000 0.942 553 S CB 0.541 63.860 63.200 0.200 0.000 0.776 553 S HN 0.151 nan 8.310 nan 0.000 0.514 554 S N 1.055 116.830 115.700 0.125 0.000 4.157 554 S HA -0.490 3.980 4.470 0.000 0.000 0.538 554 S C 0.887 175.504 174.600 0.028 0.000 1.476 554 S CA 2.438 60.689 58.200 0.086 0.000 3.851 554 S CB -1.755 61.514 63.200 0.114 0.000 1.659 554 S HN 0.924 nan 8.310 nan 0.000 0.454 555 Q N -1.036 118.779 119.800 0.024 0.000 1.202 555 Q HA -0.266 4.074 4.340 0.000 0.000 0.374 555 Q C 0.628 176.595 176.000 -0.055 0.000 1.006 555 Q CA 1.398 57.191 55.803 -0.017 0.000 0.589 555 Q CB -1.728 26.987 28.738 -0.038 0.000 4.807 555 Q HN 1.059 nan 8.270 nan 0.000 0.528 556 S N -0.111 115.531 115.700 -0.096 0.000 2.430 556 S HA 0.585 5.055 4.470 0.000 0.000 0.246 556 S C 0.824 175.337 174.600 -0.145 0.000 1.155 556 S CA -0.025 58.110 58.200 -0.108 0.000 1.054 556 S CB 0.100 63.242 63.200 -0.096 0.000 1.154 556 S HN 0.777 nan 8.310 nan 0.000 0.482 557 I N -0.012 120.467 120.570 -0.152 0.000 2.966 557 I HA 0.381 4.551 4.170 0.000 0.000 0.323 557 I C 0.926 176.923 176.117 -0.201 0.000 1.253 557 I CA -0.544 60.652 61.300 -0.173 0.000 1.089 557 I CB -0.291 37.617 38.000 -0.154 0.000 1.812 557 I HN 0.698 nan 8.210 nan 0.000 0.534 558 T N -1.372 113.010 114.554 -0.286 0.000 2.781 558 T HA 0.034 4.384 4.350 0.000 0.000 0.252 558 T C 0.844 175.335 174.700 -0.348 0.000 1.039 558 T CA 0.768 62.640 62.100 -0.380 0.000 1.147 558 T CB -0.390 68.126 68.868 -0.588 0.000 0.865 558 T HN 0.425 nan 8.240 nan 0.000 0.423 559 H N 2.048 121.068 119.070 -0.083 0.000 2.761 559 H HA 0.404 4.960 4.556 0.000 0.000 0.284 559 H C 1.065 176.297 175.328 -0.161 0.000 1.105 559 H CA -1.553 54.442 56.048 -0.089 0.000 1.352 559 H CB 1.046 30.776 29.762 -0.053 0.000 1.423 559 H HN 0.134 nan 8.280 nan 0.000 0.464 560 L N 6.256 127.421 121.223 -0.096 0.000 2.171 560 L HA -0.164 4.176 4.340 0.000 0.000 0.216 560 L C -1.003 175.634 176.870 -0.388 0.000 1.084 560 L CA 1.702 56.372 54.840 -0.284 0.000 0.771 560 L CB -0.851 41.075 42.059 -0.223 0.000 0.890 560 L HN 0.423 nan 8.230 nan 0.000 0.437 561 P HA -0.165 nan 4.420 nan 0.000 0.214 561 P C 1.762 179.032 177.300 -0.050 0.000 1.163 561 P CA 2.245 65.409 63.100 0.108 0.000 0.889 561 P CB -0.154 31.622 31.700 0.127 0.000 0.790 562 S N -1.239 114.418 115.700 -0.071 0.000 2.442 562 S HA -0.139 4.331 4.470 0.000 0.000 0.236 562 S C 1.859 176.305 174.600 -0.256 0.000 1.007 562 S CA 1.175 59.300 58.200 -0.124 0.000 0.965 562 S CB -0.944 62.232 63.200 -0.040 0.000 0.773 562 S HN 0.154 nan 8.310 nan 0.000 0.504 563 M N 0.132 119.498 119.600 -0.390 0.000 2.059 563 M HA -0.140 4.340 4.480 0.000 0.000 0.259 563 M C 2.037 177.812 176.300 -0.874 0.000 1.072 563 M CA 1.729 56.649 55.300 -0.633 0.000 1.117 563 M CB -0.836 31.331 32.600 -0.721 0.000 1.320 563 M HN 0.388 nan 8.290 nan 0.000 0.408 564 W N 1.290 122.172 121.300 -0.696 0.000 2.305 564 W HA -0.237 4.423 4.660 0.000 0.000 0.308 564 W C 2.426 178.074 176.519 -1.452 0.000 1.226 564 W CA 0.643 57.444 57.345 -0.907 0.000 1.253 564 W CB -0.554 28.507 29.460 -0.665 0.000 1.146 564 W HN 0.210 nan 8.180 nan 0.000 0.507 565 K N -0.310 119.580 120.400 -0.850 0.000 2.089 565 K HA -0.258 4.062 4.320 0.000 0.000 0.210 565 K C 1.896 178.296 176.600 -0.332 0.000 1.048 565 K CA 2.062 57.985 56.287 -0.607 0.000 0.926 565 K CB -0.916 31.475 32.500 -0.182 0.000 0.714 565 K HN 0.244 nan 8.250 nan 0.000 0.448 566 C N 0.541 119.665 119.300 -0.293 0.000 2.446 566 C HA -0.062 4.398 4.460 0.000 0.000 0.277 566 C C 2.543 177.555 174.990 0.036 0.000 1.275 566 C CA 0.142 59.113 59.018 -0.078 0.000 1.727 566 C CB -0.739 27.019 27.740 0.030 0.000 2.010 566 C HN 0.460 nan 8.230 nan 0.000 0.486 567 L N 0.294 121.392 121.223 -0.209 0.000 2.187 567 L HA -0.097 4.243 4.340 0.000 0.000 0.213 567 L C 2.080 179.075 176.870 0.209 0.000 1.100 567 L CA 1.859 56.693 54.840 -0.011 0.000 0.765 567 L CB -0.731 41.210 42.059 -0.196 0.000 0.904 567 L HN 0.377 nan 8.230 nan 0.000 0.437 568 F N -1.370 118.636 119.950 0.093 0.000 2.113 568 F HA -0.211 4.316 4.527 0.000 0.000 0.297 568 F C 2.145 178.037 175.800 0.154 0.000 1.103 568 F CA 0.649 58.712 58.000 0.104 0.000 1.248 568 F CB -0.381 38.663 39.000 0.074 0.000 0.999 568 F HN 0.046 nan 8.300 nan 0.000 0.475 569 L N 0.030 121.464 121.223 0.351 0.000 1.961 569 L HA -0.219 4.121 4.340 0.000 0.000 0.210 569 L C 2.489 179.588 176.870 0.381 0.000 1.072 569 L CA 1.846 56.869 54.840 0.305 0.000 0.749 569 L CB -1.455 40.726 42.059 0.202 0.000 0.889 569 L HN 0.093 nan 8.230 nan 0.000 0.432 570 T N 0.631 115.430 114.554 0.408 0.000 2.760 570 T HA -0.204 4.146 4.350 0.000 0.000 0.269 570 T C 1.915 177.011 174.700 0.661 0.000 1.047 570 T CA 1.421 63.838 62.100 0.529 0.000 1.139 570 T CB -0.409 68.713 68.868 0.424 0.000 0.855 570 T HN 0.193 nan 8.240 nan 0.000 0.471 571 L N 0.665 122.187 121.223 0.498 0.000 2.005 571 L HA -0.039 4.301 4.340 0.000 0.000 0.207 571 L C 3.195 180.327 176.870 0.435 0.000 1.072 571 L CA 1.305 56.444 54.840 0.499 0.000 0.744 571 L CB -0.956 41.311 42.059 0.346 0.000 0.895 571 L HN 0.260 nan 8.230 nan 0.000 0.433 572 A N 0.781 123.816 122.820 0.358 0.000 1.865 572 A HA -0.165 4.155 4.320 0.000 0.000 0.217 572 A C 2.423 180.212 177.584 0.342 0.000 1.191 572 A CA 1.955 54.172 52.037 0.300 0.000 0.623 572 A CB -1.498 17.654 19.000 0.254 0.000 0.826 572 A HN 0.444 nan 8.150 nan 0.000 0.444 573 G N 0.337 109.377 108.800 0.400 0.000 2.599 573 G HA2 -0.275 3.685 3.960 0.000 0.000 0.219 573 G HA3 -0.275 3.685 3.960 0.000 0.000 0.219 573 G C -0.254 174.888 174.900 0.403 0.000 1.193 573 G CA 1.467 46.830 45.100 0.437 0.000 0.778 573 G HN 0.511 nan 8.290 nan 0.000 0.589 574 P HA -0.068 nan 4.420 nan 0.000 0.222 574 P C 1.771 179.261 177.300 0.317 0.000 1.142 574 P CA 1.024 64.032 63.100 -0.154 0.000 0.788 574 P CB -0.043 31.332 31.700 -0.543 0.000 0.767 575 M N -1.570 118.350 119.600 0.533 0.000 2.419 575 M HA -0.006 4.474 4.480 0.000 0.000 0.264 575 M C 0.889 177.477 176.300 0.480 0.000 1.082 575 M CA 0.754 56.454 55.300 0.666 0.000 1.119 575 M CB -1.631 31.189 32.600 0.368 0.000 1.398 575 M HN -0.093 nan 8.290 nan 0.000 0.453 576 T N -1.264 113.521 114.554 0.385 0.000 2.901 576 T HA 0.181 4.531 4.350 0.000 0.000 0.301 576 T C 1.101 176.071 174.700 0.450 0.000 1.012 576 T CA -0.103 62.189 62.100 0.320 0.000 1.135 576 T CB 0.559 69.603 68.868 0.293 0.000 0.936 576 T HN 0.398 nan 8.240 nan 0.000 0.539 577 S N 0.884 116.828 115.700 0.407 0.000 2.894 577 S HA -0.027 4.443 4.470 0.000 0.000 0.231 577 S C 0.284 175.178 174.600 0.490 0.000 0.971 577 S CA -0.388 58.160 58.200 0.580 0.000 1.005 577 S CB -0.564 62.909 63.200 0.456 0.000 0.799 577 S HN 0.796 nan 8.310 nan 0.000 0.527 578 D N 2.760 123.400 120.400 0.399 0.000 2.352 578 D HA 0.264 4.904 4.640 0.000 0.000 0.245 578 D C -1.658 174.714 176.300 0.120 0.000 1.224 578 D CA -2.260 51.892 54.000 0.252 0.000 0.879 578 D CB 1.572 42.536 40.800 0.274 0.000 1.057 578 D HN 0.075 nan 8.370 nan 0.000 0.491 579 P HA -0.127 nan 4.420 nan 0.000 0.220 579 P C 0.213 177.333 177.300 -0.300 0.000 1.144 579 P CA 1.274 64.136 63.100 -0.396 0.000 0.800 579 P CB 0.123 31.456 31.700 -0.613 0.000 0.772 580 H N -2.605 116.575 119.070 0.183 0.000 2.551 580 H HA 0.228 4.784 4.556 0.000 0.000 0.271 580 H C 1.877 177.164 175.328 -0.067 0.000 0.984 580 H CA 0.140 56.251 56.048 0.106 0.000 1.164 580 H CB -0.077 29.817 29.762 0.220 0.000 1.437 580 H HN 0.011 nan 8.280 nan 0.000 0.550 581 S N 1.667 117.419 115.700 0.086 0.000 2.370 581 S HA -0.107 4.363 4.470 0.000 0.000 0.226 581 S C -0.427 174.155 174.600 -0.030 0.000 1.033 581 S CA 1.362 59.659 58.200 0.162 0.000 1.011 581 S CB -0.676 62.762 63.200 0.396 0.000 0.852 581 S HN 0.493 nan 8.310 nan 0.000 0.457 582 P HA -0.040 nan 4.420 nan 0.000 0.216 582 P C 1.567 178.553 177.300 -0.524 0.000 1.150 582 P CA 0.890 63.555 63.100 -0.726 0.000 0.837 582 P CB -0.281 30.663 31.700 -1.259 0.000 0.786 583 V N 1.383 120.731 119.914 -0.943 0.000 2.219 583 V HA -0.281 3.839 4.120 0.000 0.000 0.248 583 V C 2.607 178.430 176.094 -0.452 0.000 1.053 583 V CA 2.286 63.933 62.300 -1.088 0.000 1.009 583 V CB -1.314 29.806 31.823 -1.172 0.000 0.636 583 V HN 0.137 nan 8.190 nan 0.000 0.445 584 K N -0.302 119.959 120.400 -0.231 0.000 2.063 584 K HA -0.168 4.152 4.320 0.000 0.000 0.208 584 K C 2.042 178.639 176.600 -0.005 0.000 1.048 584 K CA 1.577 57.816 56.287 -0.081 0.000 0.928 584 K CB -0.526 32.010 32.500 0.060 0.000 0.713 584 K HN 0.367 nan 8.250 nan 0.000 0.442 585 V N 1.303 121.257 119.914 0.067 0.000 2.287 585 V HA -0.277 3.843 4.120 0.000 0.000 0.248 585 V C 1.991 178.242 176.094 0.262 0.000 1.053 585 V CA 1.935 64.361 62.300 0.209 0.000 1.027 585 V CB -0.573 31.436 31.823 0.310 0.000 0.646 585 V HN 0.239 nan 8.190 nan 0.000 0.447 586 F N 0.365 120.286 119.950 -0.049 0.000 2.046 586 F HA -0.279 4.248 4.527 0.000 0.000 0.297 586 F C 2.352 178.219 175.800 0.113 0.000 1.123 586 F CA 2.569 60.599 58.000 0.051 0.000 1.199 586 F CB -0.370 38.656 39.000 0.043 0.000 0.972 586 F HN 0.133 nan 8.300 nan 0.000 0.474 587 M N 0.895 120.416 119.600 -0.131 0.000 2.279 587 M HA -0.037 4.443 4.480 0.000 0.000 0.264 587 M C 2.151 178.266 176.300 -0.307 0.000 1.062 587 M CA 1.583 56.651 55.300 -0.386 0.000 1.099 587 M CB -0.895 31.332 32.600 -0.620 0.000 1.394 587 M HN 0.289 nan 8.290 nan 0.000 0.426 588 A N -0.035 122.666 122.820 -0.198 0.000 1.896 588 A HA -0.246 4.074 4.320 0.000 0.000 0.220 588 A C 2.137 179.591 177.584 -0.217 0.000 1.206 588 A CA 2.241 54.142 52.037 -0.225 0.000 0.647 588 A CB -1.202 17.714 19.000 -0.141 0.000 0.828 588 A HN 0.554 nan 8.150 nan 0.000 0.455 589 L N -0.941 120.177 121.223 -0.175 0.000 2.109 589 L HA 0.078 4.418 4.340 0.000 0.000 0.207 589 L C 2.766 179.466 176.870 -0.283 0.000 1.086 589 L CA 1.784 56.478 54.840 -0.244 0.000 0.760 589 L CB -0.541 41.276 42.059 -0.404 0.000 0.910 589 L HN 0.358 nan 8.230 nan 0.000 0.437 590 A N -0.494 122.075 122.820 -0.417 0.000 1.978 590 A HA -0.263 4.057 4.320 0.000 0.000 0.220 590 A C 2.041 179.484 177.584 -0.235 0.000 1.170 590 A CA 2.149 53.927 52.037 -0.431 0.000 0.636 590 A CB -0.974 17.573 19.000 -0.755 0.000 0.810 590 A HN 0.658 nan 8.150 nan 0.000 0.448 591 N N -0.616 117.968 118.700 -0.193 0.000 2.025 591 N HA -0.159 4.581 4.740 0.000 0.000 0.194 591 N C 1.547 177.010 175.510 -0.079 0.000 1.044 591 N CA 1.368 54.362 53.050 -0.093 0.000 0.851 591 N CB -0.254 38.211 38.487 -0.036 0.000 1.036 591 N HN 0.317 nan 8.380 nan 0.000 0.422 592 L N 1.057 122.214 121.223 -0.110 0.000 2.129 592 L HA -0.083 4.257 4.340 0.000 0.000 0.212 592 L C 1.507 178.316 176.870 -0.102 0.000 1.087 592 L CA 1.377 56.156 54.840 -0.101 0.000 0.757 592 L CB -0.312 41.672 42.059 -0.125 0.000 0.896 592 L HN 0.281 nan 8.230 nan 0.000 0.434 593 L N -0.582 120.571 121.223 -0.118 0.000 2.627 593 L HA 0.118 4.458 4.340 0.000 0.000 0.233 593 L C 1.032 177.856 176.870 -0.076 0.000 1.144 593 L CA -0.222 54.556 54.840 -0.102 0.000 0.892 593 L CB -0.659 41.336 42.059 -0.107 0.000 1.039 593 L HN 0.171 nan 8.230 nan 0.000 0.442 594 A N 0.856 123.635 122.820 -0.069 0.000 2.473 594 A HA 0.146 4.466 4.320 0.000 0.000 0.282 594 A C 1.103 178.665 177.584 -0.035 0.000 1.163 594 A CA 0.480 52.489 52.037 -0.047 0.000 0.827 594 A CB 0.228 19.205 19.000 -0.039 0.000 1.098 594 A HN 0.514 nan 8.150 nan 0.000 0.515 595 Q N 1.304 121.087 119.800 -0.028 0.000 7.863 595 Q HA -0.136 4.204 4.340 0.000 0.000 0.365 595 Q C -1.647 174.337 176.000 -0.027 0.000 0.969 595 Q CA 1.369 57.159 55.803 -0.022 0.000 0.544 595 Q CB -2.074 26.653 28.738 -0.019 0.000 0.177 595 Q HN 0.583 nan 8.270 nan 0.000 0.902 596 P HA 0.027 nan 4.420 nan 0.000 0.215 596 P C -0.066 177.219 177.300 -0.026 0.000 1.157 596 P CA 1.552 64.629 63.100 -0.038 0.000 0.863 596 P CB 0.097 31.766 31.700 -0.052 0.000 0.787 597 E N -1.531 118.654 120.200 -0.024 0.000 2.292 597 E HA 0.397 4.747 4.350 0.000 0.000 0.272 597 E C -2.715 173.881 176.600 -0.007 0.000 0.881 597 E CA -2.916 53.478 56.400 -0.011 0.000 0.754 597 E CB 0.971 30.668 29.700 -0.004 0.000 1.201 597 E HN -0.183 nan 8.360 nan 0.000 0.425 598 P HA 0.169 nan 4.420 nan 0.000 0.267 598 P C -0.662 176.650 177.300 0.019 0.000 1.200 598 P CA 0.282 63.388 63.100 0.010 0.000 0.772 598 P CB 0.282 31.994 31.700 0.019 0.000 0.855 599 I N -1.655 118.929 120.570 0.024 0.000 3.002 599 I HA 0.772 4.942 4.170 0.000 0.000 0.310 599 I C -0.494 175.660 176.117 0.062 0.000 1.087 599 I CA -1.734 59.596 61.300 0.050 0.000 1.017 599 I CB 2.304 40.340 38.000 0.059 0.000 1.226 599 I HN 0.141 nan 8.210 nan 0.000 0.443 600 A N 4.495 127.366 122.820 0.084 0.000 2.797 600 A HA 0.541 4.861 4.320 0.000 0.000 0.296 600 A C 0.003 177.650 177.584 0.105 0.000 1.580 600 A CA -0.318 51.769 52.037 0.084 0.000 1.277 600 A CB -1.476 17.570 19.000 0.077 0.000 1.101 600 A HN 0.569 nan 8.150 nan 0.000 0.562 601 I N 0.086 120.710 120.570 0.091 0.000 2.834 601 I HA 0.713 4.883 4.170 0.000 0.000 0.305 601 I C 1.106 177.288 176.117 0.109 0.000 1.008 601 I CA -0.302 61.062 61.300 0.107 0.000 1.273 601 I CB -0.028 38.014 38.000 0.071 0.000 1.432 601 I HN 0.345 nan 8.210 nan 0.000 0.557 602 G N 2.205 111.079 108.800 0.123 0.000 2.711 602 G HA2 0.384 4.344 3.960 0.000 0.000 0.186 602 G HA3 0.384 4.344 3.960 0.000 0.000 0.186 602 G C 0.456 175.407 174.900 0.085 0.000 1.635 602 G CA 0.332 45.490 45.100 0.097 0.000 1.065 602 G HN 0.992 nan 8.290 nan 0.000 0.545 603 V N -1.621 118.332 119.914 0.065 0.000 3.766 603 V HA 0.236 4.356 4.120 0.000 0.000 0.286 603 V C -1.357 174.786 176.094 0.082 0.000 1.055 603 V CA -0.582 61.752 62.300 0.057 0.000 1.060 603 V CB 0.177 32.018 31.823 0.030 0.000 1.210 603 V HN 0.369 nan 8.190 nan 0.000 0.457 604 P HA 0.059 nan 4.420 nan 0.000 0.221 604 P C 1.723 179.073 177.300 0.083 0.000 1.150 604 P CA 1.697 64.841 63.100 0.073 0.000 0.800 604 P CB -0.299 31.411 31.700 0.016 0.000 0.787 605 G N 0.032 108.855 108.800 0.039 0.000 2.574 605 G HA2 -0.304 3.656 3.960 0.000 0.000 0.220 605 G HA3 -0.304 3.656 3.960 0.000 0.000 0.220 605 G C 1.160 176.073 174.900 0.020 0.000 1.173 605 G CA 0.774 45.881 45.100 0.010 0.000 0.772 605 G HN 0.289 nan 8.290 nan 0.000 0.585 606 M N 1.207 120.828 119.600 0.035 0.000 2.859 606 M HA 0.210 4.690 4.480 0.000 0.000 0.297 606 M C 0.434 176.828 176.300 0.157 0.000 1.268 606 M CA -0.326 55.008 55.300 0.056 0.000 1.003 606 M CB -0.134 32.488 32.600 0.036 0.000 1.308 606 M HN 0.310 nan 8.290 nan 0.000 0.502 607 H N 0.726 119.854 119.070 0.097 0.000 2.929 607 H HA -0.111 4.445 4.556 0.000 0.000 0.358 607 H C 0.817 176.227 175.328 0.137 0.000 1.111 607 H CA 1.076 57.185 56.048 0.102 0.000 1.409 607 H CB 0.991 30.795 29.762 0.070 0.000 1.373 607 H HN 0.398 nan 8.280 nan 0.000 0.610 608 Q N 1.767 121.017 119.800 -0.916 0.000 2.197 608 Q HA -0.184 4.156 4.340 0.000 0.000 0.211 608 Q C 1.532 177.377 176.000 -0.258 0.000 0.993 608 Q CA 2.700 58.197 55.803 -0.511 0.000 0.883 608 Q CB -0.228 28.206 28.738 -0.506 0.000 0.916 608 Q HN 0.781 nan 8.270 nan 0.000 0.418 609 T N -3.960 110.458 114.554 -0.227 0.000 3.174 609 T HA 0.264 4.614 4.350 0.000 0.000 0.269 609 T C 0.011 174.802 174.700 0.152 0.000 1.017 609 T CA -0.151 61.983 62.100 0.058 0.000 0.899 609 T CB 0.134 69.088 68.868 0.143 0.000 1.077 609 T HN -0.002 nan 8.240 nan 0.000 0.552 610 T N 5.081 119.743 114.554 0.180 0.000 2.851 610 T HA 0.368 4.718 4.350 0.000 0.000 0.298 610 T C -2.566 172.330 174.700 0.327 0.000 0.977 610 T CA -0.995 61.259 62.100 0.257 0.000 1.126 610 T CB 0.947 69.984 68.868 0.282 0.000 0.916 610 T HN 0.145 nan 8.240 nan 0.000 0.529 611 P HA 0.217 nan 4.420 nan 0.000 0.271 611 P C 0.630 178.198 177.300 0.447 0.000 1.218 611 P CA -0.298 63.028 63.100 0.376 0.000 0.780 611 P CB 0.484 32.221 31.700 0.061 0.000 0.901 612 A N 2.999 126.046 122.820 0.380 0.000 1.927 612 A HA -0.255 4.065 4.320 0.000 0.000 0.220 612 A C 2.221 179.990 177.584 0.308 0.000 1.185 612 A CA 2.744 54.840 52.037 0.097 0.000 0.639 612 A CB -1.898 17.117 19.000 0.025 0.000 0.820 612 A HN 0.642 nan 8.150 nan 0.000 0.451 613 S N -0.480 115.484 115.700 0.440 0.000 2.380 613 S HA -0.346 4.124 4.470 0.000 0.000 0.229 613 S C 1.784 176.564 174.600 0.300 0.000 1.043 613 S CA 1.831 60.235 58.200 0.341 0.000 1.038 613 S CB -0.642 62.721 63.200 0.271 0.000 0.872 613 S HN 0.580 nan 8.310 nan 0.000 0.456 614 Q N 0.658 120.665 119.800 0.346 0.000 2.297 614 Q HA 0.147 4.487 4.340 0.000 0.000 0.208 614 Q C 0.255 176.367 176.000 0.186 0.000 0.981 614 Q CA 0.794 56.733 55.803 0.226 0.000 0.876 614 Q CB -0.659 28.157 28.738 0.131 0.000 0.921 614 Q HN 0.726 nan 8.270 nan 0.000 0.446 615 F N 0.305 120.297 119.950 0.071 0.000 2.666 615 F HA 0.138 4.665 4.527 0.000 0.000 0.362 615 F C 0.551 176.384 175.800 0.054 0.000 1.190 615 F CA -0.256 57.775 58.000 0.051 0.000 1.328 615 F CB -0.338 38.670 39.000 0.013 0.000 1.682 615 F HN -0.072 nan 8.300 nan 0.000 0.623 616 S N -1.693 114.096 115.700 0.149 0.000 2.601 616 S HA 0.204 4.674 4.470 0.000 0.000 0.244 616 S C -0.307 174.023 174.600 -0.450 0.000 1.001 616 S CA -0.393 57.798 58.200 -0.014 0.000 0.984 616 S CB -0.526 62.744 63.200 0.116 0.000 0.842 616 S HN 0.457 nan 8.310 nan 0.000 0.474 617 H N 0.635 119.469 119.070 -0.393 0.000 2.782 617 H HA 0.457 5.013 4.556 0.000 0.000 0.347 617 H C -2.601 172.537 175.328 -0.317 0.000 1.038 617 H CA -1.461 54.335 56.048 -0.421 0.000 1.255 617 H CB 1.849 31.469 29.762 -0.237 0.000 1.623 617 H HN -0.211 nan 8.280 nan 0.000 0.525 618 P HA -0.205 nan 4.420 nan 0.000 0.219 618 P C 1.445 177.977 177.300 -1.280 0.000 1.158 618 P CA 2.543 64.697 63.100 -1.577 0.000 0.895 618 P CB -0.041 30.710 31.700 -1.582 0.000 0.792 619 G N -0.571 107.492 108.800 -1.229 0.000 2.479 619 G HA2 -0.187 3.773 3.960 0.000 0.000 0.220 619 G HA3 -0.187 3.773 3.960 0.000 0.000 0.220 619 G C 1.164 175.973 174.900 -0.152 0.000 1.115 619 G CA 1.004 45.846 45.100 -0.429 0.000 0.757 619 G HN 0.436 nan 8.290 nan 0.000 0.560 620 V N -4.044 115.810 119.914 -0.100 0.000 3.331 620 V HA 0.401 4.521 4.120 0.000 0.000 0.332 620 V C -0.029 176.223 176.094 0.264 0.000 1.341 620 V CA -1.421 60.905 62.300 0.043 0.000 1.218 620 V CB -0.826 30.958 31.823 -0.065 0.000 1.152 620 V HN 0.182 nan 8.190 nan 0.000 0.445 621 W N 2.521 123.766 121.300 -0.091 0.000 2.437 621 W HA 0.530 5.190 4.660 0.000 0.000 0.312 621 W C -2.309 174.228 176.519 0.029 0.000 1.242 621 W CA -2.336 54.972 57.345 -0.062 0.000 1.340 621 W CB 0.169 29.556 29.460 -0.121 0.000 1.327 621 W HN 0.180 nan 8.180 nan 0.000 0.476 622 P HA 0.013 nan 4.420 nan 0.000 0.268 622 P C -1.696 175.721 177.300 0.194 0.000 1.204 622 P CA -0.751 62.492 63.100 0.237 0.000 0.768 622 P CB 0.621 32.483 31.700 0.271 0.000 0.842 623 P HA -0.256 nan 4.420 nan 0.000 0.215 623 P C 1.561 178.897 177.300 0.060 0.000 1.163 623 P CA 2.090 65.249 63.100 0.098 0.000 0.894 623 P CB -0.544 31.205 31.700 0.082 0.000 0.791 624 G N -0.535 108.308 108.800 0.071 0.000 2.586 624 G HA2 -0.343 3.617 3.960 0.000 0.000 0.218 624 G HA3 -0.343 3.617 3.960 0.000 0.000 0.218 624 G C 1.437 176.227 174.900 -0.182 0.000 1.216 624 G CA 1.078 46.185 45.100 0.011 0.000 0.786 624 G HN 0.229 nan 8.290 nan 0.000 0.583 625 F N 1.382 121.045 119.950 -0.479 0.000 2.045 625 F HA -0.207 4.320 4.527 0.000 0.000 0.297 625 F C 2.601 178.163 175.800 -0.397 0.000 1.114 625 F CA 2.066 59.647 58.000 -0.697 0.000 1.207 625 F CB -0.318 38.268 39.000 -0.690 0.000 0.964 625 F HN 0.091 nan 8.300 nan 0.000 0.486 626 L N -0.574 120.627 121.223 -0.036 0.000 2.083 626 L HA -0.208 4.132 4.340 0.000 0.000 0.209 626 L C 0.865 177.649 176.870 -0.142 0.000 1.083 626 L CA 1.214 56.022 54.840 -0.055 0.000 0.752 626 L CB -0.672 41.469 42.059 0.137 0.000 0.899 626 L HN 0.190 nan 8.230 nan 0.000 0.433 627 N N -0.241 118.386 118.700 -0.121 0.000 2.707 627 N HA 0.166 4.906 4.740 0.000 0.000 0.235 627 N C -2.055 173.364 175.510 -0.151 0.000 1.028 627 N CA -1.354 51.622 53.050 -0.123 0.000 0.906 627 N CB 1.684 40.134 38.487 -0.062 0.000 1.131 627 N HN -0.140 nan 8.380 nan 0.000 0.509 628 P HA -0.053 nan 4.420 nan 0.000 0.216 628 P C 0.939 178.177 177.300 -0.103 0.000 1.153 628 P CA 1.136 64.118 63.100 -0.197 0.000 0.844 628 P CB 0.549 32.099 31.700 -0.250 0.000 0.787 629 Q N -0.615 119.129 119.800 -0.094 0.000 2.181 629 Q HA -0.104 4.236 4.340 0.000 0.000 0.205 629 Q C 2.038 178.017 176.000 -0.035 0.000 0.980 629 Q CA 1.164 56.932 55.803 -0.058 0.000 0.862 629 Q CB -1.229 27.478 28.738 -0.053 0.000 0.905 629 Q HN 0.244 nan 8.270 nan 0.000 0.429 630 L N -0.026 121.177 121.223 -0.033 0.000 2.187 630 L HA -0.101 4.239 4.340 0.000 0.000 0.213 630 L C 0.521 177.390 176.870 -0.002 0.000 1.100 630 L CA 0.417 55.249 54.840 -0.014 0.000 0.765 630 L CB -0.357 41.696 42.059 -0.010 0.000 0.904 630 L HN 0.204 nan 8.230 nan 0.000 0.437 631 I N 1.722 122.291 120.570 -0.003 0.000 2.460 631 I HA -0.082 4.088 4.170 0.000 0.000 0.297 631 I C 0.516 176.645 176.117 0.021 0.000 1.139 631 I CA -0.244 61.068 61.300 0.020 0.000 1.340 631 I CB -0.595 37.427 38.000 0.037 0.000 1.444 631 I HN 0.203 nan 8.210 nan 0.000 0.557 632 N N 8.597 127.309 118.700 0.020 0.000 2.391 632 N HA -0.164 4.576 4.740 0.000 0.000 0.316 632 N C -1.532 173.988 175.510 0.017 0.000 1.189 632 N CA -0.188 52.872 53.050 0.017 0.000 0.861 632 N CB 0.507 39.005 38.487 0.018 0.000 1.098 632 N HN 0.337 nan 8.380 nan 0.000 0.558 633 P HA -0.160 nan 4.420 nan 0.000 0.216 633 P C 0.997 178.305 177.300 0.013 0.000 1.150 633 P CA 1.422 64.530 63.100 0.013 0.000 0.843 633 P CB 0.281 31.985 31.700 0.008 0.000 0.787 634 Q N -0.932 118.874 119.800 0.010 0.000 2.119 634 Q HA -0.111 4.229 4.340 0.000 0.000 0.201 634 Q C 2.260 178.264 176.000 0.007 0.000 0.972 634 Q CA 1.417 57.224 55.803 0.007 0.000 0.847 634 Q CB -0.640 28.101 28.738 0.005 0.000 0.903 634 Q HN 0.430 nan 8.270 nan 0.000 0.433 635 Q N -1.139 118.667 119.800 0.010 0.000 2.204 635 Q HA 0.245 4.585 4.340 0.000 0.000 0.198 635 Q C 0.068 176.075 176.000 0.012 0.000 0.946 635 Q CA 0.955 56.764 55.803 0.010 0.000 0.859 635 Q CB 0.520 29.265 28.738 0.012 0.000 0.946 635 Q HN 0.223 nan 8.270 nan 0.000 0.474 636 A N 1.357 124.190 122.820 0.022 0.000 3.297 636 A HA 0.267 4.587 4.320 0.000 0.000 0.304 636 A C -2.083 175.528 177.584 0.045 0.000 0.963 636 A CA -1.098 50.958 52.037 0.032 0.000 0.935 636 A CB 0.345 19.370 19.000 0.042 0.000 1.093 636 A HN 0.009 nan 8.150 nan 0.000 0.480 637 P HA -0.176 nan 4.420 nan 0.000 0.215 637 P C 1.578 178.925 177.300 0.079 0.000 1.157 637 P CA 0.981 64.107 63.100 0.043 0.000 0.863 637 P CB 0.058 31.773 31.700 0.025 0.000 0.787 638 L N -1.437 119.840 121.223 0.090 0.000 2.046 638 L HA -0.157 4.183 4.340 0.000 0.000 0.208 638 L C 2.751 179.794 176.870 0.289 0.000 1.077 638 L CA 1.040 56.000 54.840 0.201 0.000 0.747 638 L CB -1.223 40.887 42.059 0.085 0.000 0.896 638 L HN -0.044 nan 8.230 nan 0.000 0.432 639 L N -0.182 121.142 121.223 0.169 0.000 2.027 639 L HA -0.155 4.186 4.340 0.000 0.000 0.206 639 L C 2.796 179.801 176.870 0.225 0.000 1.074 639 L CA 1.480 56.432 54.840 0.187 0.000 0.745 639 L CB -0.520 41.619 42.059 0.134 0.000 0.898 639 L HN 0.089 nan 8.230 nan 0.000 0.433 640 R N -0.381 120.207 120.500 0.146 0.000 2.112 640 R HA -0.275 4.065 4.340 0.000 0.000 0.242 640 R C 2.154 178.473 176.300 0.031 0.000 1.137 640 R CA 1.856 58.001 56.100 0.075 0.000 0.944 640 R CB -0.611 29.719 30.300 0.051 0.000 0.857 640 R HN 0.570 nan 8.270 nan 0.000 0.435 641 A N 0.717 123.570 122.820 0.054 0.000 1.859 641 A HA -0.257 4.063 4.320 0.000 0.000 0.217 641 A C 2.018 179.558 177.584 -0.075 0.000 1.198 641 A CA 1.732 53.790 52.037 0.034 0.000 0.629 641 A CB -1.059 18.022 19.000 0.135 0.000 0.830 641 A HN 0.538 nan 8.150 nan 0.000 0.446 642 F N 1.062 120.679 119.950 -0.554 0.000 2.065 642 F HA -0.205 4.322 4.527 0.000 0.000 0.298 642 F C 2.572 178.224 175.800 -0.247 0.000 1.112 642 F CA 1.510 59.029 58.000 -0.802 0.000 1.212 642 F CB -0.787 37.468 39.000 -1.243 0.000 0.975 642 F HN 0.263 nan 8.300 nan 0.000 0.476 643 A N 0.126 122.849 122.820 -0.161 0.000 1.908 643 A HA -0.197 4.123 4.320 0.000 0.000 0.218 643 A C 2.131 179.536 177.584 -0.298 0.000 1.181 643 A CA 1.816 53.656 52.037 -0.328 0.000 0.627 643 A CB -0.816 17.977 19.000 -0.344 0.000 0.818 643 A HN 0.486 nan 8.150 nan 0.000 0.445 644 E N -0.629 119.470 120.200 -0.169 0.000 2.118 644 E HA -0.217 4.133 4.350 0.000 0.000 0.195 644 E C 1.872 178.448 176.600 -0.041 0.000 0.992 644 E CA 1.267 57.600 56.400 -0.112 0.000 0.804 644 E CB -0.626 29.045 29.700 -0.049 0.000 0.741 644 E HN 0.856 nan 8.360 nan 0.000 0.458 645 H N 0.689 119.705 119.070 -0.091 0.000 2.353 645 H HA -0.070 4.486 4.556 0.000 0.000 0.300 645 H C 2.227 177.689 175.328 0.223 0.000 1.090 645 H CA 1.322 57.387 56.048 0.028 0.000 1.327 645 H CB -0.033 29.683 29.762 -0.077 0.000 1.383 645 H HN 0.097 nan 8.280 nan 0.000 0.508 646 I N 0.609 121.268 120.570 0.149 0.000 2.099 646 I HA -0.305 3.865 4.170 0.000 0.000 0.239 646 I C 3.075 179.180 176.117 -0.020 0.000 1.066 646 I CA 1.616 63.027 61.300 0.184 0.000 1.324 646 I CB -0.417 37.511 38.000 -0.121 0.000 1.037 646 I HN 0.169 nan 8.210 nan 0.000 0.401 647 R N 0.953 121.332 120.500 -0.202 0.000 2.096 647 R HA -0.228 4.112 4.340 0.000 0.000 0.240 647 R C 2.248 178.484 176.300 -0.106 0.000 1.139 647 R CA 1.996 57.962 56.100 -0.222 0.000 0.952 647 R CB -0.298 29.842 30.300 -0.267 0.000 0.854 647 R HN 0.425 nan 8.270 nan 0.000 0.436 648 A N -0.236 122.538 122.820 -0.076 0.000 1.935 648 A HA -0.071 4.249 4.320 0.000 0.000 0.214 648 A C 1.697 179.250 177.584 -0.051 0.000 1.178 648 A CA 1.458 53.463 52.037 -0.055 0.000 0.640 648 A CB -0.302 18.674 19.000 -0.041 0.000 0.825 648 A HN 0.559 nan 8.150 nan 0.000 0.447 649 N N -1.906 116.754 118.700 -0.066 0.000 2.205 649 N HA 0.043 4.783 4.740 0.000 0.000 0.201 649 N C 0.115 175.438 175.510 -0.312 0.000 1.128 649 N CA -0.530 52.458 53.050 -0.103 0.000 0.867 649 N CB 0.059 38.483 38.487 -0.104 0.000 0.996 649 N HN 0.617 nan 8.380 nan 0.000 0.503 650 W N 3.809 124.782 121.300 -0.545 0.000 2.314 650 W HA 0.035 4.695 4.660 0.000 0.000 0.339 650 W C -2.400 173.771 176.519 -0.581 0.000 1.293 650 W CA -0.769 56.162 57.345 -0.689 0.000 1.288 650 W CB 0.483 29.681 29.460 -0.435 0.000 1.186 650 W HN 0.075 nan 8.180 nan 0.000 0.566 651 P HA 0.017 nan 4.420 nan 0.000 0.271 651 P C -1.139 175.740 177.300 -0.702 0.000 1.218 651 P CA 0.412 62.867 63.100 -1.076 0.000 0.780 651 P CB 0.867 31.378 31.700 -1.981 0.000 0.901 652 Q N 3.035 122.535 119.800 -0.500 0.000 2.226 652 Q HA 0.518 4.858 4.340 0.000 0.000 0.256 652 Q C -2.286 173.497 176.000 -0.361 0.000 0.962 652 Q CA -1.863 53.753 55.803 -0.311 0.000 0.887 652 Q CB -0.072 28.558 28.738 -0.180 0.000 1.282 652 Q HN 0.317 nan 8.270 nan 0.000 0.449 653 P HA 0.248 nan 4.420 nan 0.000 0.285 653 P C -0.941 176.296 177.300 -0.106 0.000 1.259 653 P CA -0.251 62.731 63.100 -0.196 0.000 0.794 653 P CB 1.555 33.218 31.700 -0.062 0.000 0.940 654 S N 1.398 117.058 115.700 -0.067 0.000 2.709 654 S HA 0.710 5.180 4.470 0.000 0.000 0.302 654 S C -1.299 173.369 174.600 0.112 0.000 1.127 654 S CA -0.526 57.692 58.200 0.031 0.000 0.905 654 S CB 0.773 64.004 63.200 0.053 0.000 1.151 654 S HN 0.410 nan 8.310 nan 0.000 0.510 655 E N 0.682 120.960 120.200 0.130 0.000 2.317 655 E HA 0.713 5.063 4.350 0.000 0.000 0.270 655 E C -1.043 175.661 176.600 0.174 0.000 0.885 655 E CA -0.744 55.712 56.400 0.092 0.000 0.760 655 E CB 0.953 30.650 29.700 -0.004 0.000 1.227 655 E HN 0.533 nan 8.360 nan 0.000 0.434 656 F N -1.171 118.780 119.950 0.002 0.000 2.654 656 F HA 0.841 5.368 4.527 0.000 0.000 0.308 656 F C 0.093 175.920 175.800 0.046 0.000 1.108 656 F CA -1.240 56.761 58.000 0.000 0.000 0.957 656 F CB 1.083 40.059 39.000 -0.040 0.000 1.309 656 F HN 0.635 nan 8.300 nan 0.000 0.446 657 G N 0.922 109.725 108.800 0.006 0.000 2.606 657 G HA2 0.433 4.393 3.960 0.000 0.000 0.252 657 G HA3 0.433 4.393 3.960 0.000 0.000 0.252 657 G C -1.795 173.204 174.900 0.164 0.000 1.206 657 G CA 0.072 45.186 45.100 0.024 0.000 0.861 657 G HN 1.626 nan 8.290 nan 0.000 0.561 658 Y N -1.654 118.618 120.300 -0.047 0.000 2.786 658 Y HA 0.512 5.062 4.550 0.000 0.000 0.365 658 Y C 0.452 176.336 175.900 -0.027 0.000 1.171 658 Y CA -0.126 57.967 58.100 -0.013 0.000 1.214 658 Y CB 0.415 38.866 38.460 -0.015 0.000 1.411 658 Y HN 2.055 nan 8.280 nan 0.000 0.485 659 G N 1.426 109.914 108.800 -0.521 0.000 2.826 659 G HA2 0.337 4.297 3.960 0.000 0.000 0.233 659 G HA3 0.337 4.297 3.960 0.000 0.000 0.233 659 G C -0.365 174.408 174.900 -0.212 0.000 1.296 659 G CA 0.188 45.004 45.100 -0.473 0.000 1.001 659 G HN 1.965 nan 8.290 nan 0.000 0.576 660 S N -1.906 113.670 115.700 -0.206 0.000 2.586 660 S HA 0.591 5.061 4.470 0.000 0.000 0.277 660 S C 1.118 175.673 174.600 -0.076 0.000 1.131 660 S CA 0.828 58.978 58.200 -0.083 0.000 0.848 660 S CB 0.832 64.034 63.200 0.003 0.000 1.091 660 S HN 2.041 nan 8.310 nan 0.000 0.453 661 T N 1.663 116.198 114.554 -0.031 0.000 2.732 661 T HA -0.009 4.341 4.350 0.000 0.000 0.261 661 T C 1.872 176.589 174.700 0.028 0.000 1.040 661 T CA 1.399 63.490 62.100 -0.015 0.000 1.145 661 T CB -0.649 68.216 68.868 -0.004 0.000 0.866 661 T HN 0.400 nan 8.240 nan 0.000 0.427 662 L N 1.474 122.746 121.223 0.081 0.000 2.103 662 L HA -0.141 4.199 4.340 0.000 0.000 0.215 662 L C 2.867 179.885 176.870 0.246 0.000 1.080 662 L CA 1.957 56.890 54.840 0.155 0.000 0.764 662 L CB -0.784 41.410 42.059 0.224 0.000 0.890 662 L HN 0.455 nan 8.230 nan 0.000 0.435 663 Q N -1.956 117.943 119.800 0.165 0.000 2.402 663 Q HA 0.248 4.588 4.340 0.000 0.000 0.231 663 Q C 1.161 177.155 176.000 -0.009 0.000 0.888 663 Q CA 0.627 56.462 55.803 0.053 0.000 0.938 663 Q CB 0.638 29.254 28.738 -0.203 0.000 1.086 663 Q HN 0.440 nan 8.270 nan 0.000 0.543 664 G N 1.004 109.788 108.800 -0.028 0.000 2.498 664 G HA2 -0.271 3.689 3.960 0.000 0.000 0.245 664 G HA3 -0.271 3.689 3.960 0.000 0.000 0.245 664 G C -0.445 174.391 174.900 -0.105 0.000 1.204 664 G CA -0.058 45.005 45.100 -0.062 0.000 0.933 664 G HN 0.828 nan 8.290 nan 0.000 0.574 665 S N -1.489 114.168 115.700 -0.071 0.000 2.556 665 S HA 0.809 5.279 4.470 0.000 0.000 0.271 665 S C 0.443 175.052 174.600 0.016 0.000 1.135 665 S CA 0.437 58.620 58.200 -0.028 0.000 0.858 665 S CB 1.676 64.869 63.200 -0.011 0.000 1.114 665 S HN 2.400 nan 8.310 nan 0.000 0.468 666 A N 1.178 124.032 122.820 0.056 0.000 2.261 666 A HA 0.238 4.558 4.320 0.000 0.000 0.208 666 A C 0.516 178.152 177.584 0.086 0.000 1.223 666 A CA -0.457 51.612 52.037 0.054 0.000 0.833 666 A CB -1.474 17.554 19.000 0.047 0.000 0.830 666 A HN 0.885 nan 8.150 nan 0.000 0.483 667 N N 0.986 119.750 118.700 0.107 0.000 2.211 667 N HA -0.038 4.702 4.740 0.000 0.000 0.283 667 N C 0.794 176.325 175.510 0.035 0.000 1.393 667 N CA -0.329 52.773 53.050 0.087 0.000 0.954 667 N CB 0.149 38.691 38.487 0.092 0.000 1.349 667 N HN 0.468 nan 8.380 nan 0.000 0.491 668 L N 1.300 122.578 121.223 0.092 0.000 1.913 668 L HA -0.181 4.159 4.340 0.000 0.000 0.217 668 L C 1.538 178.271 176.870 -0.227 0.000 1.086 668 L CA 1.516 56.341 54.840 -0.025 0.000 0.772 668 L CB -0.329 41.818 42.059 0.147 0.000 0.887 668 L HN 0.498 nan 8.230 nan 0.000 0.432 669 F N -0.127 119.836 119.950 0.021 0.000 2.661 669 F HA 0.094 4.621 4.527 0.000 0.000 0.298 669 F C 0.935 176.676 175.800 -0.098 0.000 1.137 669 F CA 0.162 58.114 58.000 -0.081 0.000 1.454 669 F CB -0.250 38.627 39.000 -0.206 0.000 1.103 669 F HN 0.004 nan 8.300 nan 0.000 0.577 670 I N -2.345 118.243 120.570 0.029 0.000 2.562 670 I HA 0.483 4.653 4.170 0.000 0.000 0.301 670 I C -2.586 173.527 176.117 -0.006 0.000 1.003 670 I CA -2.776 58.526 61.300 0.002 0.000 1.127 670 I CB 0.772 38.762 38.000 -0.017 0.000 1.304 670 I HN -0.354 nan 8.210 nan 0.000 0.446 671 P HA -0.040 nan 4.420 nan 0.000 0.266 671 P C -0.110 177.183 177.300 -0.011 0.000 1.193 671 P CA 0.033 63.122 63.100 -0.017 0.000 0.770 671 P CB 0.473 32.159 31.700 -0.022 0.000 0.836 672 S N 2.402 118.089 115.700 -0.022 0.000 2.563 672 S HA -0.052 4.418 4.470 0.000 0.000 0.294 672 S C 0.706 175.263 174.600 -0.071 0.000 1.279 672 S CA 0.680 58.857 58.200 -0.038 0.000 1.069 672 S CB -1.279 61.893 63.200 -0.046 0.000 0.828 672 S HN 0.608 nan 8.310 nan 0.000 0.497 673 N N 0.936 119.556 118.700 -0.134 0.000 2.900 673 N HA -0.160 4.580 4.740 0.000 0.000 0.240 673 N C -0.937 174.514 175.510 -0.099 0.000 0.953 673 N CA 1.238 54.102 53.050 -0.310 0.000 0.950 673 N CB -0.460 37.868 38.487 -0.266 0.000 1.102 673 N HN 0.450 nan 8.380 nan 0.000 0.593 674 R N 0.423 120.934 120.500 0.018 0.000 2.445 674 R HA 0.586 4.926 4.340 0.000 0.000 0.308 674 R C -0.181 176.058 176.300 -0.101 0.000 0.961 674 R CA -0.225 55.846 56.100 -0.050 0.000 0.862 674 R CB 1.101 31.352 30.300 -0.081 0.000 1.144 674 R HN 0.178 nan 8.270 nan 0.000 0.447 675 M N 1.406 120.770 119.600 -0.394 0.000 2.598 675 M HA 0.480 4.960 4.480 0.000 0.000 0.317 675 M C -0.479 175.500 176.300 -0.535 0.000 1.179 675 M CA -1.077 53.886 55.300 -0.562 0.000 0.936 675 M CB 2.600 34.696 32.600 -0.839 0.000 1.713 675 M HN 0.134 nan 8.290 nan 0.000 0.460 676 V N 1.556 121.333 119.914 -0.228 0.000 2.630 676 V HA 0.393 4.513 4.120 0.000 0.000 0.305 676 V C -1.394 174.784 176.094 0.141 0.000 1.046 676 V CA -0.725 61.553 62.300 -0.037 0.000 0.934 676 V CB 1.650 33.468 31.823 -0.008 0.000 1.003 676 V HN 0.620 nan 8.190 nan 0.000 0.451 677 Y N 5.823 126.135 120.300 0.021 0.000 2.328 677 Y HA 0.478 5.028 4.550 0.000 0.000 0.336 677 Y C -2.136 173.552 175.900 -0.353 0.000 0.960 677 Y CA -2.705 55.323 58.100 -0.120 0.000 1.134 677 Y CB 2.526 40.982 38.460 -0.006 0.000 1.166 677 Y HN 0.429 nan 8.280 nan 0.000 0.464 678 P HA -0.119 nan 4.420 nan 0.000 0.218 678 P C -0.468 176.120 177.300 -1.187 0.000 1.149 678 P CA 1.460 63.927 63.100 -1.055 0.000 0.817 678 P CB 0.114 30.947 31.700 -1.445 0.000 0.785 679 W N -0.183 120.259 121.300 -1.429 0.000 2.161 679 W HA 0.263 4.923 4.660 0.000 0.000 0.344 679 W C -2.083 173.982 176.519 -0.757 0.000 1.262 679 W CA -1.937 54.673 57.345 -1.226 0.000 1.270 679 W CB -1.077 27.442 29.460 -1.567 0.000 1.126 679 W HN -0.172 nan 8.180 nan 0.000 0.598 680 P HA 0.046 nan 4.420 nan 0.000 0.284 680 P C -0.669 176.688 177.300 0.095 0.000 1.253 680 P CA -0.395 62.672 63.100 -0.056 0.000 0.800 680 P CB 0.706 32.372 31.700 -0.057 0.000 0.961 681 N N 2.529 121.297 118.700 0.113 0.000 2.439 681 N HA 0.083 4.823 4.740 0.000 0.000 0.249 681 N C -0.789 174.701 175.510 -0.033 0.000 1.003 681 N CA -0.112 52.984 53.050 0.076 0.000 0.942 681 N CB 0.188 38.732 38.487 0.096 0.000 1.115 681 N HN 0.126 nan 8.380 nan 0.000 0.505 682 Q N 4.742 124.453 119.800 -0.148 0.000 2.368 682 Q HA 0.399 4.739 4.340 0.000 0.000 0.256 682 Q C -2.457 173.431 176.000 -0.188 0.000 0.980 682 Q CA -2.125 53.524 55.803 -0.257 0.000 0.887 682 Q CB 1.438 29.790 28.738 -0.644 0.000 1.221 682 Q HN 0.556 nan 8.270 nan 0.000 0.458 683 P HA -0.026 nan 4.420 nan 0.000 0.266 683 P C -0.506 176.858 177.300 0.107 0.000 1.195 683 P CA -0.348 62.763 63.100 0.019 0.000 0.768 683 P CB 0.634 32.351 31.700 0.028 0.000 0.838 684 L N 6.339 127.611 121.223 0.082 0.000 2.264 684 L HA 0.491 4.831 4.340 0.000 0.000 0.289 684 L C -2.038 174.879 176.870 0.079 0.000 1.044 684 L CA -1.937 52.961 54.840 0.097 0.000 0.807 684 L CB 0.366 42.455 42.059 0.050 0.000 1.192 684 L HN 0.312 nan 8.230 nan 0.000 0.425 685 P HA 0.331 nan 4.420 nan 0.000 0.286 685 P C -0.965 176.369 177.300 0.058 0.000 1.261 685 P CA -0.633 62.508 63.100 0.067 0.000 0.821 685 P CB 0.851 32.591 31.700 0.067 0.000 1.013 686 R N 1.361 121.890 120.500 0.048 0.000 3.641 686 R HA 0.214 4.554 4.340 0.000 0.000 0.189 686 R C 0.288 176.600 176.300 0.020 0.000 1.706 686 R CA -0.116 56.007 56.100 0.037 0.000 1.311 686 R CB -0.652 29.669 30.300 0.036 0.000 1.330 686 R HN 0.380 nan 8.270 nan 0.000 0.727 687 L N -0.878 120.356 121.223 0.018 0.000 2.606 687 L HA 0.467 4.807 4.340 0.000 0.000 0.255 687 L C 0.862 177.729 176.870 -0.005 0.000 1.501 687 L CA -0.285 54.562 54.840 0.012 0.000 1.593 687 L CB 1.568 43.645 42.059 0.030 0.000 2.049 687 L HN 0.326 nan 8.230 nan 0.000 0.576 688 T N -2.259 112.298 114.554 0.004 0.000 2.766 688 T HA 0.597 4.947 4.350 0.000 0.000 0.245 688 T C -0.091 174.630 174.700 0.035 0.000 1.045 688 T CA -0.046 62.056 62.100 0.004 0.000 1.038 688 T CB 0.079 68.945 68.868 -0.003 0.000 2.089 688 T HN 0.392 nan 8.240 nan 0.000 0.546 689 V N 0.460 120.392 119.914 0.031 0.000 2.743 689 V HA 0.799 4.919 4.120 0.000 0.000 0.301 689 V C 0.132 176.195 176.094 -0.053 0.000 1.057 689 V CA -0.777 61.539 62.300 0.028 0.000 1.006 689 V CB 0.301 32.140 31.823 0.027 0.000 1.024 689 V HN 1.335 nan 8.190 nan 0.000 0.473 690 A N 3.581 126.289 122.820 -0.188 0.000 2.532 690 A HA 0.733 5.053 4.320 0.000 0.000 0.296 690 A C -3.033 174.205 177.584 -0.577 0.000 1.058 690 A CA -1.087 50.754 52.037 -0.327 0.000 0.729 690 A CB 1.905 20.721 19.000 -0.306 0.000 1.285 690 A HN 0.677 nan 8.150 nan 0.000 0.396 691 P HA 0.185 nan 4.420 nan 0.000 0.247 691 P C 0.056 177.247 177.300 -0.182 0.000 1.756 691 P CA 0.178 63.096 63.100 -0.303 0.000 1.117 691 P CB -0.234 31.416 31.700 -0.083 0.000 1.869 692 T N -0.559 113.760 114.554 -0.391 0.000 2.863 692 T HA 0.191 4.541 4.350 0.000 0.000 0.299 692 T C 0.833 175.565 174.700 0.053 0.000 0.973 692 T CA -0.403 61.626 62.100 -0.118 0.000 0.994 692 T CB -0.292 68.488 68.868 -0.147 0.000 0.961 692 T HN 0.150 nan 8.240 nan 0.000 0.552 693 Y N 1.767 122.061 120.300 -0.010 0.000 2.403 693 Y HA -0.104 4.446 4.550 0.000 0.000 0.291 693 Y C 1.934 177.888 175.900 0.090 0.000 1.143 693 Y CA 0.782 58.911 58.100 0.047 0.000 1.257 693 Y CB -0.005 38.474 38.460 0.031 0.000 0.984 693 Y HN 0.688 nan 8.280 nan 0.000 0.550 694 D N 0.737 121.282 120.400 0.241 0.000 2.826 694 D HA -0.034 4.606 4.640 0.000 0.000 0.229 694 D C -0.074 176.346 176.300 0.200 0.000 1.091 694 D CA 0.297 54.414 54.000 0.195 0.000 1.061 694 D CB -0.481 40.412 40.800 0.155 0.000 1.155 694 D HN 0.195 nan 8.370 nan 0.000 0.450 695 S N -1.856 113.965 115.700 0.202 0.000 2.621 695 S HA 0.619 5.089 4.470 0.000 0.000 0.302 695 S C 1.237 175.944 174.600 0.177 0.000 1.093 695 S CA -0.395 57.920 58.200 0.191 0.000 1.017 695 S CB 2.151 65.470 63.200 0.200 0.000 1.077 695 S HN 0.138 nan 8.310 nan 0.000 0.517 696 A N 1.946 124.870 122.820 0.172 0.000 1.892 696 A HA -0.125 4.195 4.320 0.000 0.000 0.218 696 A C 2.096 179.837 177.584 0.262 0.000 1.188 696 A CA 2.175 54.324 52.037 0.187 0.000 0.631 696 A CB -1.044 18.064 19.000 0.180 0.000 0.822 696 A HN 0.888 nan 8.150 nan 0.000 0.447 697 M N 0.332 120.108 119.600 0.292 0.000 2.108 697 M HA -0.098 4.382 4.480 0.000 0.000 0.261 697 M C 2.216 178.677 176.300 0.268 0.000 1.066 697 M CA 2.191 57.632 55.300 0.236 0.000 1.107 697 M CB -0.826 31.696 32.600 -0.130 0.000 1.356 697 M HN 0.348 nan 8.290 nan 0.000 0.406 698 S N 0.307 116.133 115.700 0.209 0.000 2.359 698 S HA -0.200 4.270 4.470 0.000 0.000 0.224 698 S C 1.821 176.588 174.600 0.279 0.000 1.035 698 S CA 1.679 60.008 58.200 0.216 0.000 1.018 698 S CB -0.892 62.421 63.200 0.189 0.000 0.876 698 S HN 0.698 nan 8.310 nan 0.000 0.448 699 N N -0.168 118.702 118.700 0.284 0.000 2.061 699 N HA -0.201 4.539 4.740 0.000 0.000 0.193 699 N C 1.773 177.550 175.510 0.444 0.000 1.030 699 N CA 1.386 54.621 53.050 0.307 0.000 0.856 699 N CB -0.220 38.413 38.487 0.244 0.000 1.023 699 N HN 0.623 nan 8.380 nan 0.000 0.424 700 W N 1.669 123.106 121.300 0.228 0.000 2.402 700 W HA -0.120 4.540 4.660 0.000 0.000 0.286 700 W C 1.701 178.424 176.519 0.339 0.000 1.221 700 W CA 0.606 58.144 57.345 0.321 0.000 1.257 700 W CB -0.115 29.506 29.460 0.269 0.000 1.120 700 W HN 0.132 nan 8.180 nan 0.000 0.551 701 I N 1.370 122.214 120.570 0.457 0.000 2.090 701 I HA -0.418 3.752 4.170 0.000 0.000 0.236 701 I C 2.815 179.052 176.117 0.201 0.000 1.064 701 I CA 2.025 63.489 61.300 0.272 0.000 1.324 701 I CB -1.043 37.100 38.000 0.239 0.000 1.044 701 I HN -0.094 nan 8.210 nan 0.000 0.399 702 S N 0.909 116.742 115.700 0.221 0.000 2.389 702 S HA -0.340 4.130 4.470 0.000 0.000 0.229 702 S C 2.150 176.846 174.600 0.160 0.000 1.048 702 S CA 2.530 60.842 58.200 0.188 0.000 1.117 702 S CB -1.808 61.508 63.200 0.193 0.000 1.020 702 S HN 0.641 nan 8.310 nan 0.000 0.430 703 T N -0.280 114.401 114.554 0.212 0.000 2.720 703 T HA -0.138 4.212 4.350 0.000 0.000 0.268 703 T C 1.950 176.589 174.700 -0.103 0.000 1.037 703 T CA 1.968 64.165 62.100 0.162 0.000 1.144 703 T CB -1.783 67.404 68.868 0.532 0.000 0.864 703 T HN 0.522 nan 8.240 nan 0.000 0.444 704 T N 2.631 117.050 114.554 -0.225 0.000 2.720 704 T HA -0.019 4.331 4.350 0.000 0.000 0.268 704 T C 1.909 176.686 174.700 0.128 0.000 1.037 704 T CA 1.245 63.249 62.100 -0.161 0.000 1.144 704 T CB -0.365 68.396 68.868 -0.179 0.000 0.864 704 T HN 0.257 nan 8.240 nan 0.000 0.444 705 I N 1.682 122.338 120.570 0.144 0.000 2.226 705 I HA -0.081 4.089 4.170 0.000 0.000 0.245 705 I C 2.905 179.074 176.117 0.087 0.000 1.100 705 I CA 1.032 62.433 61.300 0.168 0.000 1.374 705 I CB -1.616 36.471 38.000 0.146 0.000 1.057 705 I HN 0.205 nan 8.210 nan 0.000 0.413 706 A N 0.346 123.199 122.820 0.055 0.000 1.969 706 A HA -0.230 4.090 4.320 0.000 0.000 0.218 706 A C 2.233 179.781 177.584 -0.060 0.000 1.169 706 A CA 0.988 53.035 52.037 0.016 0.000 0.635 706 A CB -0.879 18.151 19.000 0.051 0.000 0.810 706 A HN 0.358 nan 8.150 nan 0.000 0.445 707 F N -0.027 119.812 119.950 -0.186 0.000 2.075 707 F HA -0.120 4.407 4.527 0.000 0.000 0.297 707 F C 1.848 177.384 175.800 -0.439 0.000 1.113 707 F CA 1.288 59.083 58.000 -0.341 0.000 1.218 707 F CB -0.781 37.901 39.000 -0.530 0.000 0.984 707 F HN 0.232 nan 8.300 nan 0.000 0.472 708 F N 0.287 119.804 119.950 -0.722 0.000 2.171 708 F HA -0.197 4.330 4.527 0.000 0.000 0.300 708 F C 2.425 177.947 175.800 -0.462 0.000 1.090 708 F CA 1.443 59.046 58.000 -0.662 0.000 1.293 708 F CB -0.713 38.009 39.000 -0.464 0.000 1.013 708 F HN -0.039 nan 8.300 nan 0.000 0.486 709 I N -0.181 120.291 120.570 -0.164 0.000 2.163 709 I HA -0.326 3.844 4.170 0.000 0.000 0.243 709 I C 2.421 178.434 176.117 -0.174 0.000 1.085 709 I CA 1.385 62.610 61.300 -0.125 0.000 1.347 709 I CB -0.363 37.602 38.000 -0.060 0.000 1.044 709 I HN 0.050 nan 8.210 nan 0.000 0.408 710 R N 0.100 120.461 120.500 -0.232 0.000 2.083 710 R HA -0.154 4.186 4.340 0.000 0.000 0.237 710 R C 2.231 178.373 176.300 -0.262 0.000 1.137 710 R CA 1.666 57.634 56.100 -0.220 0.000 0.951 710 R CB -0.805 29.388 30.300 -0.178 0.000 0.851 710 R HN 0.188 nan 8.270 nan 0.000 0.434 711 V N 0.683 120.337 119.914 -0.434 0.000 2.233 711 V HA -0.324 3.796 4.120 0.000 0.000 0.252 711 V C 2.355 178.308 176.094 -0.235 0.000 1.063 711 V CA 2.238 64.312 62.300 -0.376 0.000 1.032 711 V CB -0.755 30.753 31.823 -0.525 0.000 0.645 711 V HN 0.164 nan 8.190 nan 0.000 0.446 712 V N 0.339 120.124 119.914 -0.215 0.000 2.287 712 V HA -0.305 3.815 4.120 0.000 0.000 0.248 712 V C 2.011 178.032 176.094 -0.121 0.000 1.053 712 V CA 2.685 64.890 62.300 -0.159 0.000 1.027 712 V CB -0.984 30.752 31.823 -0.146 0.000 0.646 712 V HN 0.615 nan 8.190 nan 0.000 0.447 713 N N -0.512 118.119 118.700 -0.115 0.000 2.461 713 N HA 0.008 4.748 4.740 0.000 0.000 0.188 713 N C 0.697 176.159 175.510 -0.079 0.000 1.134 713 N CA 0.088 53.087 53.050 -0.086 0.000 0.878 713 N CB 0.073 38.517 38.487 -0.071 0.000 0.972 713 N HN 0.271 nan 8.380 nan 0.000 0.456 714 S N -0.127 115.514 115.700 -0.097 0.000 2.533 714 S HA 0.037 4.507 4.470 0.000 0.000 0.282 714 S C 1.714 176.274 174.600 -0.066 0.000 1.304 714 S CA -0.561 57.590 58.200 -0.081 0.000 1.063 714 S CB 0.531 63.676 63.200 -0.091 0.000 0.881 714 S HN 0.010 nan 8.310 nan 0.000 0.493 715 V N 5.958 125.842 119.914 -0.050 0.000 2.250 715 V HA -0.344 3.776 4.120 0.000 0.000 0.253 715 V C 2.547 178.616 176.094 -0.042 0.000 1.065 715 V CA 2.407 64.683 62.300 -0.040 0.000 1.039 715 V CB -1.192 30.613 31.823 -0.030 0.000 0.647 715 V HN 1.007 nan 8.190 nan 0.000 0.446 716 N N 0.256 118.930 118.700 -0.044 0.000 2.258 716 N HA -0.286 4.454 4.740 0.000 0.000 0.187 716 N C 1.878 177.356 175.510 -0.053 0.000 1.012 716 N CA 2.430 55.452 53.050 -0.045 0.000 0.870 716 N CB -0.286 38.173 38.487 -0.046 0.000 0.977 716 N HN 0.619 nan 8.380 nan 0.000 0.434 717 M N 1.288 120.850 119.600 -0.064 0.000 2.556 717 M HA -0.067 4.413 4.480 0.000 0.000 0.264 717 M C 2.102 178.365 176.300 -0.062 0.000 1.163 717 M CA 1.219 56.476 55.300 -0.072 0.000 1.186 717 M CB -0.219 32.325 32.600 -0.094 0.000 1.321 717 M HN 0.231 nan 8.290 nan 0.000 0.485 718 T N -0.224 114.295 114.554 -0.058 0.000 2.685 718 T HA -0.151 4.199 4.350 0.000 0.000 0.268 718 T C 1.780 176.457 174.700 -0.039 0.000 1.034 718 T CA 1.591 63.662 62.100 -0.048 0.000 1.149 718 T CB -1.094 67.747 68.868 -0.045 0.000 0.860 718 T HN 0.475 nan 8.240 nan 0.000 0.449 719 A N 1.962 124.760 122.820 -0.036 0.000 1.972 719 A HA -0.026 4.294 4.320 0.000 0.000 0.219 719 A C 2.670 180.237 177.584 -0.029 0.000 1.169 719 A CA 2.155 54.175 52.037 -0.029 0.000 0.635 719 A CB -1.293 17.691 19.000 -0.027 0.000 0.810 719 A HN 0.783 nan 8.150 nan 0.000 0.446 720 T N -2.445 112.088 114.554 -0.035 0.000 3.100 720 T HA 0.305 4.655 4.350 0.000 0.000 0.253 720 T C 0.380 175.059 174.700 -0.034 0.000 1.118 720 T CA 0.524 62.604 62.100 -0.035 0.000 1.058 720 T CB -0.891 67.952 68.868 -0.041 0.000 0.953 720 T HN 0.736 nan 8.240 nan 0.000 0.515 721 V N -1.194 118.699 119.914 -0.034 0.000 2.769 721 V HA 0.562 4.682 4.120 0.000 0.000 0.312 721 V C -0.261 175.819 176.094 -0.023 0.000 1.061 721 V CA -1.669 60.612 62.300 -0.032 0.000 0.931 721 V CB 1.515 33.313 31.823 -0.041 0.000 1.010 721 V HN 0.114 nan 8.190 nan 0.000 0.433 722 N N 2.868 121.557 118.700 -0.017 0.000 2.429 722 N HA -0.067 4.673 4.740 0.000 0.000 0.271 722 N C 0.944 176.446 175.510 -0.014 0.000 1.272 722 N CA 0.751 53.793 53.050 -0.013 0.000 0.921 722 N CB 0.630 39.113 38.487 -0.007 0.000 1.128 722 N HN 1.052 nan 8.380 nan 0.000 0.481 723 D N 3.132 123.523 120.400 -0.014 0.000 2.149 723 D HA -0.232 4.408 4.640 0.000 0.000 0.194 723 D C 1.810 178.104 176.300 -0.010 0.000 1.001 723 D CA 0.975 54.967 54.000 -0.014 0.000 0.849 723 D CB 0.404 41.196 40.800 -0.013 0.000 0.939 723 D HN 0.507 nan 8.370 nan 0.000 0.449 724 L N 0.970 122.189 121.223 -0.007 0.000 2.013 724 L HA -0.193 4.147 4.340 0.000 0.000 0.212 724 L C 2.473 179.343 176.870 0.001 0.000 1.073 724 L CA 2.056 56.894 54.840 -0.002 0.000 0.753 724 L CB -1.059 41.000 42.059 -0.001 0.000 0.890 724 L HN -0.004 nan 8.230 nan 0.000 0.432 725 T N -0.085 114.469 114.554 -0.001 0.000 2.684 725 T HA -0.233 4.117 4.350 0.000 0.000 0.267 725 T C 2.015 176.713 174.700 -0.003 0.000 1.036 725 T CA 1.542 63.643 62.100 0.002 0.000 1.148 725 T CB -0.360 68.509 68.868 0.000 0.000 0.863 725 T HN 0.348 nan 8.240 nan 0.000 0.436 726 R N 1.430 121.921 120.500 -0.015 0.000 2.083 726 R HA -0.080 4.260 4.340 0.000 0.000 0.237 726 R C 2.432 178.723 176.300 -0.014 0.000 1.137 726 R CA 1.617 57.702 56.100 -0.024 0.000 0.951 726 R CB -0.514 29.766 30.300 -0.034 0.000 0.851 726 R HN 0.339 nan 8.270 nan 0.000 0.434 727 R N -0.315 120.181 120.500 -0.006 0.000 2.112 727 R HA -0.145 4.195 4.340 0.000 0.000 0.242 727 R C 2.188 178.496 176.300 0.013 0.000 1.137 727 R CA 2.646 58.746 56.100 0.001 0.000 0.944 727 R CB -0.448 29.852 30.300 0.001 0.000 0.857 727 R HN 0.313 nan 8.270 nan 0.000 0.435 728 T N 1.059 115.624 114.554 0.018 0.000 2.708 728 T HA -0.180 4.170 4.350 0.000 0.000 0.266 728 T C 1.852 176.585 174.700 0.055 0.000 1.037 728 T CA 1.835 63.955 62.100 0.033 0.000 1.146 728 T CB -0.167 68.721 68.868 0.033 0.000 0.865 728 T HN 0.249 nan 8.240 nan 0.000 0.435 729 M N 1.444 121.076 119.600 0.053 0.000 2.204 729 M HA -0.216 4.264 4.480 0.000 0.000 0.255 729 M C 2.666 179.016 176.300 0.082 0.000 1.073 729 M CA 2.403 57.746 55.300 0.072 0.000 1.084 729 M CB -1.382 31.216 32.600 -0.003 0.000 1.289 729 M HN 0.425 nan 8.290 nan 0.000 0.419 730 T N -1.840 112.734 114.554 0.032 0.000 2.788 730 T HA -0.059 4.291 4.350 0.000 0.000 0.268 730 T C 1.874 176.603 174.700 0.048 0.000 1.044 730 T CA 1.314 63.430 62.100 0.028 0.000 1.139 730 T CB -1.405 67.464 68.868 0.003 0.000 0.867 730 T HN 0.561 nan 8.240 nan 0.000 0.454 731 G N 2.074 110.902 108.800 0.047 0.000 2.511 731 G HA2 -0.172 3.788 3.960 0.000 0.000 0.216 731 G HA3 -0.172 3.788 3.960 0.000 0.000 0.216 731 G C 1.593 176.528 174.900 0.059 0.000 1.218 731 G CA 1.429 46.555 45.100 0.044 0.000 0.788 731 G HN 0.467 nan 8.290 nan 0.000 0.560 732 V N 1.489 121.450 119.914 0.077 0.000 2.232 732 V HA -0.431 3.689 4.120 0.000 0.000 0.251 732 V C 2.799 178.959 176.094 0.110 0.000 1.048 732 V CA 2.879 65.234 62.300 0.091 0.000 1.029 732 V CB -1.067 30.829 31.823 0.122 0.000 0.658 732 V HN 0.432 nan 8.190 nan 0.000 0.464 733 M N 0.828 120.535 119.600 0.179 0.000 2.270 733 M HA -0.312 4.168 4.480 0.000 0.000 0.254 733 M C 2.373 178.744 176.300 0.118 0.000 1.072 733 M CA 3.342 58.750 55.300 0.179 0.000 1.077 733 M CB -1.269 31.416 32.600 0.143 0.000 1.288 733 M HN 0.787 nan 8.290 nan 0.000 0.424 734 T N -1.601 113.005 114.554 0.087 0.000 2.746 734 T HA -0.058 4.292 4.350 0.000 0.000 0.267 734 T C 1.862 176.601 174.700 0.064 0.000 1.039 734 T CA 1.358 63.500 62.100 0.070 0.000 1.142 734 T CB -0.766 68.132 68.868 0.050 0.000 0.866 734 T HN 0.456 nan 8.240 nan 0.000 0.444 735 A N 1.595 124.448 122.820 0.055 0.000 1.978 735 A HA 0.026 4.346 4.320 0.000 0.000 0.220 735 A C 2.482 180.096 177.584 0.050 0.000 1.170 735 A CA 1.923 53.987 52.037 0.045 0.000 0.636 735 A CB -0.862 18.156 19.000 0.030 0.000 0.810 735 A HN 0.659 nan 8.150 nan 0.000 0.448 736 M N -1.193 118.440 119.600 0.056 0.000 2.099 736 M HA -0.120 4.360 4.480 0.000 0.000 0.262 736 M C 2.338 178.688 176.300 0.083 0.000 1.067 736 M CA 1.868 57.200 55.300 0.055 0.000 1.124 736 M CB -0.194 32.441 32.600 0.058 0.000 1.353 736 M HN 0.424 nan 8.290 nan 0.000 0.410 737 R N -0.174 120.388 120.500 0.103 0.000 2.096 737 R HA -0.186 4.154 4.340 0.000 0.000 0.235 737 R C 1.937 178.330 176.300 0.155 0.000 1.127 737 R CA 1.874 58.051 56.100 0.129 0.000 0.968 737 R CB -0.117 30.255 30.300 0.120 0.000 0.861 737 R HN 0.425 nan 8.270 nan 0.000 0.440 738 Q N -0.090 119.781 119.800 0.119 0.000 2.364 738 Q HA -0.001 4.339 4.340 0.000 0.000 0.207 738 Q C 0.155 176.260 176.000 0.175 0.000 0.970 738 Q CA 0.355 56.233 55.803 0.126 0.000 0.888 738 Q CB 0.064 28.840 28.738 0.062 0.000 0.951 738 Q HN 0.067 nan 8.270 nan 0.000 0.469 739 V N 2.049 122.044 119.914 0.136 0.000 2.752 739 V HA -0.149 3.971 4.120 0.000 0.000 0.306 739 V C 0.461 176.640 176.094 0.142 0.000 1.099 739 V CA 0.442 62.805 62.300 0.105 0.000 1.240 739 V CB 0.410 32.260 31.823 0.046 0.000 0.887 739 V HN 0.198 nan 8.190 nan 0.000 0.499 740 K N 3.098 123.565 120.400 0.111 0.000 2.054 740 K HA 0.131 4.451 4.320 0.000 0.000 0.242 740 K C 0.222 176.769 176.600 -0.089 0.000 1.157 740 K CA 0.384 56.696 56.287 0.042 0.000 1.079 740 K CB -0.002 32.542 32.500 0.074 0.000 1.331 740 K HN 0.699 nan 8.250 nan 0.000 0.317 741 T N 3.578 118.009 114.554 -0.205 0.000 2.821 741 T HA 0.172 4.522 4.350 0.000 0.000 0.307 741 T C 1.203 175.802 174.700 -0.168 0.000 1.034 741 T CA -0.670 61.328 62.100 -0.170 0.000 0.953 741 T CB 0.238 69.026 68.868 -0.134 0.000 0.968 741 T HN 0.278 nan 8.240 nan 0.000 0.462 742 M N 2.655 122.215 119.600 -0.066 0.000 2.117 742 M HA -0.056 4.424 4.480 0.000 0.000 0.262 742 M C 2.681 179.093 176.300 0.186 0.000 1.065 742 M CA 1.846 57.202 55.300 0.094 0.000 1.114 742 M CB -1.814 30.876 32.600 0.150 0.000 1.361 742 M HN 0.812 nan 8.290 nan 0.000 0.408 743 T N -0.610 113.967 114.554 0.038 0.000 2.701 743 T HA -0.180 4.170 4.350 0.000 0.000 0.265 743 T C -0.841 173.910 174.700 0.085 0.000 1.032 743 T CA 1.769 63.874 62.100 0.008 0.000 1.158 743 T CB -2.325 66.440 68.868 -0.172 0.000 0.854 743 T HN 0.237 nan 8.240 nan 0.000 0.463 744 P HA 0.056 nan 4.420 nan 0.000 0.219 744 P C 1.395 178.824 177.300 0.215 0.000 1.150 744 P CA 0.544 63.682 63.100 0.064 0.000 0.814 744 P CB -0.282 31.432 31.700 0.023 0.000 0.787 745 F N -0.948 119.057 119.950 0.091 0.000 2.146 745 F HA -0.177 4.350 4.527 0.000 0.000 0.298 745 F C 2.217 178.160 175.800 0.239 0.000 1.096 745 F CA 1.149 59.241 58.000 0.153 0.000 1.275 745 F CB -1.159 37.834 39.000 -0.012 0.000 1.008 745 F HN -0.173 nan 8.300 nan 0.000 0.480 746 Y N 0.301 120.542 120.300 -0.097 0.000 2.181 746 Y HA -0.216 4.334 4.550 0.000 0.000 0.288 746 Y C 2.280 178.159 175.900 -0.035 0.000 1.146 746 Y CA 1.893 59.877 58.100 -0.194 0.000 1.164 746 Y CB -0.362 38.087 38.460 -0.019 0.000 0.982 746 Y HN 0.104 nan 8.280 nan 0.000 0.515 747 I N 0.050 120.779 120.570 0.264 0.000 2.118 747 I HA -0.367 3.803 4.170 0.000 0.000 0.241 747 I C 2.294 178.531 176.117 0.199 0.000 1.070 747 I CA 1.717 63.128 61.300 0.185 0.000 1.327 747 I CB -0.436 37.543 38.000 -0.036 0.000 1.034 747 I HN 0.199 nan 8.210 nan 0.000 0.405 748 Q N -0.885 119.003 119.800 0.147 0.000 2.224 748 Q HA -0.161 4.179 4.340 0.000 0.000 0.203 748 Q C 1.832 177.771 176.000 -0.102 0.000 0.970 748 Q CA 1.651 57.497 55.803 0.071 0.000 0.865 748 Q CB -0.054 28.713 28.738 0.048 0.000 0.922 748 Q HN 0.650 nan 8.270 nan 0.000 0.445 749 H N -3.251 115.744 119.070 -0.126 0.000 2.545 749 H HA 0.217 4.773 4.556 0.000 0.000 0.283 749 H C 0.898 176.059 175.328 -0.278 0.000 0.997 749 H CA 0.858 56.767 56.048 -0.231 0.000 1.269 749 H CB 0.496 30.033 29.762 -0.375 0.000 1.451 749 H HN 0.108 nan 8.280 nan 0.000 0.508 750 M N -1.030 118.438 119.600 -0.219 0.000 2.740 750 M HA 0.118 4.598 4.480 0.000 0.000 0.253 750 M C 1.813 178.022 176.300 -0.151 0.000 1.341 750 M CA 0.318 55.470 55.300 -0.247 0.000 1.176 750 M CB -0.000 32.235 32.600 -0.607 0.000 1.310 750 M HN 0.181 nan 8.290 nan 0.000 0.531 751 C N 1.156 120.419 119.300 -0.062 0.000 2.398 751 C HA -0.133 4.327 4.460 0.000 0.000 0.279 751 C C -0.291 174.384 174.990 -0.524 0.000 1.250 751 C CA 0.855 59.805 59.018 -0.112 0.000 1.786 751 C CB -1.943 25.874 27.740 0.128 0.000 2.018 751 C HN 0.352 nan 8.230 nan 0.000 0.494 752 P HA -0.141 nan 4.420 nan 0.000 0.212 752 P C 1.911 178.615 177.300 -0.994 0.000 1.178 752 P CA 3.022 65.331 63.100 -1.318 0.000 0.915 752 P CB -0.407 30.686 31.700 -1.012 0.000 0.788 753 T N -2.615 111.638 114.554 -0.502 0.000 2.881 753 T HA -0.161 4.189 4.350 0.000 0.000 0.270 753 T C 1.607 176.175 174.700 -0.218 0.000 1.068 753 T CA 1.178 63.114 62.100 -0.273 0.000 1.131 753 T CB -1.034 67.722 68.868 -0.187 0.000 0.871 753 T HN 0.233 nan 8.240 nan 0.000 0.479 754 E N 1.267 121.354 120.200 -0.189 0.000 2.085 754 E HA -0.073 4.277 4.350 0.000 0.000 0.194 754 E C 2.158 178.685 176.600 -0.121 0.000 0.994 754 E CA 1.345 57.700 56.400 -0.076 0.000 0.801 754 E CB -0.396 29.337 29.700 0.056 0.000 0.743 754 E HN 0.524 nan 8.360 nan 0.000 0.453 755 L N 0.630 121.765 121.223 -0.148 0.000 2.179 755 L HA -0.097 4.243 4.340 0.000 0.000 0.208 755 L C 2.497 179.359 176.870 -0.014 0.000 1.096 755 L CA 0.403 55.194 54.840 -0.081 0.000 0.779 755 L CB -0.237 41.798 42.059 -0.041 0.000 0.922 755 L HN 0.023 nan 8.230 nan 0.000 0.443 756 S N 0.513 116.247 115.700 0.057 0.000 2.365 756 S HA -0.232 4.238 4.470 0.000 0.000 0.221 756 S C 2.123 176.747 174.600 0.040 0.000 1.037 756 S CA 1.795 60.092 58.200 0.162 0.000 1.060 756 S CB -0.756 62.583 63.200 0.231 0.000 0.974 756 S HN 0.427 nan 8.310 nan 0.000 0.427 757 V N 1.773 121.623 119.914 -0.106 0.000 2.324 757 V HA -0.227 3.893 4.120 0.000 0.000 0.250 757 V C 1.976 177.881 176.094 -0.315 0.000 1.060 757 V CA 1.932 64.089 62.300 -0.239 0.000 1.042 757 V CB -1.300 30.126 31.823 -0.662 0.000 0.650 757 V HN 0.468 nan 8.190 nan 0.000 0.450 758 L N 1.050 122.114 121.223 -0.265 0.000 1.971 758 L HA -0.141 4.199 4.340 0.000 0.000 0.215 758 L C 3.141 179.923 176.870 -0.147 0.000 1.072 758 L CA 2.211 56.931 54.840 -0.200 0.000 0.758 758 L CB -1.301 40.678 42.059 -0.134 0.000 0.889 758 L HN 0.433 nan 8.230 nan 0.000 0.433 759 A N -0.897 121.849 122.820 -0.123 0.000 1.958 759 A HA -0.289 4.031 4.320 0.000 0.000 0.221 759 A C 2.546 180.106 177.584 -0.040 0.000 1.178 759 A CA 2.384 54.329 52.037 -0.154 0.000 0.642 759 A CB -0.792 18.006 19.000 -0.336 0.000 0.816 759 A HN 0.405 nan 8.150 nan 0.000 0.453 760 S N -1.134 114.592 115.700 0.043 0.000 2.428 760 S HA -0.030 4.440 4.470 0.000 0.000 0.230 760 S C 1.450 176.015 174.600 -0.059 0.000 1.014 760 S CA 1.505 59.745 58.200 0.068 0.000 0.957 760 S CB -0.281 63.019 63.200 0.168 0.000 0.784 760 S HN 1.084 nan 8.310 nan 0.000 0.499 761 V N 0.535 120.367 119.914 -0.135 0.000 3.276 761 V HA 0.394 4.514 4.120 0.000 0.000 0.319 761 V C 0.384 176.393 176.094 -0.141 0.000 1.427 761 V CA 0.085 62.277 62.300 -0.180 0.000 1.102 761 V CB -0.652 31.003 31.823 -0.280 0.000 1.020 761 V HN 0.433 nan 8.190 nan 0.000 0.456 762 T N -1.135 113.360 114.554 -0.098 0.000 2.940 762 T HA 0.315 4.665 4.350 0.000 0.000 0.309 762 T C 1.406 176.071 174.700 -0.058 0.000 1.056 762 T CA 0.434 62.503 62.100 -0.052 0.000 1.137 762 T CB 1.528 70.408 68.868 0.019 0.000 0.976 762 T HN 0.217 nan 8.240 nan 0.000 0.547 763 V N 2.051 121.926 119.914 -0.064 0.000 2.282 763 V HA -0.099 4.021 4.120 0.000 0.000 0.249 763 V C 1.594 177.609 176.094 -0.132 0.000 1.057 763 V CA 1.736 63.979 62.300 -0.094 0.000 1.032 763 V CB -1.164 30.604 31.823 -0.092 0.000 0.645 763 V HN 1.045 nan 8.190 nan 0.000 0.447 764 T N 1.438 115.937 114.554 -0.091 0.000 2.874 764 T HA 0.398 4.748 4.350 0.000 0.000 0.321 764 T C -2.470 172.290 174.700 0.100 0.000 1.075 764 T CA -1.097 60.958 62.100 -0.075 0.000 0.966 764 T CB 1.340 70.116 68.868 -0.152 0.000 1.001 764 T HN 0.163 nan 8.240 nan 0.000 0.476 765 P HA -0.023 nan 4.420 nan 0.000 0.265 765 P C -2.337 175.085 177.300 0.203 0.000 1.167 765 P CA -0.763 62.390 63.100 0.089 0.000 0.760 765 P CB -0.279 31.456 31.700 0.059 0.000 0.783 766 P HA -0.061 nan 4.420 nan 0.000 0.260 766 P C -0.807 176.587 177.300 0.157 0.000 1.185 766 P CA 0.657 63.714 63.100 -0.073 0.000 0.763 766 P CB -0.099 31.369 31.700 -0.386 0.000 0.776 767 F N 4.400 124.455 119.950 0.175 0.000 2.307 767 F HA 0.312 4.839 4.527 0.000 0.000 0.369 767 F C 0.112 176.021 175.800 0.182 0.000 1.076 767 F CA -0.545 57.574 58.000 0.198 0.000 1.149 767 F CB 0.780 39.924 39.000 0.241 0.000 1.410 767 F HN 0.242 nan 8.300 nan 0.000 0.481 768 Q N 3.297 122.866 119.800 -0.384 0.000 2.309 768 Q HA 0.712 5.052 4.340 0.000 0.000 0.264 768 Q C -1.336 174.453 176.000 -0.351 0.000 1.008 768 Q CA -1.118 54.501 55.803 -0.307 0.000 0.853 768 Q CB 3.300 31.959 28.738 -0.131 0.000 1.314 768 Q HN 0.295 nan 8.270 nan 0.000 0.448 769 V N 3.128 122.847 119.914 -0.324 0.000 2.531 769 V HA 0.301 4.421 4.120 0.000 0.000 0.301 769 V C -2.342 173.606 176.094 -0.242 0.000 1.034 769 V CA -2.124 59.929 62.300 -0.411 0.000 0.865 769 V CB 1.721 33.151 31.823 -0.656 0.000 0.995 769 V HN 0.682 nan 8.190 nan 0.000 0.424 770 P HA -0.124 nan 4.420 nan 0.000 0.255 770 P C -0.637 176.620 177.300 -0.070 0.000 1.141 770 P CA 0.627 63.666 63.100 -0.101 0.000 0.767 770 P CB -0.129 31.498 31.700 -0.121 0.000 0.726 771 F N 4.625 124.534 119.950 -0.068 0.000 2.434 771 F HA 0.096 4.623 4.527 0.000 0.000 0.358 771 F C 1.424 177.208 175.800 -0.027 0.000 1.136 771 F CA 0.114 58.093 58.000 -0.036 0.000 1.157 771 F CB 0.076 39.056 39.000 -0.032 0.000 1.167 771 F HN 0.252 nan 8.300 nan 0.000 0.539 772 T N 2.689 117.107 114.554 -0.227 0.000 2.773 772 T HA 0.244 4.594 4.350 0.000 0.000 0.337 772 T C 1.116 175.857 174.700 0.068 0.000 1.086 772 T CA -0.240 61.822 62.100 -0.063 0.000 0.998 772 T CB 1.115 69.935 68.868 -0.081 0.000 1.281 772 T HN 0.741 nan 8.240 nan 0.000 0.525 773 R N -0.691 119.869 120.500 0.101 0.000 2.450 773 R HA 0.341 4.681 4.340 0.000 0.000 0.149 773 R C 0.602 176.980 176.300 0.129 0.000 1.895 773 R CA 0.185 56.394 56.100 0.182 0.000 1.488 773 R CB -0.176 30.210 30.300 0.144 0.000 1.316 773 R HN 0.583 nan 8.270 nan 0.000 0.474 774 L N 0.704 121.974 121.223 0.078 0.000 3.393 774 L HA 0.449 4.789 4.340 0.000 0.000 0.319 774 L C -0.776 176.335 176.870 0.402 0.000 1.309 774 L CA -0.746 54.175 54.840 0.136 0.000 0.962 774 L CB 1.395 43.373 42.059 -0.134 0.000 1.391 774 L HN -0.023 nan 8.230 nan 0.000 0.607 775 V N -2.131 117.938 119.914 0.258 0.000 2.299 775 V HA 0.327 4.447 4.120 0.000 0.000 0.255 775 V C 1.616 177.684 176.094 -0.044 0.000 1.100 775 V CA -0.247 62.134 62.300 0.135 0.000 0.938 775 V CB 0.765 32.623 31.823 0.059 0.000 1.139 775 V HN 0.510 nan 8.190 nan 0.000 0.490 776 Q N 4.844 124.561 119.800 -0.137 0.000 2.047 776 Q HA -0.299 4.041 4.340 0.000 0.000 0.211 776 Q C 1.646 177.492 176.000 -0.256 0.000 1.005 776 Q CA 3.050 58.500 55.803 -0.588 0.000 0.866 776 Q CB -0.239 28.346 28.738 -0.255 0.000 0.938 776 Q HN 0.948 nan 8.270 nan 0.000 0.414 777 N N 0.585 119.274 118.700 -0.018 0.000 2.519 777 N HA -0.080 4.660 4.740 0.000 0.000 0.186 777 N C -0.425 175.149 175.510 0.107 0.000 1.062 777 N CA 0.979 54.109 53.050 0.132 0.000 0.910 777 N CB 0.193 38.717 38.487 0.061 0.000 0.958 777 N HN 0.219 nan 8.380 nan 0.000 0.445 778 D N 0.683 121.107 120.400 0.040 0.000 2.443 778 D HA 0.190 4.830 4.640 0.000 0.000 0.281 778 D C -1.060 175.242 176.300 0.004 0.000 1.210 778 D CA -0.094 53.923 54.000 0.027 0.000 0.875 778 D CB 1.370 42.175 40.800 0.009 0.000 1.125 778 D HN -0.158 nan 8.370 nan 0.000 0.503 779 V N 1.939 121.890 119.914 0.061 0.000 2.656 779 V HA 0.350 4.470 4.120 0.000 0.000 0.307 779 V C 0.280 176.444 176.094 0.117 0.000 1.051 779 V CA -0.975 61.327 62.300 0.004 0.000 0.893 779 V CB 2.610 34.334 31.823 -0.165 0.000 0.999 779 V HN 0.239 nan 8.190 nan 0.000 0.426 780 I N 3.763 124.385 120.570 0.087 0.000 2.556 780 I HA 0.143 4.313 4.170 0.000 0.000 0.284 780 I C 1.619 177.838 176.117 0.170 0.000 1.114 780 I CA 0.430 61.813 61.300 0.140 0.000 1.418 780 I CB 0.903 38.963 38.000 0.101 0.000 1.394 780 I HN 0.924 nan 8.210 nan 0.000 0.552 781 T N 2.320 116.962 114.554 0.146 0.000 3.010 781 T HA 0.143 4.493 4.350 0.000 0.000 0.252 781 T C 0.865 175.632 174.700 0.111 0.000 1.047 781 T CA 0.215 62.403 62.100 0.146 0.000 1.140 781 T CB 0.455 69.395 68.868 0.120 0.000 0.885 781 T HN 0.645 nan 8.240 nan 0.000 0.464 782 N N -0.924 117.830 118.700 0.090 0.000 3.355 782 N HA 0.385 5.125 4.740 0.000 0.000 0.238 782 N C -2.286 173.301 175.510 0.129 0.000 1.466 782 N CA -0.427 52.682 53.050 0.099 0.000 0.882 782 N CB 2.236 40.764 38.487 0.068 0.000 1.406 782 N HN 0.015 nan 8.380 nan 0.000 0.500 783 V N 1.694 121.711 119.914 0.171 0.000 2.680 783 V HA 0.645 4.765 4.120 0.000 0.000 0.309 783 V C -0.581 175.677 176.094 0.274 0.000 1.052 783 V CA -0.550 61.889 62.300 0.233 0.000 0.908 783 V CB 1.879 33.875 31.823 0.289 0.000 1.001 783 V HN 0.455 nan 8.190 nan 0.000 0.431 784 L N 4.094 125.483 121.223 0.277 0.000 2.370 784 L HA 0.788 5.128 4.340 0.000 0.000 0.266 784 L C -0.591 176.417 176.870 0.230 0.000 1.002 784 L CA -0.632 54.356 54.840 0.247 0.000 0.818 784 L CB 2.370 44.514 42.059 0.143 0.000 1.325 784 L HN 0.600 nan 8.230 nan 0.000 0.418 785 V N 0.118 120.169 119.914 0.230 0.000 2.444 785 V HA 0.942 5.062 4.120 0.000 0.000 0.294 785 V C -0.224 175.962 176.094 0.152 0.000 1.022 785 V CA -0.804 61.562 62.300 0.111 0.000 0.850 785 V CB 1.361 33.169 31.823 -0.025 0.000 0.992 785 V HN 0.798 nan 8.190 nan 0.000 0.426 786 A N 6.166 129.020 122.820 0.058 0.000 2.253 786 A HA 0.697 5.017 4.320 0.000 0.000 0.316 786 A C 1.045 178.698 177.584 0.114 0.000 1.327 786 A CA -0.727 51.348 52.037 0.064 0.000 0.917 786 A CB 0.682 19.592 19.000 -0.152 0.000 1.162 786 A HN 1.006 nan 8.150 nan 0.000 0.535 787 R N 2.219 122.854 120.500 0.225 0.000 2.237 787 R HA 0.240 4.580 4.340 0.000 0.000 0.195 787 R C -0.074 176.337 176.300 0.185 0.000 0.956 787 R CA 0.585 56.768 56.100 0.137 0.000 1.029 787 R CB -0.272 30.042 30.300 0.024 0.000 0.972 787 R HN 0.643 nan 8.270 nan 0.000 0.493 788 V N 1.030 121.099 119.914 0.259 0.000 3.147 788 V HA 0.355 4.475 4.120 0.000 0.000 0.299 788 V C -2.129 174.102 176.094 0.228 0.000 1.302 788 V CA -0.871 61.563 62.300 0.223 0.000 1.015 788 V CB 2.820 34.749 31.823 0.177 0.000 1.086 788 V HN 0.159 nan 8.190 nan 0.000 0.437 789 D N 5.513 126.015 120.400 0.171 0.000 2.473 789 D HA 0.386 5.026 4.640 0.000 0.000 0.253 789 D C -2.635 173.723 176.300 0.097 0.000 1.233 789 D CA -0.860 53.219 54.000 0.132 0.000 0.908 789 D CB 2.426 43.298 40.800 0.121 0.000 1.170 789 D HN 0.466 nan 8.370 nan 0.000 0.558 790 P HA 0.157 nan 4.420 nan 0.000 0.268 790 P C 0.718 178.041 177.300 0.037 0.000 1.485 790 P CA 0.120 63.254 63.100 0.057 0.000 1.102 790 P CB 0.845 32.580 31.700 0.059 0.000 1.501 791 A N 4.508 127.342 122.820 0.024 0.000 1.387 791 A HA -0.283 4.037 4.320 0.000 0.000 0.351 791 A C 1.154 178.747 177.584 0.015 0.000 1.649 791 A CA 2.188 54.229 52.037 0.007 0.000 1.088 791 A CB -2.167 16.833 19.000 -0.002 0.000 1.472 791 A HN 0.586 nan 8.150 nan 0.000 0.721 792 Q N -0.270 119.540 119.800 0.017 0.000 2.088 792 Q HA 0.321 4.661 4.340 0.000 0.000 0.270 792 Q C 0.027 176.040 176.000 0.021 0.000 0.854 792 Q CA 0.156 55.969 55.803 0.017 0.000 1.104 792 Q CB 0.001 28.744 28.738 0.008 0.000 1.251 792 Q HN 0.827 nan 8.270 nan 0.000 0.436 793 R N 0.529 121.047 120.500 0.030 0.000 2.446 793 R HA 0.213 4.553 4.340 0.000 0.000 0.314 793 R C 0.199 176.516 176.300 0.029 0.000 1.003 793 R CA 0.999 57.117 56.100 0.030 0.000 1.018 793 R CB 0.155 30.478 30.300 0.038 0.000 0.945 793 R HN 0.418 nan 8.270 nan 0.000 0.419 794 G N 3.236 112.049 108.800 0.021 0.000 3.690 794 G HA2 0.013 3.974 3.960 0.000 0.000 0.283 794 G HA3 0.013 3.974 3.960 0.000 0.000 0.283 794 G C -0.342 174.566 174.900 0.012 0.000 1.057 794 G CA -0.376 44.737 45.100 0.021 0.000 0.821 794 G HN 0.702 nan 8.290 nan 0.000 0.526 795 D N 1.514 121.919 120.400 0.009 0.000 2.663 795 D HA 0.404 5.044 4.640 0.000 0.000 0.243 795 D C 2.085 178.381 176.300 -0.007 0.000 1.218 795 D CA 0.379 54.380 54.000 0.002 0.000 0.846 795 D CB 0.612 41.416 40.800 0.007 0.000 1.014 795 D HN 0.277 nan 8.370 nan 0.000 0.476 796 A N 1.685 124.499 122.820 -0.010 0.000 2.654 796 A HA -0.347 3.973 4.320 0.000 0.000 0.228 796 A C 2.351 179.913 177.584 -0.037 0.000 1.418 796 A CA 2.340 54.364 52.037 -0.022 0.000 1.034 796 A CB -1.281 17.712 19.000 -0.012 0.000 0.682 796 A HN 0.412 nan 8.150 nan 0.000 0.524 797 A N -1.974 120.818 122.820 -0.046 0.000 2.024 797 A HA 0.082 4.402 4.320 0.000 0.000 0.220 797 A C 2.175 179.735 177.584 -0.039 0.000 1.164 797 A CA 2.125 54.128 52.037 -0.057 0.000 0.643 797 A CB -0.912 18.038 19.000 -0.083 0.000 0.806 797 A HN 0.698 nan 8.150 nan 0.000 0.451 798 V N -0.015 119.883 119.914 -0.026 0.000 2.323 798 V HA -0.221 3.899 4.120 0.000 0.000 0.244 798 V C 2.061 178.152 176.094 -0.005 0.000 1.041 798 V CA 2.357 64.647 62.300 -0.016 0.000 1.025 798 V CB -0.815 31.001 31.823 -0.011 0.000 0.656 798 V HN 0.534 nan 8.190 nan 0.000 0.451 799 D N -0.309 120.092 120.400 0.001 0.000 2.120 799 D HA -0.074 4.566 4.640 0.000 0.000 0.202 799 D C 1.962 178.277 176.300 0.025 0.000 0.972 799 D CA 0.804 54.815 54.000 0.018 0.000 0.837 799 D CB -0.104 40.712 40.800 0.026 0.000 0.989 799 D HN 0.265 nan 8.370 nan 0.000 0.469 800 I N 0.566 121.132 120.570 -0.006 0.000 2.286 800 I HA -0.200 3.970 4.170 0.000 0.000 0.248 800 I C 2.172 178.303 176.117 0.024 0.000 1.115 800 I CA 0.939 62.233 61.300 -0.009 0.000 1.392 800 I CB -0.123 37.839 38.000 -0.064 0.000 1.065 800 I HN -0.142 nan 8.210 nan 0.000 0.418 801 R N 1.089 121.590 120.500 0.000 0.000 2.091 801 R HA -0.119 4.221 4.340 0.000 0.000 0.238 801 R C 1.910 178.219 176.300 0.014 0.000 1.136 801 R CA 2.167 58.267 56.100 -0.001 0.000 0.959 801 R CB -0.628 29.660 30.300 -0.020 0.000 0.856 801 R HN 0.353 nan 8.270 nan 0.000 0.437 802 A N -1.718 121.115 122.820 0.021 0.000 2.252 802 A HA 0.114 4.434 4.320 0.000 0.000 0.213 802 A C 1.607 179.220 177.584 0.047 0.000 1.188 802 A CA 0.807 52.859 52.037 0.026 0.000 0.863 802 A CB -0.049 18.959 19.000 0.014 0.000 0.893 802 A HN 0.552 nan 8.150 nan 0.000 0.495 803 T N -4.366 110.239 114.554 0.085 0.000 2.955 803 T HA 0.296 4.646 4.350 0.000 0.000 0.251 803 T C 0.533 175.340 174.700 0.177 0.000 1.002 803 T CA 0.170 62.342 62.100 0.120 0.000 0.970 803 T CB -0.153 68.796 68.868 0.134 0.000 1.091 803 T HN 0.345 nan 8.240 nan 0.000 0.495 804 H N 0.643 119.730 119.070 0.029 0.000 2.710 804 H HA 0.750 5.306 4.556 0.000 0.000 0.361 804 H C -0.246 175.107 175.328 0.042 0.000 1.175 804 H CA -0.333 55.737 56.048 0.037 0.000 1.206 804 H CB 1.615 31.399 29.762 0.038 0.000 1.750 804 H HN 0.355 nan 8.280 nan 0.000 0.553 805 A N 1.463 124.422 122.820 0.232 0.000 2.473 805 A HA 0.192 4.512 4.320 0.000 0.000 0.282 805 A C 0.200 177.889 177.584 0.176 0.000 1.163 805 A CA 0.107 52.243 52.037 0.165 0.000 0.827 805 A CB -0.978 18.178 19.000 0.261 0.000 1.098 805 A HN 0.679 nan 8.150 nan 0.000 0.515 806 T N 0.902 115.453 114.554 -0.005 0.000 2.782 806 T HA 0.470 4.820 4.350 0.000 0.000 0.298 806 T C -0.529 174.018 174.700 -0.255 0.000 0.944 806 T CA -0.245 61.839 62.100 -0.027 0.000 1.001 806 T CB -0.617 68.243 68.868 -0.014 0.000 0.932 806 T HN 0.260 nan 8.240 nan 0.000 0.524 807 F N 3.430 123.431 119.950 0.085 0.000 2.515 807 F HA 0.541 5.068 4.527 0.000 0.000 0.353 807 F C 0.783 176.662 175.800 0.131 0.000 1.213 807 F CA -0.526 57.533 58.000 0.099 0.000 1.194 807 F CB 0.097 39.151 39.000 0.089 0.000 1.488 807 F HN 0.884 nan 8.300 nan 0.000 0.619 808 A N 2.591 125.454 122.820 0.071 0.000 2.476 808 A HA 0.794 5.114 4.320 0.000 0.000 0.280 808 A C -0.726 176.902 177.584 0.074 0.000 1.081 808 A CA -0.591 51.521 52.037 0.125 0.000 0.753 808 A CB 0.415 19.498 19.000 0.138 0.000 1.248 808 A HN 0.634 nan 8.150 nan 0.000 0.424 809 A N 1.589 124.476 122.820 0.111 0.000 2.316 809 A HA 0.831 5.151 4.320 0.000 0.000 0.284 809 A C 0.400 178.045 177.584 0.102 0.000 1.115 809 A CA 0.185 52.273 52.037 0.086 0.000 0.812 809 A CB 0.739 19.795 19.000 0.094 0.000 1.064 809 A HN 2.274 nan 8.150 nan 0.000 0.489 810 A N 1.782 124.653 122.820 0.085 0.000 2.318 810 A HA 0.690 5.010 4.320 0.000 0.000 0.317 810 A C -0.887 176.750 177.584 0.088 0.000 1.159 810 A CA -0.396 51.699 52.037 0.096 0.000 0.799 810 A CB 0.510 19.566 19.000 0.092 0.000 1.194 810 A HN 0.812 nan 8.150 nan 0.000 0.479 811 L N 3.611 124.893 121.223 0.098 0.000 2.415 811 L HA 0.351 4.691 4.340 0.000 0.000 0.268 811 L C -2.612 174.314 176.870 0.093 0.000 0.984 811 L CA -1.849 53.043 54.840 0.086 0.000 0.853 811 L CB 2.300 44.406 42.059 0.077 0.000 1.215 811 L HN 0.401 nan 8.230 nan 0.000 0.419 812 P HA 0.023 nan 4.420 nan 0.000 0.263 812 P C -0.297 177.056 177.300 0.087 0.000 1.247 812 P CA 0.326 63.482 63.100 0.093 0.000 0.876 812 P CB 0.729 32.479 31.700 0.083 0.000 0.928 813 V N 3.587 123.560 119.914 0.098 0.000 2.713 813 V HA 0.289 4.409 4.120 0.000 0.000 0.307 813 V C -0.044 176.107 176.094 0.095 0.000 1.052 813 V CA -0.587 61.764 62.300 0.085 0.000 0.967 813 V CB 1.872 33.739 31.823 0.074 0.000 1.019 813 V HN 0.335 nan 8.190 nan 0.000 0.459 814 D N 5.762 126.208 120.400 0.077 0.000 2.359 814 D HA 0.342 4.982 4.640 0.000 0.000 0.230 814 D C -1.817 174.524 176.300 0.068 0.000 1.118 814 D CA -1.611 52.432 54.000 0.072 0.000 0.844 814 D CB 2.273 43.101 40.800 0.047 0.000 1.059 814 D HN 0.277 nan 8.370 nan 0.000 0.493 815 P HA -0.214 nan 4.420 nan 0.000 0.213 815 P C 1.143 178.450 177.300 0.011 0.000 1.176 815 P CA 1.838 64.997 63.100 0.099 0.000 0.919 815 P CB 0.198 31.996 31.700 0.162 0.000 0.791 816 A N 0.048 122.832 122.820 -0.060 0.000 1.894 816 A HA -0.317 4.003 4.320 0.000 0.000 0.220 816 A C 2.403 179.870 177.584 -0.195 0.000 1.237 816 A CA 3.246 55.143 52.037 -0.233 0.000 0.660 816 A CB -1.846 17.039 19.000 -0.191 0.000 0.835 816 A HN 0.239 nan 8.150 nan 0.000 0.461 817 A N -0.467 122.295 122.820 -0.097 0.000 1.948 817 A HA -0.133 4.187 4.320 0.000 0.000 0.220 817 A C 2.092 179.645 177.584 -0.053 0.000 1.177 817 A CA 1.762 53.767 52.037 -0.054 0.000 0.636 817 A CB -0.784 18.215 19.000 -0.002 0.000 0.815 817 A HN 0.589 nan 8.150 nan 0.000 0.449 818 I N -0.462 120.096 120.570 -0.021 0.000 2.091 818 I HA -0.278 3.892 4.170 0.000 0.000 0.239 818 I C 2.302 178.345 176.117 -0.123 0.000 1.061 818 I CA 1.705 62.999 61.300 -0.010 0.000 1.317 818 I CB -0.667 37.381 38.000 0.080 0.000 1.031 818 I HN 0.156 nan 8.210 nan 0.000 0.401 819 V N 0.374 120.240 119.914 -0.080 0.000 2.515 819 V HA -0.203 3.917 4.120 0.000 0.000 0.250 819 V C 2.471 178.474 176.094 -0.153 0.000 1.058 819 V CA 1.416 63.671 62.300 -0.075 0.000 1.064 819 V CB -0.500 31.322 31.823 -0.003 0.000 0.675 819 V HN 0.283 nan 8.190 nan 0.000 0.461 820 V N 0.722 120.517 119.914 -0.198 0.000 2.282 820 V HA -0.328 3.792 4.120 0.000 0.000 0.249 820 V C 2.729 178.668 176.094 -0.258 0.000 1.057 820 V CA 2.351 64.535 62.300 -0.194 0.000 1.032 820 V CB -1.334 30.405 31.823 -0.139 0.000 0.645 820 V HN 0.569 nan 8.190 nan 0.000 0.447 821 A N -0.532 122.040 122.820 -0.413 0.000 1.873 821 A HA -0.249 4.071 4.320 0.000 0.000 0.215 821 A C 2.182 179.330 177.584 -0.727 0.000 1.186 821 A CA 2.312 53.880 52.037 -0.782 0.000 0.616 821 A CB -0.608 17.486 19.000 -1.509 0.000 0.823 821 A HN 0.465 nan 8.150 nan 0.000 0.442 822 M N -0.005 119.249 119.600 -0.578 0.000 2.106 822 M HA -0.127 4.353 4.480 0.000 0.000 0.259 822 M C 1.755 177.933 176.300 -0.203 0.000 1.068 822 M CA 1.673 56.777 55.300 -0.326 0.000 1.100 822 M CB -0.739 31.762 32.600 -0.164 0.000 1.351 822 M HN 0.358 nan 8.290 nan 0.000 0.404 823 L N -1.864 119.258 121.223 -0.169 0.000 2.179 823 L HA -0.068 4.272 4.340 0.000 0.000 0.208 823 L C 0.989 177.781 176.870 -0.129 0.000 1.096 823 L CA 0.226 55.003 54.840 -0.105 0.000 0.779 823 L CB -0.242 41.778 42.059 -0.065 0.000 0.922 823 L HN 0.404 nan 8.230 nan 0.000 0.443 824 C N 1.403 120.592 119.300 -0.184 0.000 2.816 824 C HA 0.685 5.145 4.460 0.000 0.000 0.255 824 C C 0.562 175.417 174.990 -0.225 0.000 1.141 824 C CA -0.837 58.082 59.018 -0.165 0.000 1.554 824 C CB -0.817 26.846 27.740 -0.128 0.000 1.778 824 C HN 0.331 nan 8.230 nan 0.000 0.429 825 G N 6.001 114.683 108.800 -0.198 0.000 2.502 825 G HA2 0.621 4.581 3.960 0.000 0.000 0.311 825 G HA3 0.621 4.581 3.960 0.000 0.000 0.311 825 G C -0.895 173.941 174.900 -0.105 0.000 1.270 825 G CA -0.046 44.935 45.100 -0.199 0.000 0.948 825 G HN 0.771 nan 8.290 nan 0.000 0.487 826 Q N 0.937 120.684 119.800 -0.088 0.000 2.423 826 Q HA 0.644 4.984 4.340 0.000 0.000 0.278 826 Q C -0.258 175.746 176.000 0.008 0.000 1.097 826 Q CA -0.838 54.950 55.803 -0.026 0.000 0.809 826 Q CB 1.286 30.007 28.738 -0.029 0.000 1.391 826 Q HN 0.521 nan 8.270 nan 0.000 0.428 827 T N -0.591 114.000 114.554 0.061 0.000 2.923 827 T HA 0.568 4.918 4.350 0.000 0.000 0.282 827 T C -0.177 174.546 174.700 0.037 0.000 1.137 827 T CA -0.339 61.809 62.100 0.079 0.000 0.958 827 T CB 0.312 69.284 68.868 0.175 0.000 1.961 827 T HN 0.468 nan 8.240 nan 0.000 0.586 828 E N 0.848 121.068 120.200 0.033 0.000 2.250 828 E HA 0.398 4.748 4.350 0.000 0.000 0.265 828 E C 1.431 178.055 176.600 0.039 0.000 1.033 828 E CA -0.054 56.355 56.400 0.014 0.000 0.888 828 E CB 1.075 30.761 29.700 -0.025 0.000 1.151 828 E HN 0.805 nan 8.360 nan 0.000 0.412 829 T N -0.687 113.885 114.554 0.031 0.000 2.595 829 T HA -0.226 4.124 4.350 0.000 0.000 0.264 829 T C 0.946 175.676 174.700 0.051 0.000 1.058 829 T CA 1.412 63.532 62.100 0.034 0.000 1.166 829 T CB -0.343 68.539 68.868 0.023 0.000 0.863 829 T HN 0.382 nan 8.240 nan 0.000 0.415 830 N N 1.001 119.741 118.700 0.068 0.000 3.322 830 N HA 0.377 5.117 4.740 0.000 0.000 0.290 830 N C -1.060 174.563 175.510 0.189 0.000 1.297 830 N CA -0.439 52.667 53.050 0.093 0.000 1.167 830 N CB -0.210 38.318 38.487 0.069 0.000 1.434 830 N HN 0.299 nan 8.380 nan 0.000 0.526 831 L N 3.072 124.409 121.223 0.189 0.000 2.290 831 L HA 0.469 4.809 4.340 0.000 0.000 0.284 831 L C -0.869 176.065 176.870 0.107 0.000 1.078 831 L CA 0.029 55.071 54.840 0.338 0.000 0.815 831 L CB 0.543 42.728 42.059 0.210 0.000 1.162 831 L HN 0.333 nan 8.230 nan 0.000 0.435 832 I N 7.459 127.920 120.570 -0.180 0.000 2.563 832 I HA 0.286 4.456 4.170 0.000 0.000 0.276 832 I C -1.773 174.030 176.117 -0.523 0.000 1.074 832 I CA -1.435 59.690 61.300 -0.293 0.000 1.124 832 I CB 1.312 39.200 38.000 -0.188 0.000 1.225 832 I HN 0.475 nan 8.210 nan 0.000 0.482 833 P HA -0.229 nan 4.420 nan 0.000 0.216 833 P C 1.675 178.854 177.300 -0.202 0.000 1.154 833 P CA 1.637 64.553 63.100 -0.307 0.000 0.865 833 P CB 0.140 31.712 31.700 -0.213 0.000 0.789 834 S N -0.777 114.884 115.700 -0.065 0.000 2.392 834 S HA -0.340 4.130 4.470 0.000 0.000 0.225 834 S C 1.979 176.604 174.600 0.042 0.000 1.041 834 S CA 1.844 60.066 58.200 0.036 0.000 1.100 834 S CB -1.994 61.225 63.200 0.032 0.000 1.029 834 S HN 0.180 nan 8.310 nan 0.000 0.424 835 H N 2.628 121.623 119.070 -0.124 0.000 2.260 835 H HA -0.239 4.317 4.556 0.000 0.000 0.288 835 H C 2.114 177.385 175.328 -0.095 0.000 1.094 835 H CA 2.698 58.664 56.048 -0.137 0.000 1.197 835 H CB -1.133 28.471 29.762 -0.262 0.000 1.346 835 H HN 0.591 nan 8.280 nan 0.000 0.486 836 H N -0.814 117.985 119.070 -0.452 0.000 2.290 836 H HA -0.151 4.405 4.556 0.000 0.000 0.298 836 H C 2.541 177.670 175.328 -0.333 0.000 1.087 836 H CA 1.793 57.530 56.048 -0.518 0.000 1.291 836 H CB -1.173 28.299 29.762 -0.483 0.000 1.369 836 H HN 0.581 nan 8.280 nan 0.000 0.492 837 Y N 0.216 120.387 120.300 -0.214 0.000 2.224 837 Y HA -0.194 4.356 4.550 0.000 0.000 0.289 837 Y C 2.849 178.624 175.900 -0.209 0.000 1.146 837 Y CA 0.210 58.074 58.100 -0.394 0.000 1.182 837 Y CB -0.410 37.871 38.460 -0.299 0.000 0.983 837 Y HN 0.264 nan 8.280 nan 0.000 0.524 838 G N 0.673 109.521 108.800 0.081 0.000 2.514 838 G HA2 -0.277 3.683 3.960 0.000 0.000 0.217 838 G HA3 -0.277 3.683 3.960 0.000 0.000 0.217 838 G C 1.695 176.641 174.900 0.077 0.000 1.198 838 G CA 1.142 46.297 45.100 0.091 0.000 0.780 838 G HN 0.174 nan 8.290 nan 0.000 0.565 839 K N 0.944 121.348 120.400 0.007 0.000 1.985 839 K HA 0.013 4.333 4.320 0.000 0.000 0.210 839 K C 2.977 179.594 176.600 0.028 0.000 1.047 839 K CA 1.287 57.580 56.287 0.009 0.000 0.932 839 K CB -1.087 31.383 32.500 -0.050 0.000 0.716 839 K HN 0.269 nan 8.250 nan 0.000 0.439 840 A N 1.246 124.043 122.820 -0.038 0.000 1.865 840 A HA -0.142 4.178 4.320 0.000 0.000 0.217 840 A C 2.238 179.915 177.584 0.154 0.000 1.191 840 A CA 1.594 53.609 52.037 -0.037 0.000 0.623 840 A CB -1.054 17.838 19.000 -0.179 0.000 0.826 840 A HN 0.321 nan 8.150 nan 0.000 0.444 841 F N 0.043 120.072 119.950 0.132 0.000 2.293 841 F HA -0.070 4.457 4.527 0.000 0.000 0.300 841 F C 2.806 178.721 175.800 0.192 0.000 1.086 841 F CA 0.147 58.238 58.000 0.150 0.000 1.375 841 F CB -0.319 38.810 39.000 0.216 0.000 1.045 841 F HN 0.304 nan 8.300 nan 0.000 0.516 842 A N 1.575 124.590 122.820 0.324 0.000 1.940 842 A HA -0.241 4.079 4.320 0.000 0.000 0.221 842 A C 0.036 177.734 177.584 0.190 0.000 1.190 842 A CA 2.159 54.339 52.037 0.239 0.000 0.647 842 A CB -2.116 16.979 19.000 0.158 0.000 0.821 842 A HN 0.265 nan 8.150 nan 0.000 0.457 843 P HA -0.079 nan 4.420 nan 0.000 0.219 843 P C 1.644 178.987 177.300 0.071 0.000 1.150 843 P CA 0.933 64.088 63.100 0.092 0.000 0.814 843 P CB -0.111 31.627 31.700 0.062 0.000 0.787 844 L N -0.142 121.112 121.223 0.051 0.000 1.989 844 L HA -0.058 4.282 4.340 0.000 0.000 0.211 844 L C 2.142 178.936 176.870 -0.127 0.000 1.071 844 L CA 1.887 56.656 54.840 -0.119 0.000 0.749 844 L CB -1.477 40.403 42.059 -0.299 0.000 0.890 844 L HN -0.218 nan 8.230 nan 0.000 0.431 845 F N -0.592 119.371 119.950 0.022 0.000 2.802 845 F HA 0.087 4.614 4.527 0.000 0.000 0.302 845 F C 2.027 177.852 175.800 0.042 0.000 1.211 845 F CA 0.377 58.391 58.000 0.024 0.000 1.431 845 F CB -0.735 38.280 39.000 0.024 0.000 1.114 845 F HN 0.170 nan 8.300 nan 0.000 0.567 846 A N -1.012 121.916 122.820 0.180 0.000 2.123 846 A HA -0.030 4.290 4.320 0.000 0.000 0.214 846 A C 1.592 179.229 177.584 0.089 0.000 1.152 846 A CA 0.298 52.404 52.037 0.115 0.000 0.728 846 A CB -0.304 18.746 19.000 0.085 0.000 0.814 846 A HN 0.149 nan 8.150 nan 0.000 0.464 847 S N 0.767 116.511 115.700 0.073 0.000 2.700 847 S HA 0.052 4.522 4.470 0.000 0.000 0.321 847 S C 0.844 175.507 174.600 0.105 0.000 1.161 847 S CA -0.249 57.983 58.200 0.054 0.000 1.078 847 S CB -0.920 62.278 63.200 -0.003 0.000 1.302 847 S HN 0.578 nan 8.310 nan 0.000 0.540 848 N N 4.063 122.851 118.700 0.148 0.000 2.588 848 N HA -0.101 4.639 4.740 0.000 0.000 0.190 848 N C 1.768 177.419 175.510 0.236 0.000 1.094 848 N CA 0.896 54.104 53.050 0.263 0.000 0.921 848 N CB -0.157 38.411 38.487 0.134 0.000 0.959 848 N HN 0.734 nan 8.380 nan 0.000 0.448 849 A N 0.780 123.654 122.820 0.088 0.000 1.978 849 A HA -0.226 4.094 4.320 0.000 0.000 0.220 849 A C 2.146 179.703 177.584 -0.046 0.000 1.170 849 A CA 1.211 53.266 52.037 0.030 0.000 0.636 849 A CB -0.638 18.363 19.000 0.002 0.000 0.810 849 A HN 0.464 nan 8.150 nan 0.000 0.448 850 M N -0.390 119.110 119.600 -0.166 0.000 2.151 850 M HA -0.236 4.244 4.480 0.000 0.000 0.256 850 M C 1.863 177.887 176.300 -0.461 0.000 1.072 850 M CA 2.181 57.247 55.300 -0.390 0.000 1.090 850 M CB -1.116 31.096 32.600 -0.647 0.000 1.294 850 M HN 0.424 nan 8.290 nan 0.000 0.415 851 F N 0.468 120.376 119.950 -0.069 0.000 2.216 851 F HA -0.155 4.372 4.527 0.000 0.000 0.300 851 F C 2.635 178.491 175.800 0.094 0.000 1.085 851 F CA 1.774 59.755 58.000 -0.032 0.000 1.326 851 F CB -1.955 36.895 39.000 -0.251 0.000 1.027 851 F HN 0.362 nan 8.300 nan 0.000 0.497 852 T N -1.594 113.054 114.554 0.157 0.000 2.962 852 T HA -0.110 4.240 4.350 0.000 0.000 0.270 852 T C 1.905 176.666 174.700 0.103 0.000 1.088 852 T CA 0.761 62.949 62.100 0.147 0.000 1.127 852 T CB -0.379 68.558 68.868 0.115 0.000 0.883 852 T HN 0.283 nan 8.240 nan 0.000 0.493 853 R N 1.451 121.983 120.500 0.053 0.000 2.073 853 R HA -0.006 4.334 4.340 0.000 0.000 0.234 853 R C 2.615 178.946 176.300 0.052 0.000 1.134 853 R CA 1.532 57.653 56.100 0.035 0.000 0.952 853 R CB -0.511 29.779 30.300 -0.017 0.000 0.850 853 R HN 0.492 nan 8.270 nan 0.000 0.433 854 N N 1.251 119.991 118.700 0.068 0.000 2.060 854 N HA -0.249 4.491 4.740 0.000 0.000 0.195 854 N C 1.822 177.389 175.510 0.095 0.000 1.028 854 N CA 1.692 54.798 53.050 0.093 0.000 0.861 854 N CB -0.216 38.382 38.487 0.186 0.000 1.029 854 N HN 0.453 nan 8.380 nan 0.000 0.428 855 Q N 0.502 120.381 119.800 0.131 0.000 2.079 855 Q HA -0.063 4.277 4.340 0.000 0.000 0.200 855 Q C 2.258 178.291 176.000 0.055 0.000 0.974 855 Q CA 0.844 56.715 55.803 0.113 0.000 0.840 855 Q CB -0.113 28.722 28.738 0.162 0.000 0.898 855 Q HN 0.334 nan 8.270 nan 0.000 0.430 856 R N 0.802 121.337 120.500 0.058 0.000 2.094 856 R HA -0.207 4.133 4.340 0.000 0.000 0.239 856 R C 2.221 178.522 176.300 0.001 0.000 1.137 856 R CA 1.559 57.678 56.100 0.032 0.000 0.943 856 R CB -0.420 29.909 30.300 0.048 0.000 0.850 856 R HN 0.257 nan 8.270 nan 0.000 0.433 857 A N 0.284 123.110 122.820 0.010 0.000 1.948 857 A HA -0.171 4.149 4.320 0.000 0.000 0.220 857 A C 2.303 179.867 177.584 -0.032 0.000 1.177 857 A CA 1.814 53.843 52.037 -0.014 0.000 0.636 857 A CB -0.846 18.151 19.000 -0.005 0.000 0.815 857 A HN 0.334 nan 8.150 nan 0.000 0.449 858 V N 0.086 119.986 119.914 -0.023 0.000 2.427 858 V HA -0.167 3.954 4.120 0.000 0.000 0.248 858 V C 2.193 178.254 176.094 -0.055 0.000 1.051 858 V CA 1.751 64.030 62.300 -0.034 0.000 1.048 858 V CB -0.414 31.395 31.823 -0.024 0.000 0.666 858 V HN 0.531 nan 8.190 nan 0.000 0.456 859 I N 0.102 120.624 120.570 -0.080 0.000 2.439 859 I HA -0.135 4.035 4.170 0.000 0.000 0.251 859 I C 2.501 178.570 176.117 -0.079 0.000 1.139 859 I CA 1.795 63.032 61.300 -0.104 0.000 1.438 859 I CB -1.834 36.047 38.000 -0.198 0.000 1.085 859 I HN 0.346 nan 8.210 nan 0.000 0.427 860 T N 1.150 115.658 114.554 -0.077 0.000 2.624 860 T HA -0.249 4.101 4.350 0.000 0.000 0.268 860 T C 2.075 176.731 174.700 -0.074 0.000 1.041 860 T CA 1.550 63.595 62.100 -0.091 0.000 1.159 860 T CB -0.328 68.485 68.868 -0.092 0.000 0.863 860 T HN 0.324 nan 8.240 nan 0.000 0.434 861 R N 0.786 121.248 120.500 -0.063 0.000 2.094 861 R HA -0.103 4.237 4.340 0.000 0.000 0.239 861 R C 2.687 179.015 176.300 0.046 0.000 1.137 861 R CA 1.414 57.496 56.100 -0.029 0.000 0.943 861 R CB -0.302 29.975 30.300 -0.039 0.000 0.850 861 R HN 0.429 nan 8.270 nan 0.000 0.433 862 E N 0.455 120.662 120.200 0.012 0.000 2.118 862 E HA -0.198 4.152 4.350 0.000 0.000 0.195 862 E C 1.983 178.566 176.600 -0.030 0.000 0.992 862 E CA 1.441 57.870 56.400 0.048 0.000 0.804 862 E CB -0.203 29.559 29.700 0.103 0.000 0.741 862 E HN 0.379 nan 8.360 nan 0.000 0.458 863 A N 0.970 123.625 122.820 -0.274 0.000 1.873 863 A HA -0.158 4.162 4.320 0.000 0.000 0.215 863 A C 2.070 179.443 177.584 -0.352 0.000 1.186 863 A CA 1.162 52.741 52.037 -0.763 0.000 0.616 863 A CB -0.851 17.678 19.000 -0.784 0.000 0.823 863 A HN 0.277 nan 8.150 nan 0.000 0.442 864 F N 1.354 121.139 119.950 -0.276 0.000 2.027 864 F HA -0.285 4.242 4.527 0.000 0.000 0.297 864 F C 2.244 177.947 175.800 -0.163 0.000 1.129 864 F CA 2.605 60.491 58.000 -0.190 0.000 1.195 864 F CB -0.705 38.202 39.000 -0.156 0.000 0.960 864 F HN 0.053 nan 8.300 nan 0.000 0.485 865 V N 0.068 119.896 119.914 -0.144 0.000 2.250 865 V HA -0.442 3.678 4.120 0.000 0.000 0.250 865 V C 2.692 178.672 176.094 -0.190 0.000 1.060 865 V CA 2.028 64.210 62.300 -0.197 0.000 1.030 865 V CB -1.664 30.135 31.823 -0.040 0.000 0.643 865 V HN 0.671 nan 8.190 nan 0.000 0.445 866 C N 0.312 119.570 119.300 -0.069 0.000 2.432 866 C HA -0.057 4.403 4.460 0.000 0.000 0.277 866 C C 3.184 178.168 174.990 -0.010 0.000 1.249 866 C CA 0.624 59.668 59.018 0.044 0.000 1.725 866 C CB -1.539 26.347 27.740 0.243 0.000 2.028 866 C HN 0.660 nan 8.230 nan 0.000 0.477 867 A N 0.689 123.444 122.820 -0.109 0.000 1.915 867 A HA -0.325 3.995 4.320 0.000 0.000 0.220 867 A C 2.239 179.761 177.584 -0.104 0.000 1.198 867 A CA 2.453 54.421 52.037 -0.114 0.000 0.647 867 A CB -0.750 18.136 19.000 -0.191 0.000 0.825 867 A HN 0.703 nan 8.150 nan 0.000 0.456 868 R N -0.928 119.449 120.500 -0.206 0.000 2.075 868 R HA -0.116 4.224 4.340 0.000 0.000 0.230 868 R C 2.557 178.855 176.300 -0.004 0.000 1.140 868 R CA 1.860 57.874 56.100 -0.143 0.000 0.928 868 R CB -0.591 29.477 30.300 -0.386 0.000 0.834 868 R HN 0.469 nan 8.270 nan 0.000 0.429 869 S N -0.345 115.331 115.700 -0.040 0.000 2.383 869 S HA -0.149 4.321 4.470 0.000 0.000 0.229 869 S C 1.894 176.532 174.600 0.063 0.000 1.030 869 S CA 1.298 59.523 58.200 0.041 0.000 1.002 869 S CB -0.259 62.998 63.200 0.095 0.000 0.829 869 S HN 0.557 nan 8.310 nan 0.000 0.467 870 A N 0.307 123.158 122.820 0.050 0.000 1.873 870 A HA -0.001 4.319 4.320 0.000 0.000 0.215 870 A C 2.330 179.926 177.584 0.019 0.000 1.186 870 A CA 1.617 53.677 52.037 0.038 0.000 0.616 870 A CB -1.118 17.912 19.000 0.049 0.000 0.823 870 A HN 0.450 nan 8.150 nan 0.000 0.442 871 V N -0.228 119.700 119.914 0.022 0.000 2.626 871 V HA -0.087 4.033 4.120 0.000 0.000 0.252 871 V C 2.600 178.697 176.094 0.005 0.000 1.067 871 V CA 1.770 64.079 62.300 0.016 0.000 1.081 871 V CB -0.453 31.384 31.823 0.025 0.000 0.686 871 V HN 0.574 nan 8.190 nan 0.000 0.468 872 A N -1.735 121.100 122.820 0.025 0.000 2.206 872 A HA -0.073 4.247 4.320 0.000 0.000 0.211 872 A C 2.017 179.595 177.584 -0.010 0.000 1.158 872 A CA 0.756 52.797 52.037 0.007 0.000 0.761 872 A CB -0.260 18.780 19.000 0.067 0.000 0.801 872 A HN 0.544 nan 8.150 nan 0.000 0.473 873 Q N -1.488 118.305 119.800 -0.012 0.000 2.425 873 Q HA 0.016 4.356 4.340 0.000 0.000 0.204 873 Q C 1.138 177.098 176.000 -0.067 0.000 0.933 873 Q CA 0.608 56.389 55.803 -0.036 0.000 0.939 873 Q CB 0.054 28.771 28.738 -0.035 0.000 1.044 873 Q HN 0.745 nan 8.270 nan 0.000 0.513 874 C N -0.401 118.855 119.300 -0.072 0.000 2.800 874 C HA 0.258 4.718 4.460 0.000 0.000 0.379 874 C C 0.652 175.579 174.990 -0.104 0.000 1.304 874 C CA -0.283 58.666 59.018 -0.116 0.000 1.960 874 C CB 0.620 28.284 27.740 -0.126 0.000 2.599 874 C HN 0.247 nan 8.230 nan 0.000 0.578 875 Q N 1.542 121.300 119.800 -0.070 0.000 2.316 875 Q HA 0.272 4.612 4.340 0.000 0.000 0.264 875 Q C -1.550 174.403 176.000 -0.078 0.000 0.987 875 Q CA -0.016 55.749 55.803 -0.063 0.000 0.852 875 Q CB 1.524 30.234 28.738 -0.046 0.000 1.287 875 Q HN 0.385 nan 8.270 nan 0.000 0.448 876 D N 1.702 122.053 120.400 -0.083 0.000 2.402 876 D HA 0.229 4.869 4.640 0.000 0.000 0.268 876 D C -0.521 175.676 176.300 -0.172 0.000 1.294 876 D CA 0.601 54.538 54.000 -0.104 0.000 0.945 876 D CB 0.498 41.248 40.800 -0.083 0.000 1.112 876 D HN 0.481 nan 8.370 nan 0.000 0.517 877 A N 1.735 124.407 122.820 -0.246 0.000 2.350 877 A HA 0.668 4.988 4.320 0.000 0.000 0.318 877 A C 1.384 178.626 177.584 -0.570 0.000 1.132 877 A CA -0.615 51.112 52.037 -0.518 0.000 0.811 877 A CB 1.379 19.989 19.000 -0.649 0.000 1.313 877 A HN 0.510 nan 8.150 nan 0.000 0.454 878 G N -0.400 107.847 108.800 -0.921 0.000 3.028 878 G HA2 0.279 4.239 3.960 0.000 0.000 0.205 878 G HA3 0.279 4.239 3.960 0.000 0.000 0.205 878 G C -0.182 174.654 174.900 -0.107 0.000 1.182 878 G CA 0.360 45.150 45.100 -0.517 0.000 0.860 878 G HN 0.419 nan 8.290 nan 0.000 0.507 879 F N -0.411 119.525 119.950 -0.023 0.000 2.539 879 F HA 0.312 4.839 4.527 0.000 0.000 0.328 879 F C -0.210 175.578 175.800 -0.020 0.000 1.148 879 F CA -1.410 56.573 58.000 -0.029 0.000 0.940 879 F CB 1.959 40.930 39.000 -0.049 0.000 1.194 879 F HN -0.187 nan 8.300 nan 0.000 0.438 880 L N 6.510 127.830 121.223 0.160 0.000 2.477 880 L HA 0.456 4.796 4.340 0.000 0.000 0.272 880 L C -0.380 176.556 176.870 0.109 0.000 1.157 880 L CA 0.015 54.915 54.840 0.100 0.000 0.889 880 L CB 0.390 42.489 42.059 0.068 0.000 1.158 880 L HN 0.397 nan 8.230 nan 0.000 0.473 881 V N 3.244 123.215 119.914 0.095 0.000 3.001 881 V HA 0.782 4.902 4.120 0.000 0.000 0.314 881 V C -2.476 173.663 176.094 0.074 0.000 1.099 881 V CA -2.023 60.336 62.300 0.099 0.000 0.989 881 V CB 1.193 33.077 31.823 0.102 0.000 1.040 881 V HN 0.738 nan 8.190 nan 0.000 0.434 882 P HA 0.504 nan 4.420 nan 0.000 0.275 882 P C -0.915 176.406 177.300 0.036 0.000 1.227 882 P CA -0.196 62.936 63.100 0.053 0.000 0.781 882 P CB 0.395 32.126 31.700 0.051 0.000 0.906 883 R N 3.859 124.370 120.500 0.020 0.000 2.422 883 R HA 0.254 4.594 4.340 0.000 0.000 0.307 883 R C -1.747 174.554 176.300 0.001 0.000 1.004 883 R CA -1.268 54.835 56.100 0.004 0.000 0.882 883 R CB 1.841 32.140 30.300 -0.002 0.000 1.164 883 R HN 0.453 nan 8.270 nan 0.000 0.489 884 P HA 0.050 nan 4.420 nan 0.000 0.215 884 P C 0.595 177.892 177.300 -0.006 0.000 1.134 884 P CA 0.490 63.587 63.100 -0.004 0.000 0.894 884 P CB 0.585 32.281 31.700 -0.007 0.000 0.805 885 L N 0.738 121.940 121.223 -0.035 0.000 2.777 885 L HA 0.111 4.451 4.340 0.000 0.000 0.244 885 L C 0.795 177.656 176.870 -0.014 0.000 1.235 885 L CA 0.172 54.993 54.840 -0.032 0.000 1.062 885 L CB -1.056 40.937 42.059 -0.109 0.000 1.340 885 L HN -0.150 nan 8.230 nan 0.000 0.439 886 D N 1.021 121.418 120.400 -0.005 0.000 2.264 886 D HA -0.152 4.488 4.640 0.000 0.000 0.208 886 D C 2.233 178.525 176.300 -0.013 0.000 0.966 886 D CA 1.079 55.071 54.000 -0.014 0.000 0.864 886 D CB 0.203 40.996 40.800 -0.011 0.000 0.933 886 D HN 0.432 nan 8.370 nan 0.000 0.499 887 A N 0.184 123.014 122.820 0.018 0.000 2.119 887 A HA 0.024 4.344 4.320 0.000 0.000 0.217 887 A C 1.086 178.606 177.584 -0.107 0.000 1.153 887 A CA 0.094 52.119 52.037 -0.021 0.000 0.692 887 A CB -0.261 18.784 19.000 0.076 0.000 0.799 887 A HN 0.215 nan 8.150 nan 0.000 0.458 888 L N 1.319 122.544 121.223 0.003 0.000 2.462 888 L HA 0.146 4.486 4.340 0.000 0.000 0.283 888 L C 0.911 177.761 176.870 -0.034 0.000 1.166 888 L CA -0.236 54.611 54.840 0.011 0.000 0.964 888 L CB -0.380 41.724 42.059 0.074 0.000 1.294 888 L HN 0.354 nan 8.230 nan 0.000 0.449 889 R N 3.632 124.104 120.500 -0.047 0.000 2.549 889 R HA -0.045 4.295 4.340 0.000 0.000 0.336 889 R C -0.472 175.815 176.300 -0.021 0.000 0.891 889 R CA 0.246 56.325 56.100 -0.034 0.000 1.102 889 R CB 0.184 30.469 30.300 -0.026 0.000 0.899 889 R HN 0.686 nan 8.270 nan 0.000 0.407 890 Q N 4.800 124.559 119.800 -0.069 0.000 2.377 890 Q HA 0.249 4.589 4.340 0.000 0.000 0.271 890 Q C -0.852 175.053 176.000 -0.158 0.000 1.077 890 Q CA -0.863 54.847 55.803 -0.155 0.000 0.820 890 Q CB 0.914 29.485 28.738 -0.278 0.000 1.347 890 Q HN 0.437 nan 8.270 nan 0.000 0.444 891 F N 0.036 119.985 119.950 -0.002 0.000 2.633 891 F HA 0.126 4.653 4.527 0.000 0.000 0.338 891 F C 0.371 176.170 175.800 -0.000 0.000 1.206 891 F CA -0.473 57.525 58.000 -0.004 0.000 1.378 891 F CB 0.215 39.213 39.000 -0.004 0.000 1.116 891 F HN 0.627 nan 8.300 nan 0.000 0.615 892 D N 1.835 122.370 120.400 0.225 0.000 2.482 892 D HA 0.152 4.792 4.640 0.000 0.000 0.244 892 D C -0.481 175.966 176.300 0.246 0.000 1.242 892 D CA -0.093 53.995 54.000 0.146 0.000 1.097 892 D CB -0.212 40.652 40.800 0.106 0.000 1.109 892 D HN 0.549 nan 8.370 nan 0.000 0.510 893 V N 3.831 123.800 119.914 0.091 0.000 2.506 893 V HA -0.005 4.115 4.120 0.000 0.000 0.296 893 V C 1.358 177.550 176.094 0.163 0.000 1.004 893 V CA 0.167 62.574 62.300 0.178 0.000 1.150 893 V CB -0.381 31.414 31.823 -0.048 0.000 0.911 893 V HN 0.609 nan 8.190 nan 0.000 0.476 894 T N 1.732 116.411 114.554 0.207 0.000 2.816 894 T HA 0.219 4.569 4.350 0.000 0.000 0.282 894 T C 1.550 176.308 174.700 0.098 0.000 0.993 894 T CA -0.045 62.125 62.100 0.116 0.000 0.994 894 T CB 1.224 70.145 68.868 0.089 0.000 1.025 894 T HN 0.835 nan 8.240 nan 0.000 0.529 895 S N 1.387 117.126 115.700 0.064 0.000 2.381 895 S HA -0.254 4.216 4.470 0.000 0.000 0.230 895 S C 2.404 177.041 174.600 0.062 0.000 1.052 895 S CA 1.255 59.489 58.200 0.055 0.000 1.068 895 S CB -1.502 61.723 63.200 0.042 0.000 0.918 895 S HN 1.132 nan 8.310 nan 0.000 0.448 896 A N 2.327 125.182 122.820 0.058 0.000 1.883 896 A HA 0.230 4.550 4.320 0.000 0.000 0.217 896 A C 2.585 180.213 177.584 0.074 0.000 1.186 896 A CA 2.101 54.169 52.037 0.051 0.000 0.624 896 A CB -1.515 17.504 19.000 0.032 0.000 0.822 896 A HN 0.930 nan 8.150 nan 0.000 0.444 897 A N -0.304 122.581 122.820 0.108 0.000 1.898 897 A HA 0.224 4.544 4.320 0.000 0.000 0.216 897 A C 2.506 180.184 177.584 0.157 0.000 1.181 897 A CA 1.924 54.060 52.037 0.165 0.000 0.620 897 A CB -1.017 18.163 19.000 0.301 0.000 0.819 897 A HN 1.073 nan 8.150 nan 0.000 0.442 898 A N 0.020 122.916 122.820 0.126 0.000 1.940 898 A HA 0.113 4.433 4.320 0.000 0.000 0.219 898 A C 2.473 180.111 177.584 0.090 0.000 1.176 898 A CA 2.124 54.216 52.037 0.092 0.000 0.631 898 A CB -0.984 18.056 19.000 0.067 0.000 0.814 898 A HN 1.083 nan 8.150 nan 0.000 0.446 899 A N -0.322 122.551 122.820 0.089 0.000 1.972 899 A HA -0.161 4.159 4.320 0.000 0.000 0.219 899 A C 1.869 179.524 177.584 0.118 0.000 1.169 899 A CA 1.809 53.902 52.037 0.094 0.000 0.635 899 A CB -0.462 18.580 19.000 0.070 0.000 0.810 899 A HN 0.626 nan 8.150 nan 0.000 0.446 900 E N -0.177 120.089 120.200 0.109 0.000 2.051 900 E HA -0.140 4.210 4.350 0.000 0.000 0.192 900 E C 1.817 178.495 176.600 0.130 0.000 0.991 900 E CA 1.422 57.893 56.400 0.119 0.000 0.799 900 E CB -0.296 29.466 29.700 0.104 0.000 0.748 900 E HN 0.693 nan 8.360 nan 0.000 0.449 901 I N 0.676 121.317 120.570 0.119 0.000 2.226 901 I HA -0.277 3.893 4.170 0.000 0.000 0.245 901 I C 2.507 178.675 176.117 0.086 0.000 1.100 901 I CA 0.705 62.066 61.300 0.101 0.000 1.374 901 I CB -0.236 37.819 38.000 0.093 0.000 1.057 901 I HN 0.272 nan 8.210 nan 0.000 0.413 902 M N 0.394 120.047 119.600 0.088 0.000 2.065 902 M HA -0.281 4.199 4.480 0.000 0.000 0.259 902 M C 2.448 178.774 176.300 0.043 0.000 1.069 902 M CA 2.046 57.386 55.300 0.068 0.000 1.110 902 M CB -1.181 31.465 32.600 0.077 0.000 1.328 902 M HN 0.313 nan 8.290 nan 0.000 0.405 903 H N -0.107 118.992 119.070 0.050 0.000 2.319 903 H HA -0.134 4.422 4.556 0.000 0.000 0.297 903 H C 1.864 177.231 175.328 0.065 0.000 1.097 903 H CA 2.243 58.322 56.048 0.051 0.000 1.285 903 H CB -0.095 29.692 29.762 0.043 0.000 1.368 903 H HN 0.534 nan 8.280 nan 0.000 0.495 904 A N 0.310 123.166 122.820 0.059 0.000 1.940 904 A HA -0.122 4.198 4.320 0.000 0.000 0.219 904 A C 2.833 180.445 177.584 0.047 0.000 1.176 904 A CA 1.538 53.604 52.037 0.048 0.000 0.631 904 A CB -0.798 18.247 19.000 0.075 0.000 0.814 904 A HN 0.257 nan 8.150 nan 0.000 0.446 905 V N 0.699 120.648 119.914 0.058 0.000 2.343 905 V HA -0.258 3.862 4.120 0.000 0.000 0.247 905 V C 2.438 178.631 176.094 0.164 0.000 1.051 905 V CA 2.324 64.694 62.300 0.116 0.000 1.036 905 V CB -1.029 30.857 31.823 0.105 0.000 0.654 905 V HN 0.759 nan 8.190 nan 0.000 0.451 906 N N 0.412 119.114 118.700 0.003 0.000 2.142 906 N HA -0.171 4.569 4.740 0.000 0.000 0.186 906 N C 1.550 177.053 175.510 -0.012 0.000 1.023 906 N CA 1.707 54.712 53.050 -0.075 0.000 0.852 906 N CB -0.220 38.102 38.487 -0.275 0.000 0.998 906 N HN 0.453 nan 8.380 nan 0.000 0.424 907 D N 0.035 120.400 120.400 -0.059 0.000 2.144 907 D HA -0.086 4.554 4.640 0.000 0.000 0.200 907 D C 1.790 178.137 176.300 0.077 0.000 0.978 907 D CA 1.059 55.063 54.000 0.007 0.000 0.833 907 D CB -0.389 40.413 40.800 0.003 0.000 0.961 907 D HN 0.414 nan 8.370 nan 0.000 0.470 908 A N 0.884 123.763 122.820 0.098 0.000 1.903 908 A HA -0.233 4.087 4.320 0.000 0.000 0.219 908 A C 2.117 179.768 177.584 0.113 0.000 1.191 908 A CA 1.311 53.405 52.037 0.095 0.000 0.638 908 A CB -1.150 17.899 19.000 0.081 0.000 0.823 908 A HN 0.143 nan 8.150 nan 0.000 0.451 909 F N -0.000 119.986 119.950 0.060 0.000 2.046 909 F HA -0.186 4.341 4.527 0.000 0.000 0.297 909 F C 2.435 178.320 175.800 0.142 0.000 1.123 909 F CA 2.229 60.302 58.000 0.121 0.000 1.199 909 F CB -0.239 38.807 39.000 0.076 0.000 0.972 909 F HN 0.126 nan 8.300 nan 0.000 0.474 910 K N -0.293 120.278 120.400 0.284 0.000 2.059 910 K HA -0.243 4.077 4.320 0.000 0.000 0.212 910 K C 2.087 178.766 176.600 0.131 0.000 1.050 910 K CA 2.342 58.738 56.287 0.181 0.000 0.927 910 K CB -0.849 31.718 32.500 0.111 0.000 0.714 910 K HN 0.440 nan 8.250 nan 0.000 0.447 911 T N -0.352 114.256 114.554 0.090 0.000 2.635 911 T HA -0.216 4.134 4.350 0.000 0.000 0.267 911 T C 2.132 176.830 174.700 -0.003 0.000 1.040 911 T CA 1.456 63.578 62.100 0.037 0.000 1.156 911 T CB -0.581 68.298 68.868 0.018 0.000 0.863 911 T HN 0.235 nan 8.240 nan 0.000 0.430 912 A N 1.186 124.000 122.820 -0.011 0.000 1.883 912 A HA 0.138 4.458 4.320 0.000 0.000 0.217 912 A C 1.876 179.253 177.584 -0.346 0.000 1.186 912 A CA 1.326 53.269 52.037 -0.156 0.000 0.624 912 A CB -1.054 17.837 19.000 -0.181 0.000 0.822 912 A HN 0.567 nan 8.150 nan 0.000 0.444 913 F N -0.236 119.713 119.950 -0.001 0.000 2.731 913 F HA 0.189 4.716 4.527 0.000 0.000 0.304 913 F C 0.521 176.338 175.800 0.028 0.000 1.133 913 F CA 0.107 58.122 58.000 0.025 0.000 1.380 913 F CB -0.384 38.654 39.000 0.064 0.000 1.079 913 F HN 0.338 nan 8.300 nan 0.000 0.550 914 D N 1.532 121.973 120.400 0.069 0.000 2.812 914 D HA -0.242 4.398 4.640 0.000 0.000 0.237 914 D C -0.933 175.416 176.300 0.080 0.000 1.162 914 D CA 0.456 54.486 54.000 0.051 0.000 0.740 914 D CB -0.990 39.814 40.800 0.006 0.000 1.000 914 D HN 0.245 nan 8.370 nan 0.000 0.416 915 L N 1.718 122.999 121.223 0.097 0.000 2.406 915 L HA 0.423 4.763 4.340 0.000 0.000 0.270 915 L C 0.820 177.734 176.870 0.073 0.000 0.982 915 L CA -0.542 54.355 54.840 0.095 0.000 0.843 915 L CB 1.646 43.783 42.059 0.130 0.000 1.225 915 L HN 0.055 nan 8.230 nan 0.000 0.412 916 D N 2.272 122.707 120.400 0.058 0.000 2.123 916 D HA 0.048 4.688 4.640 0.000 0.000 0.200 916 D C 1.066 177.394 176.300 0.046 0.000 0.976 916 D CA 1.230 55.259 54.000 0.048 0.000 0.831 916 D CB 0.250 41.074 40.800 0.040 0.000 0.974 916 D HN 0.661 nan 8.370 nan 0.000 0.469 917 G N -0.504 108.322 108.800 0.045 0.000 2.614 917 G HA2 0.350 4.310 3.960 0.000 0.000 0.239 917 G HA3 0.350 4.310 3.960 0.000 0.000 0.239 917 G C -0.296 174.619 174.900 0.026 0.000 1.240 917 G CA -0.067 45.054 45.100 0.036 0.000 0.842 917 G HN 0.328 nan 8.290 nan 0.000 0.584 918 A N 0.388 123.216 122.820 0.012 0.000 2.484 918 A HA 0.443 4.763 4.320 0.000 0.000 0.268 918 A C -0.154 177.411 177.584 -0.032 0.000 1.114 918 A CA -0.049 51.989 52.037 0.003 0.000 0.780 918 A CB 0.105 19.108 19.000 0.005 0.000 1.061 918 A HN 0.727 nan 8.150 nan 0.000 0.505 919 L N 3.783 124.996 121.223 -0.017 0.000 2.319 919 L HA 0.514 4.854 4.340 0.000 0.000 0.281 919 L C 0.649 177.498 176.870 -0.036 0.000 1.005 919 L CA -0.163 54.652 54.840 -0.042 0.000 0.828 919 L CB 0.689 42.732 42.059 -0.027 0.000 1.227 919 L HN 0.915 nan 8.230 nan 0.000 0.415 920 L N 1.618 122.819 121.223 -0.038 0.000 3.737 920 L HA -0.415 3.925 4.340 0.000 0.000 0.370 920 L C 1.639 178.547 176.870 0.064 0.000 0.709 920 L CA 1.411 56.252 54.840 0.002 0.000 2.983 920 L CB -1.110 40.932 42.059 -0.028 0.000 0.704 920 L HN 0.775 nan 8.230 nan 0.000 0.728 921 D N 0.314 120.776 120.400 0.103 0.000 2.558 921 D HA -0.261 4.379 4.640 0.000 0.000 0.190 921 D C 1.748 178.143 176.300 0.158 0.000 1.047 921 D CA 2.597 56.715 54.000 0.197 0.000 0.880 921 D CB -0.409 40.506 40.800 0.192 0.000 0.926 921 D HN 0.597 nan 8.370 nan 0.000 0.465 922 G N 1.044 109.916 108.800 0.120 0.000 2.783 922 G HA2 -0.332 3.628 3.960 0.000 0.000 0.225 922 G HA3 -0.332 3.628 3.960 0.000 0.000 0.225 922 G C 2.015 177.083 174.900 0.279 0.000 1.191 922 G CA 1.610 46.806 45.100 0.160 0.000 0.774 922 G HN 0.463 nan 8.290 nan 0.000 0.632 923 L N 0.624 121.968 121.223 0.201 0.000 2.131 923 L HA -0.057 4.283 4.340 0.000 0.000 0.210 923 L C 3.423 180.448 176.870 0.259 0.000 1.092 923 L CA 0.972 55.946 54.840 0.223 0.000 0.759 923 L CB -0.426 41.715 42.059 0.136 0.000 0.903 923 L HN 0.374 nan 8.230 nan 0.000 0.435 924 A N 0.215 123.152 122.820 0.193 0.000 1.969 924 A HA -0.125 4.195 4.320 0.000 0.000 0.218 924 A C 2.187 179.793 177.584 0.038 0.000 1.169 924 A CA 1.064 53.179 52.037 0.129 0.000 0.635 924 A CB -0.616 18.457 19.000 0.123 0.000 0.810 924 A HN 0.393 nan 8.150 nan 0.000 0.445 925 L N -2.005 119.216 121.223 -0.004 0.000 2.261 925 L HA -0.190 4.150 4.340 0.000 0.000 0.216 925 L C 1.122 177.718 176.870 -0.457 0.000 1.114 925 L CA 0.850 55.554 54.840 -0.227 0.000 0.777 925 L CB -0.620 41.249 42.059 -0.316 0.000 0.910 925 L HN 0.459 nan 8.230 nan 0.000 0.440 926 Y N 0.154 120.458 120.300 0.006 0.000 2.676 926 Y HA 0.257 4.807 4.550 0.000 0.000 0.331 926 Y C 1.731 177.630 175.900 -0.002 0.000 1.128 926 Y CA 0.290 58.390 58.100 -0.000 0.000 1.360 926 Y CB -0.313 38.148 38.460 0.001 0.000 1.176 926 Y HN 0.220 nan 8.280 nan 0.000 0.518 927 G N 0.553 109.341 108.800 -0.019 0.000 2.855 927 G HA2 -0.405 3.555 3.960 0.000 0.000 0.231 927 G HA3 -0.405 3.555 3.960 0.000 0.000 0.231 927 G C 0.089 175.009 174.900 0.033 0.000 1.242 927 G CA 0.806 45.905 45.100 -0.002 0.000 0.789 927 G HN 0.460 nan 8.290 nan 0.000 0.517 928 D N 0.557 120.998 120.400 0.069 0.000 2.421 928 D HA 0.584 5.224 4.640 0.000 0.000 0.254 928 D C -0.814 175.543 176.300 0.096 0.000 1.238 928 D CA -1.401 52.643 54.000 0.073 0.000 0.919 928 D CB 1.641 42.477 40.800 0.060 0.000 1.152 928 D HN 0.123 nan 8.370 nan 0.000 0.552 929 P HA 0.001 nan 4.420 nan 0.000 0.240 929 P C 1.112 178.466 177.300 0.090 0.000 1.190 929 P CA 0.089 63.253 63.100 0.105 0.000 0.781 929 P CB 0.152 31.920 31.700 0.114 0.000 0.931 930 R N 0.949 121.495 120.500 0.077 0.000 2.211 930 R HA -0.049 4.291 4.340 0.000 0.000 0.240 930 R C 0.235 176.583 176.300 0.079 0.000 1.144 930 R CA 1.073 57.211 56.100 0.064 0.000 0.992 930 R CB -1.101 29.225 30.300 0.044 0.000 0.869 930 R HN 0.182 nan 8.270 nan 0.000 0.462 931 I N 1.387 122.019 120.570 0.104 0.000 2.503 931 I HA 0.302 4.472 4.170 0.000 0.000 0.277 931 I C -0.460 175.773 176.117 0.194 0.000 1.078 931 I CA -0.620 60.773 61.300 0.155 0.000 1.184 931 I CB 1.873 39.936 38.000 0.106 0.000 1.353 931 I HN 0.093 nan 8.210 nan 0.000 0.490 932 A N 3.225 126.163 122.820 0.196 0.000 2.650 932 A HA 0.409 4.729 4.320 0.000 0.000 0.320 932 A C -0.350 177.366 177.584 0.221 0.000 1.466 932 A CA -0.199 51.941 52.037 0.171 0.000 1.099 932 A CB -0.206 18.847 19.000 0.089 0.000 1.136 932 A HN 0.560 nan 8.150 nan 0.000 0.532 933 D N 2.706 123.258 120.400 0.252 0.000 2.460 933 D HA 0.433 5.073 4.640 0.000 0.000 0.232 933 D C -1.002 175.444 176.300 0.243 0.000 1.079 933 D CA -0.126 54.029 54.000 0.257 0.000 0.864 933 D CB 0.754 41.706 40.800 0.254 0.000 1.048 933 D HN 0.324 nan 8.370 nan 0.000 0.523 934 L N 2.912 124.282 121.223 0.244 0.000 2.295 934 L HA 0.644 4.984 4.340 0.000 0.000 0.285 934 L C -0.752 176.131 176.870 0.022 0.000 1.035 934 L CA -0.118 54.793 54.840 0.118 0.000 0.806 934 L CB 1.807 43.893 42.059 0.046 0.000 1.214 934 L HN 0.261 nan 8.230 nan 0.000 0.426 935 S N 3.259 118.862 115.700 -0.161 0.000 2.557 935 S HA 0.816 5.286 4.470 0.000 0.000 0.291 935 S C -0.696 173.781 174.600 -0.205 0.000 1.116 935 S CA -0.434 57.508 58.200 -0.430 0.000 0.992 935 S CB 1.431 64.258 63.200 -0.623 0.000 1.028 935 S HN 0.864 nan 8.310 nan 0.000 0.484 936 A N 3.423 126.130 122.820 -0.188 0.000 2.621 936 A HA 0.762 5.082 4.320 0.000 0.000 0.329 936 A C 0.175 177.850 177.584 0.152 0.000 1.458 936 A CA -0.331 51.681 52.037 -0.041 0.000 1.052 936 A CB -0.423 18.503 19.000 -0.123 0.000 1.142 936 A HN 1.008 nan 8.150 nan 0.000 0.523 937 A N 1.848 124.839 122.820 0.284 0.000 2.386 937 A HA 0.916 5.236 4.320 0.000 0.000 0.308 937 A C -0.820 177.046 177.584 0.470 0.000 1.128 937 A CA -0.610 51.656 52.037 0.381 0.000 0.789 937 A CB 1.075 20.157 19.000 0.137 0.000 1.325 937 A HN 1.701 nan 8.150 nan 0.000 0.437 938 Y N -0.769 119.628 120.300 0.161 0.000 2.597 938 Y HA 0.782 5.332 4.550 0.000 0.000 0.340 938 Y C -1.979 173.903 175.900 -0.030 0.000 1.097 938 Y CA -1.194 56.866 58.100 -0.066 0.000 1.037 938 Y CB 1.342 39.489 38.460 -0.521 0.000 1.305 938 Y HN 0.674 nan 8.280 nan 0.000 0.463 939 L N 3.933 124.761 121.223 -0.659 0.000 2.385 939 L HA 0.452 4.792 4.340 0.000 0.000 0.273 939 L C -1.066 175.477 176.870 -0.544 0.000 0.990 939 L CA -0.751 53.666 54.840 -0.705 0.000 0.821 939 L CB 2.023 43.922 42.059 -0.266 0.000 1.279 939 L HN 0.761 nan 8.230 nan 0.000 0.412 940 Q N 1.980 121.450 119.800 -0.549 0.000 2.309 940 Q HA 0.097 4.437 4.340 0.000 0.000 0.264 940 Q C 0.193 176.086 176.000 -0.179 0.000 1.008 940 Q CA -0.474 55.239 55.803 -0.149 0.000 0.853 940 Q CB 1.866 30.579 28.738 -0.042 0.000 1.314 940 Q HN 0.690 nan 8.270 nan 0.000 0.448 941 Y N 2.652 122.907 120.300 -0.076 0.000 2.102 941 Y HA -0.109 4.441 4.550 0.000 0.000 0.280 941 Y C 1.120 176.979 175.900 -0.069 0.000 1.178 941 Y CA 1.941 60.007 58.100 -0.057 0.000 1.146 941 Y CB -0.615 37.802 38.460 -0.072 0.000 0.968 941 Y HN 0.620 nan 8.280 nan 0.000 0.504 942 G N 0.267 108.210 108.800 -1.429 0.000 3.090 942 G HA2 0.312 4.272 3.960 0.000 0.000 0.259 942 G HA3 0.312 4.272 3.960 0.000 0.000 0.259 942 G C 1.109 175.754 174.900 -0.425 0.000 0.797 942 G CA 0.003 44.545 45.100 -0.931 0.000 2.032 942 G HN 1.183 nan 8.290 nan 0.000 0.614 943 G N 0.732 109.331 108.800 -0.335 0.000 2.439 943 G HA2 -0.341 3.619 3.960 0.000 0.000 0.305 943 G HA3 -0.341 3.619 3.960 0.000 0.000 0.305 943 G C 0.515 175.302 174.900 -0.188 0.000 0.966 943 G CA 0.401 45.372 45.100 -0.215 0.000 0.890 943 G HN 0.689 nan 8.290 nan 0.000 0.513 944 N N 0.061 118.623 118.700 -0.231 0.000 2.699 944 N HA 0.330 5.070 4.740 0.000 0.000 0.232 944 N C -0.176 175.116 175.510 -0.363 0.000 1.027 944 N CA -0.331 52.607 53.050 -0.187 0.000 0.920 944 N CB 0.938 39.382 38.487 -0.072 0.000 1.148 944 N HN -0.020 nan 8.380 nan 0.000 0.509 945 V N 3.426 123.207 119.914 -0.221 0.000 2.406 945 V HA 0.200 4.321 4.120 0.000 0.000 0.272 945 V C 0.428 176.570 176.094 0.080 0.000 1.043 945 V CA -0.571 61.624 62.300 -0.176 0.000 0.915 945 V CB 1.518 33.270 31.823 -0.118 0.000 0.988 945 V HN 0.250 nan 8.190 nan 0.000 0.466 946 V N 7.435 127.549 119.914 0.333 0.000 2.247 946 V HA 0.306 4.426 4.120 0.000 0.000 0.262 946 V C 0.540 176.861 176.094 0.378 0.000 1.096 946 V CA -0.596 61.961 62.300 0.427 0.000 0.895 946 V CB 0.527 32.705 31.823 0.590 0.000 1.141 946 V HN 0.939 nan 8.190 nan 0.000 0.478 947 R N 2.844 123.448 120.500 0.173 0.000 2.198 947 R HA 0.583 4.923 4.340 0.000 0.000 0.339 947 R C -0.619 175.680 176.300 -0.002 0.000 1.020 947 R CA -0.453 55.684 56.100 0.062 0.000 0.864 947 R CB 1.190 31.494 30.300 0.008 0.000 1.105 947 R HN 0.522 nan 8.270 nan 0.000 0.463 948 E N 3.787 123.933 120.200 -0.089 0.000 2.092 948 E HA 0.193 4.543 4.350 0.000 0.000 0.271 948 E C -0.795 175.716 176.600 -0.150 0.000 0.919 948 E CA -0.695 55.646 56.400 -0.100 0.000 0.760 948 E CB 1.147 30.742 29.700 -0.175 0.000 1.106 948 E HN 0.529 nan 8.360 nan 0.000 0.408 949 H N 1.570 120.620 119.070 -0.034 0.000 2.467 949 H HA 0.231 4.787 4.556 0.000 0.000 0.326 949 H C -0.222 175.076 175.328 -0.049 0.000 1.094 949 H CA -0.673 55.355 56.048 -0.034 0.000 1.253 949 H CB 1.704 31.460 29.762 -0.009 0.000 1.439 949 H HN 0.272 nan 8.280 nan 0.000 0.479 950 V N 2.245 122.199 119.914 0.067 0.000 2.277 950 V HA 0.308 4.428 4.120 0.000 0.000 0.269 950 V C -2.297 173.790 176.094 -0.010 0.000 1.036 950 V CA -1.934 60.356 62.300 -0.016 0.000 0.821 950 V CB 0.443 32.208 31.823 -0.096 0.000 1.052 950 V HN 0.532 nan 8.190 nan 0.000 0.462 951 P HA 0.450 nan 4.420 nan 0.000 0.271 951 P C -2.774 174.523 177.300 -0.005 0.000 1.216 951 P CA -1.146 61.953 63.100 -0.001 0.000 0.771 951 P CB 0.307 32.005 31.700 -0.003 0.000 0.864 952 P HA 0.273 nan 4.420 nan 0.000 0.287 952 P C 0.549 177.861 177.300 0.020 0.000 1.294 952 P CA 0.033 63.147 63.100 0.022 0.000 0.776 952 P CB 0.851 32.593 31.700 0.070 0.000 0.889 953 G N 4.807 113.621 108.800 0.023 0.000 2.634 953 G HA2 0.314 4.274 3.960 0.000 0.000 0.255 953 G HA3 0.314 4.274 3.960 0.000 0.000 0.255 953 G C -2.067 172.872 174.900 0.065 0.000 1.205 953 G CA -0.857 44.265 45.100 0.036 0.000 0.884 953 G HN 0.392 nan 8.290 nan 0.000 0.549 954 P HA 0.052 nan 4.420 nan 0.000 0.268 954 P C -0.417 177.013 177.300 0.216 0.000 1.189 954 P CA 0.209 63.393 63.100 0.141 0.000 0.771 954 P CB 0.931 32.713 31.700 0.137 0.000 0.822 955 S N 0.390 116.266 115.700 0.294 0.000 2.571 955 S HA 0.175 4.645 4.470 0.000 0.000 0.238 955 S C 0.876 175.697 174.600 0.368 0.000 1.153 955 S CA -0.568 57.834 58.200 0.337 0.000 1.141 955 S CB -0.374 63.016 63.200 0.316 0.000 1.133 955 S HN 0.435 nan 8.310 nan 0.000 0.464 956 H N 3.082 122.231 119.070 0.133 0.000 2.390 956 H HA -0.115 4.441 4.556 0.000 0.000 0.298 956 H C 1.409 176.811 175.328 0.124 0.000 1.106 956 H CA 2.102 58.220 56.048 0.117 0.000 1.297 956 H CB 0.194 30.017 29.762 0.102 0.000 1.375 956 H HN 0.555 nan 8.280 nan 0.000 0.509 957 I N -0.067 120.674 120.570 0.284 0.000 2.233 957 I HA -0.242 3.928 4.170 0.000 0.000 0.243 957 I C 2.704 178.937 176.117 0.193 0.000 1.093 957 I CA 1.486 62.919 61.300 0.221 0.000 1.380 957 I CB -0.424 37.709 38.000 0.222 0.000 1.067 957 I HN 0.280 nan 8.210 nan 0.000 0.413 958 H N 1.255 120.414 119.070 0.149 0.000 2.319 958 H HA -0.164 4.392 4.556 0.000 0.000 0.299 958 H C 2.364 177.751 175.328 0.098 0.000 1.092 958 H CA 1.881 57.997 56.048 0.114 0.000 1.302 958 H CB -0.178 29.640 29.762 0.094 0.000 1.373 958 H HN 0.050 nan 8.280 nan 0.000 0.497 959 R N 0.040 120.335 120.500 -0.342 0.000 2.091 959 R HA -0.054 4.286 4.340 0.000 0.000 0.238 959 R C 2.673 178.919 176.300 -0.090 0.000 1.136 959 R CA 1.375 57.295 56.100 -0.300 0.000 0.959 959 R CB -0.508 29.729 30.300 -0.105 0.000 0.856 959 R HN 0.530 nan 8.270 nan 0.000 0.437 960 A N 0.639 123.455 122.820 -0.006 0.000 1.902 960 A HA -0.177 4.143 4.320 0.000 0.000 0.217 960 A C 1.982 179.541 177.584 -0.040 0.000 1.181 960 A CA 1.223 53.230 52.037 -0.049 0.000 0.623 960 A CB -0.611 18.380 19.000 -0.014 0.000 0.818 960 A HN 0.270 nan 8.150 nan 0.000 0.443 961 L N -0.101 121.123 121.223 0.001 0.000 1.989 961 L HA -0.234 4.106 4.340 0.000 0.000 0.211 961 L C 2.531 179.398 176.870 -0.006 0.000 1.071 961 L CA 2.723 57.577 54.840 0.024 0.000 0.749 961 L CB -0.924 41.170 42.059 0.059 0.000 0.890 961 L HN 0.612 nan 8.230 nan 0.000 0.431 962 Q N -1.592 118.182 119.800 -0.043 0.000 2.234 962 Q HA -0.235 4.105 4.340 0.000 0.000 0.206 962 Q C 2.143 178.138 176.000 -0.008 0.000 0.980 962 Q CA 1.378 57.159 55.803 -0.038 0.000 0.869 962 Q CB 0.008 28.696 28.738 -0.084 0.000 0.912 962 Q HN 0.593 nan 8.270 nan 0.000 0.436 963 Q N -0.502 119.298 119.800 -0.000 0.000 2.046 963 Q HA -0.118 4.222 4.340 0.000 0.000 0.200 963 Q C 2.218 178.249 176.000 0.052 0.000 0.975 963 Q CA 1.398 57.225 55.803 0.040 0.000 0.836 963 Q CB -0.125 28.649 28.738 0.060 0.000 0.896 963 Q HN 0.317 nan 8.270 nan 0.000 0.428 964 V N 1.430 121.368 119.914 0.039 0.000 2.332 964 V HA -0.267 3.853 4.120 0.000 0.000 0.248 964 V C 2.094 178.238 176.094 0.084 0.000 1.055 964 V CA 1.973 64.321 62.300 0.081 0.000 1.038 964 V CB -0.586 31.294 31.823 0.094 0.000 0.651 964 V HN 0.382 nan 8.190 nan 0.000 0.450 965 E N 0.738 120.950 120.200 0.021 0.000 2.085 965 E HA -0.203 4.147 4.350 0.000 0.000 0.194 965 E C 2.395 179.025 176.600 0.050 0.000 0.994 965 E CA 1.784 58.174 56.400 -0.016 0.000 0.801 965 E CB -0.221 29.443 29.700 -0.060 0.000 0.743 965 E HN 0.798 nan 8.360 nan 0.000 0.453 966 S N 0.161 115.895 115.700 0.056 0.000 2.377 966 S HA -0.097 4.373 4.470 0.000 0.000 0.223 966 S C 2.177 176.825 174.600 0.081 0.000 1.030 966 S CA 1.285 59.521 58.200 0.061 0.000 0.970 966 S CB -0.588 62.641 63.200 0.049 0.000 0.830 966 S HN 0.107 nan 8.310 nan 0.000 0.473 967 T N 1.749 116.362 114.554 0.097 0.000 2.720 967 T HA -0.069 4.281 4.350 0.000 0.000 0.268 967 T C 1.321 176.097 174.700 0.126 0.000 1.037 967 T CA 1.501 63.663 62.100 0.102 0.000 1.144 967 T CB -0.783 68.152 68.868 0.113 0.000 0.864 967 T HN 0.397 nan 8.240 nan 0.000 0.444 968 F N 1.145 121.095 119.950 0.000 0.000 2.154 968 F HA -0.177 4.350 4.527 0.000 0.000 0.301 968 F C 2.366 178.122 175.800 -0.073 0.000 1.087 968 F CA 1.249 59.205 58.000 -0.074 0.000 1.274 968 F CB -0.296 38.521 39.000 -0.306 0.000 1.009 968 F HN 0.013 nan 8.300 nan 0.000 0.485 969 M N 0.025 119.733 119.600 0.180 0.000 2.260 969 M HA -0.182 4.298 4.480 0.000 0.000 0.261 969 M C 1.840 178.134 176.300 -0.010 0.000 1.066 969 M CA 1.913 57.260 55.300 0.079 0.000 1.082 969 M CB -0.675 31.957 32.600 0.053 0.000 1.388 969 M HN 0.189 nan 8.290 nan 0.000 0.419 970 A N -1.336 121.474 122.820 -0.017 0.000 1.944 970 A HA 0.112 4.432 4.320 0.000 0.000 0.207 970 A C 1.591 179.121 177.584 -0.090 0.000 1.265 970 A CA 0.360 52.365 52.037 -0.053 0.000 0.712 970 A CB -0.243 18.734 19.000 -0.039 0.000 0.915 970 A HN 0.417 nan 8.150 nan 0.000 0.470 971 E N 0.511 120.663 120.200 -0.082 0.000 2.416 971 E HA 0.063 4.413 4.350 0.000 0.000 0.189 971 E C 1.271 177.811 176.600 -0.100 0.000 1.091 971 E CA -0.014 56.320 56.400 -0.110 0.000 0.889 971 E CB -0.354 29.285 29.700 -0.102 0.000 1.015 971 E HN 0.667 nan 8.360 nan 0.000 0.479 972 M N 0.523 120.003 119.600 -0.201 0.000 2.144 972 M HA -0.191 4.289 4.480 0.000 0.000 0.260 972 M C 1.626 177.895 176.300 -0.051 0.000 1.067 972 M CA 1.208 56.340 55.300 -0.279 0.000 1.095 972 M CB -0.326 32.099 32.600 -0.291 0.000 1.365 972 M HN 0.077 nan 8.290 nan 0.000 0.406 973 N N 0.556 119.213 118.700 -0.071 0.000 2.520 973 N HA -0.075 4.665 4.740 0.000 0.000 0.185 973 N C 1.374 176.874 175.510 -0.017 0.000 1.068 973 N CA 0.965 54.033 53.050 0.031 0.000 0.911 973 N CB -0.092 38.414 38.487 0.032 0.000 0.961 973 N HN 0.285 nan 8.380 nan 0.000 0.446 974 L N -0.562 120.537 121.223 -0.208 0.000 2.376 974 L HA -0.024 4.316 4.340 0.000 0.000 0.219 974 L C 0.917 177.593 176.870 -0.324 0.000 1.133 974 L CA 1.101 55.732 54.840 -0.349 0.000 0.816 974 L CB -0.353 41.316 42.059 -0.650 0.000 0.933 974 L HN 0.061 nan 8.230 nan 0.000 0.449 975 F N -0.663 119.259 119.950 -0.046 0.000 2.639 975 F HA 0.245 4.772 4.527 0.000 0.000 0.300 975 F C 0.626 176.436 175.800 0.017 0.000 1.109 975 F CA -0.628 57.360 58.000 -0.020 0.000 1.335 975 F CB -0.630 38.311 39.000 -0.099 0.000 1.014 975 F HN 0.021 nan 8.300 nan 0.000 0.537 976 N N -0.547 118.197 118.700 0.074 0.000 2.708 976 N HA -0.174 4.566 4.740 0.000 0.000 0.251 976 N C -0.726 174.779 175.510 -0.008 0.000 1.123 976 N CA 0.650 53.646 53.050 -0.091 0.000 0.739 976 N CB -1.952 36.414 38.487 -0.202 0.000 1.113 976 N HN 0.170 nan 8.380 nan 0.000 0.561 977 V N -0.413 119.547 119.914 0.077 0.000 2.394 977 V HA 0.819 4.939 4.120 0.000 0.000 0.282 977 V C 0.723 176.779 176.094 -0.064 0.000 1.031 977 V CA -0.610 61.676 62.300 -0.023 0.000 0.881 977 V CB 1.701 33.508 31.823 -0.027 0.000 0.982 977 V HN 0.378 nan 8.190 nan 0.000 0.451 978 A N 5.685 128.352 122.820 -0.255 0.000 2.322 978 A HA 0.904 5.224 4.320 0.000 0.000 0.327 978 A C -0.214 176.974 177.584 -0.660 0.000 1.134 978 A CA -0.899 50.801 52.037 -0.562 0.000 0.831 978 A CB 1.251 19.672 19.000 -0.966 0.000 1.288 978 A HN 0.825 nan 8.150 nan 0.000 0.472 979 R N -0.008 120.229 120.500 -0.439 0.000 2.589 979 R HA 0.685 5.025 4.340 0.000 0.000 0.293 979 R C 0.276 176.648 176.300 0.119 0.000 0.963 979 R CA 0.208 56.265 56.100 -0.073 0.000 0.905 979 R CB 1.747 32.009 30.300 -0.064 0.000 1.144 979 R HN 1.748 nan 8.270 nan 0.000 0.459 980 G N 1.770 110.745 108.800 0.292 0.000 2.466 980 G HA2 -0.197 3.764 3.960 0.000 0.000 0.316 980 G HA3 -0.197 3.764 3.960 0.000 0.000 0.316 980 G C -1.380 173.707 174.900 0.311 0.000 1.270 980 G CA -0.987 44.267 45.100 0.256 0.000 0.982 980 G HN 0.531 nan 8.290 nan 0.000 0.506 981 N N -0.437 118.362 118.700 0.164 0.000 2.384 981 N HA 0.661 5.401 4.740 0.000 0.000 0.301 981 N C -0.156 175.441 175.510 0.146 0.000 1.133 981 N CA -0.574 52.538 53.050 0.104 0.000 0.853 981 N CB 1.654 40.182 38.487 0.069 0.000 1.241 981 N HN 0.580 nan 8.380 nan 0.000 0.502 982 L N 1.488 122.730 121.223 0.032 0.000 2.312 982 L HA 0.318 4.658 4.340 0.000 0.000 0.281 982 L C -0.679 176.289 176.870 0.163 0.000 1.070 982 L CA -0.540 54.349 54.840 0.081 0.000 0.805 982 L CB 0.397 42.386 42.059 -0.116 0.000 1.174 982 L HN 0.329 nan 8.230 nan 0.000 0.434 983 Y N 3.752 124.096 120.300 0.074 0.000 2.335 983 Y HA 0.449 4.999 4.550 0.000 0.000 0.338 983 Y C -0.318 175.548 175.900 -0.056 0.000 0.977 983 Y CA -1.389 56.643 58.100 -0.113 0.000 1.114 983 Y CB 1.561 39.697 38.460 -0.540 0.000 1.182 983 Y HN 0.351 nan 8.280 nan 0.000 0.463 984 L N 6.617 127.944 121.223 0.174 0.000 2.259 984 L HA 0.509 4.849 4.340 0.000 0.000 0.288 984 L C -0.446 176.486 176.870 0.104 0.000 1.051 984 L CA -0.709 54.218 54.840 0.146 0.000 0.824 984 L CB 0.947 43.118 42.059 0.187 0.000 1.206 984 L HN 0.267 nan 8.230 nan 0.000 0.429 985 V N 3.480 123.440 119.914 0.077 0.000 2.588 985 V HA 0.237 4.357 4.120 0.000 0.000 0.304 985 V C -0.031 176.001 176.094 -0.104 0.000 1.042 985 V CA -0.641 61.653 62.300 -0.010 0.000 0.877 985 V CB 2.309 34.084 31.823 -0.080 0.000 0.996 985 V HN 0.800 nan 8.190 nan 0.000 0.425 986 Q N 3.852 123.568 119.800 -0.140 0.000 2.457 986 Q HA 0.050 4.390 4.340 0.000 0.000 0.285 986 Q C 0.055 175.968 176.000 -0.145 0.000 1.275 986 Q CA 0.748 56.397 55.803 -0.256 0.000 0.992 986 Q CB -0.136 28.554 28.738 -0.079 0.000 1.334 986 Q HN 0.887 nan 8.270 nan 0.000 0.460 987 T N 0.631 115.116 114.554 -0.115 0.000 2.842 987 T HA 0.713 5.063 4.350 0.000 0.000 0.308 987 T C -0.262 174.503 174.700 0.108 0.000 1.041 987 T CA -0.575 61.593 62.100 0.113 0.000 0.964 987 T CB 1.603 70.762 68.868 0.486 0.000 0.972 987 T HN 0.423 nan 8.240 nan 0.000 0.460 988 A N 3.371 126.181 122.820 -0.016 0.000 2.838 988 A HA 0.657 4.977 4.320 0.000 0.000 0.337 988 A C 0.421 177.929 177.584 -0.127 0.000 1.383 988 A CA -0.603 51.411 52.037 -0.038 0.000 0.985 988 A CB 0.054 19.039 19.000 -0.025 0.000 1.157 988 A HN 0.829 nan 8.150 nan 0.000 0.497 989 T N 0.552 114.965 114.554 -0.234 0.000 2.888 989 T HA 0.467 4.817 4.350 0.000 0.000 0.288 989 T C -0.707 173.776 174.700 -0.362 0.000 1.063 989 T CA -0.716 61.148 62.100 -0.393 0.000 1.010 989 T CB 1.027 69.479 68.868 -0.694 0.000 1.214 989 T HN 0.572 nan 8.240 nan 0.000 0.533 990 N N 1.037 119.527 118.700 -0.349 0.000 2.623 990 N HA 0.566 5.306 4.740 0.000 0.000 0.256 990 N C -0.641 174.669 175.510 -0.334 0.000 1.045 990 N CA -0.605 52.293 53.050 -0.252 0.000 0.863 990 N CB 1.391 39.790 38.487 -0.147 0.000 1.182 990 N HN 0.975 nan 8.380 nan 0.000 0.523 991 G N 1.219 109.777 108.800 -0.402 0.000 2.333 991 G HA2 -0.137 3.823 3.960 0.000 0.000 0.330 991 G HA3 -0.137 3.823 3.960 0.000 0.000 0.330 991 G C -1.297 173.376 174.900 -0.379 0.000 1.465 991 G CA -1.038 43.812 45.100 -0.417 0.000 0.996 991 G HN 0.580 nan 8.290 nan 0.000 0.655 992 N N 0.377 118.933 118.700 -0.240 0.000 3.331 992 N HA 0.103 4.843 4.740 0.000 0.000 0.303 992 N C 0.375 175.991 175.510 0.176 0.000 1.326 992 N CA -0.676 52.369 53.050 -0.009 0.000 1.207 992 N CB 0.026 38.428 38.487 -0.141 0.000 1.477 992 N HN 0.800 nan 8.380 nan 0.000 0.541 993 W N 1.704 122.910 121.300 -0.157 0.000 2.688 993 W HA 0.192 4.852 4.660 0.000 0.000 0.402 993 W C -0.164 176.356 176.519 0.002 0.000 1.188 993 W CA -1.225 56.041 57.345 -0.133 0.000 1.561 993 W CB 0.094 29.405 29.460 -0.248 0.000 1.653 993 W HN 0.046 nan 8.180 nan 0.000 0.442 994 S N 5.299 121.070 115.700 0.118 0.000 2.555 994 S HA 0.017 4.487 4.470 0.000 0.000 0.293 994 S C -0.819 173.733 174.600 -0.079 0.000 1.248 994 S CA -0.672 57.524 58.200 -0.006 0.000 1.096 994 S CB 0.742 63.930 63.200 -0.020 0.000 0.881 994 S HN 0.420 nan 8.310 nan 0.000 0.498 995 P HA -0.136 nan 4.420 nan 0.000 0.217 995 P C 1.543 178.440 177.300 -0.671 0.000 1.148 995 P CA 1.197 63.965 63.100 -0.554 0.000 0.828 995 P CB 0.104 31.003 31.700 -1.335 0.000 0.783 996 M N -1.516 117.789 119.600 -0.492 0.000 2.254 996 M HA 0.011 4.491 4.480 0.000 0.000 0.265 996 M C 0.843 177.099 176.300 -0.072 0.000 1.066 996 M CA 0.932 56.108 55.300 -0.206 0.000 1.123 996 M CB -0.777 31.765 32.600 -0.096 0.000 1.388 996 M HN -0.163 nan 8.290 nan 0.000 0.425 997 A N 1.878 124.662 122.820 -0.060 0.000 2.709 997 A HA 0.575 4.895 4.320 0.000 0.000 0.332 997 A C -2.514 175.072 177.584 0.004 0.000 1.241 997 A CA -1.112 50.913 52.037 -0.019 0.000 0.782 997 A CB 0.113 19.100 19.000 -0.021 0.000 1.109 997 A HN 0.031 nan 8.150 nan 0.000 0.472 998 P HA 0.323 nan 4.420 nan 0.000 0.297 998 P C 0.137 177.461 177.300 0.040 0.000 1.331 998 P CA -0.367 62.775 63.100 0.069 0.000 0.803 998 P CB 1.512 33.334 31.700 0.203 0.000 0.929 999 V N 0.922 120.851 119.914 0.025 0.000 2.248 999 V HA 0.229 4.349 4.120 0.000 0.000 0.309 999 V C 1.579 177.702 176.094 0.048 0.000 1.722 999 V CA -0.277 62.034 62.300 0.018 0.000 1.693 999 V CB -1.357 30.467 31.823 0.001 0.000 1.470 999 V HN 0.648 nan 8.190 nan 0.000 0.518 1000 A N 1.664 124.516 122.820 0.052 0.000 1.998 1000 A HA -0.014 4.306 4.320 0.000 0.000 0.195 1000 A C 2.032 179.692 177.584 0.127 0.000 1.489 1000 A CA 1.241 53.320 52.037 0.071 0.000 1.379 1000 A CB -0.611 18.231 19.000 -0.263 0.000 0.688 1000 A HN 1.208 nan 8.150 nan 0.000 0.621 1001 A N -0.280 122.629 122.820 0.148 0.000 2.168 1001 A HA 0.235 4.555 4.320 0.000 0.000 0.215 1001 A C -0.700 177.008 177.584 0.206 0.000 1.152 1001 A CA 0.101 52.221 52.037 0.139 0.000 0.716 1001 A CB -0.815 18.229 19.000 0.073 0.000 0.794 1001 A HN 0.534 nan 8.150 nan 0.000 0.465 1002 P HA 0.108 nan 4.420 nan 0.000 0.270 1002 P C -2.509 175.011 177.300 0.368 0.000 1.221 1002 P CA -0.958 62.298 63.100 0.259 0.000 0.788 1002 P CB 0.110 31.917 31.700 0.178 0.000 0.904 1003 P HA 0.080 nan 4.420 nan 0.000 0.241 1003 P C -0.010 177.547 177.300 0.429 0.000 1.760 1003 P CA 0.191 63.458 63.100 0.279 0.000 1.081 1003 P CB -0.719 31.079 31.700 0.163 0.000 1.975 1004 F N 0.951 121.011 119.950 0.182 0.000 2.722 1004 F HA -0.086 4.441 4.527 0.000 0.000 0.298 1004 F C 1.594 177.308 175.800 -0.144 0.000 1.175 1004 F CA 0.396 58.334 58.000 -0.104 0.000 1.462 1004 F CB 0.124 39.085 39.000 -0.065 0.000 1.111 1004 F HN 0.072 nan 8.300 nan 0.000 0.592 1005 V N -3.579 116.417 119.914 0.136 0.000 3.103 1005 V HA 0.475 4.595 4.120 0.000 0.000 0.318 1005 V C 1.051 177.181 176.094 0.060 0.000 1.114 1005 V CA -1.291 61.050 62.300 0.069 0.000 1.020 1005 V CB 1.568 33.425 31.823 0.057 0.000 1.085 1005 V HN -0.192 nan 8.190 nan 0.000 0.446 1006 R N 1.996 122.521 120.500 0.042 0.000 2.070 1006 R HA -0.006 4.334 4.340 0.000 0.000 0.233 1006 R C 1.976 178.305 176.300 0.048 0.000 1.137 1006 R CA 1.559 57.684 56.100 0.043 0.000 0.945 1006 R CB -1.302 29.017 30.300 0.032 0.000 0.845 1006 R HN 1.018 nan 8.270 nan 0.000 0.430 1007 G N 1.497 110.323 108.800 0.043 0.000 3.135 1007 G HA2 0.064 4.024 3.960 0.000 0.000 0.208 1007 G HA3 0.064 4.024 3.960 0.000 0.000 0.208 1007 G C 0.426 175.357 174.900 0.051 0.000 1.212 1007 G CA 0.350 45.475 45.100 0.043 0.000 0.928 1007 G HN 0.363 nan 8.290 nan 0.000 0.500 1008 G N 0.053 108.892 108.800 0.064 0.000 2.395 1008 G HA2 0.494 4.454 3.960 0.000 0.000 0.283 1008 G HA3 0.494 4.454 3.960 0.000 0.000 0.283 1008 G C -2.715 172.223 174.900 0.063 0.000 1.178 1008 G CA -1.124 44.023 45.100 0.078 0.000 0.837 1008 G HN -0.010 nan 8.290 nan 0.000 0.518 1009 P HA 0.156 nan 4.420 nan 0.000 0.269 1009 P C 0.180 177.496 177.300 0.027 0.000 1.263 1009 P CA 0.061 63.182 63.100 0.034 0.000 0.813 1009 P CB 0.386 32.100 31.700 0.023 0.000 0.868 1010 N N 1.669 120.384 118.700 0.026 0.000 2.754 1010 N HA -0.134 4.606 4.740 0.000 0.000 0.248 1010 N C -0.944 174.580 175.510 0.024 0.000 1.093 1010 N CA 0.428 53.486 53.050 0.014 0.000 0.699 1010 N CB -0.992 37.483 38.487 -0.019 0.000 1.016 1010 N HN 0.078 nan 8.380 nan 0.000 0.552 1011 V N 1.384 121.337 119.914 0.065 0.000 2.220 1011 V HA 0.355 4.475 4.120 0.000 0.000 0.265 1011 V C 0.172 176.336 176.094 0.116 0.000 1.078 1011 V CA -0.489 61.873 62.300 0.103 0.000 0.872 1011 V CB 0.716 32.616 31.823 0.128 0.000 1.121 1011 V HN 0.114 nan 8.190 nan 0.000 0.460 1012 R N 2.349 122.943 120.500 0.157 0.000 2.368 1012 R HA 0.597 4.937 4.340 0.000 0.000 0.302 1012 R C -0.342 176.131 176.300 0.288 0.000 1.002 1012 R CA -0.516 55.719 56.100 0.225 0.000 0.929 1012 R CB 2.113 32.594 30.300 0.302 0.000 1.073 1012 R HN 0.480 nan 8.270 nan 0.000 0.464 1013 V N -0.324 119.698 119.914 0.180 0.000 2.539 1013 V HA 0.628 4.748 4.120 0.000 0.000 0.292 1013 V C 0.048 176.187 176.094 0.076 0.000 1.045 1013 V CA -0.733 61.642 62.300 0.125 0.000 0.945 1013 V CB 1.849 33.716 31.823 0.072 0.000 0.993 1013 V HN 0.358 nan 8.190 nan 0.000 0.464 1014 V N 4.078 124.035 119.914 0.072 0.000 2.443 1014 V HA 0.677 4.797 4.120 0.000 0.000 0.272 1014 V C 0.613 176.716 176.094 0.015 0.000 1.002 1014 V CA 0.219 62.516 62.300 -0.006 0.000 0.840 1014 V CB 1.150 32.884 31.823 -0.148 0.000 1.042 1014 V HN 1.230 nan 8.190 nan 0.000 0.446 1015 G N 4.036 112.775 108.800 -0.102 0.000 3.565 1015 G HA2 0.687 4.647 3.960 0.000 0.000 0.346 1015 G HA3 0.687 4.647 3.960 0.000 0.000 0.346 1015 G C -0.352 174.294 174.900 -0.422 0.000 1.363 1015 G CA -0.470 44.468 45.100 -0.269 0.000 1.134 1015 G HN 0.524 nan 8.290 nan 0.000 0.471 1016 R N 0.401 120.649 120.500 -0.421 0.000 2.808 1016 R HA 0.567 4.907 4.340 0.000 0.000 0.272 1016 R C -1.253 174.857 176.300 -0.317 0.000 0.995 1016 R CA -0.826 55.025 56.100 -0.415 0.000 0.917 1016 R CB 2.045 32.244 30.300 -0.169 0.000 1.217 1016 R HN 0.309 nan 8.270 nan 0.000 0.471 1017 F N 1.117 121.021 119.950 -0.077 0.000 2.334 1017 F HA 0.445 4.972 4.527 0.000 0.000 0.367 1017 F C 1.339 177.071 175.800 -0.112 0.000 1.115 1017 F CA 0.018 57.966 58.000 -0.087 0.000 1.116 1017 F CB 1.570 40.534 39.000 -0.060 0.000 1.230 1017 F HN 0.842 nan 8.300 nan 0.000 0.484 1018 G N 1.509 110.321 108.800 0.020 0.000 2.527 1018 G HA2 -0.317 3.643 3.960 0.000 0.000 0.218 1018 G HA3 -0.317 3.643 3.960 0.000 0.000 0.218 1018 G C 0.411 175.229 174.900 -0.137 0.000 1.177 1018 G CA -0.148 44.910 45.100 -0.071 0.000 0.695 1018 G HN 0.844 nan 8.290 nan 0.000 0.517 1019 T N 0.306 114.798 114.554 -0.104 0.000 2.866 1019 T HA 0.454 4.804 4.350 0.000 0.000 0.293 1019 T C -0.135 174.463 174.700 -0.171 0.000 1.005 1019 T CA 0.878 62.910 62.100 -0.113 0.000 1.162 1019 T CB 1.849 70.664 68.868 -0.087 0.000 0.968 1019 T HN 1.368 nan 8.240 nan 0.000 0.530 1020 I N 2.676 123.152 120.570 -0.158 0.000 2.827 1020 I HA 0.513 4.683 4.170 0.000 0.000 0.298 1020 I C -1.325 174.713 176.117 -0.131 0.000 1.235 1020 I CA -1.246 59.942 61.300 -0.186 0.000 1.021 1020 I CB 2.572 40.408 38.000 -0.274 0.000 1.259 1020 I HN 0.582 nan 8.210 nan 0.000 0.427 1021 V N 9.018 128.867 119.914 -0.109 0.000 2.334 1021 V HA 0.491 4.611 4.120 0.000 0.000 0.281 1021 V C -1.902 174.152 176.094 -0.068 0.000 1.016 1021 V CA -1.139 61.123 62.300 -0.064 0.000 0.832 1021 V CB 0.945 32.755 31.823 -0.021 0.000 0.999 1021 V HN 0.698 nan 8.190 nan 0.000 0.439 1022 P HA 0.087 nan 4.420 nan 0.000 0.338 1022 P C -0.265 177.045 177.300 0.016 0.000 1.428 1022 P CA -0.254 62.823 63.100 -0.039 0.000 0.867 1022 P CB 0.682 32.361 31.700 -0.036 0.000 2.125 1023 R N 1.274 121.793 120.500 0.032 0.000 2.278 1023 R HA 0.363 4.703 4.340 0.000 0.000 0.322 1023 R C -2.293 174.022 176.300 0.026 0.000 1.058 1023 R CA -1.792 54.332 56.100 0.039 0.000 0.991 1023 R CB -0.540 29.793 30.300 0.055 0.000 1.140 1023 R HN 0.377 nan 8.270 nan 0.000 0.518 1024 P HA 0.214 nan 4.420 nan 0.000 0.290 1024 P C -0.617 176.695 177.300 0.020 0.000 1.283 1024 P CA -0.419 62.691 63.100 0.017 0.000 0.869 1024 P CB 0.901 32.609 31.700 0.013 0.000 1.100 1025 N N 0.722 119.432 118.700 0.017 0.000 2.693 1025 N HA -0.323 4.417 4.740 0.000 0.000 0.250 1025 N C 0.853 176.374 175.510 0.019 0.000 1.033 1025 N CA 1.563 54.624 53.050 0.017 0.000 0.747 1025 N CB -1.963 36.533 38.487 0.015 0.000 0.964 1025 N HN 0.992 nan 8.380 nan 0.000 0.540 1026 G N -1.321 107.492 108.800 0.021 0.000 2.253 1026 G HA2 -0.327 3.634 3.960 0.000 0.000 0.251 1026 G HA3 -0.327 3.634 3.960 0.000 0.000 0.251 1026 G C 0.194 175.112 174.900 0.029 0.000 0.998 1026 G CA 0.368 45.482 45.100 0.023 0.000 0.621 1026 G HN 0.477 nan 8.290 nan 0.000 0.524 1027 L N 1.252 122.493 121.223 0.031 0.000 2.506 1027 L HA 0.255 4.595 4.340 0.000 0.000 0.281 1027 L C 1.194 178.094 176.870 0.050 0.000 1.228 1027 L CA -0.083 54.780 54.840 0.038 0.000 0.850 1027 L CB 0.375 42.457 42.059 0.038 0.000 1.110 1027 L HN 0.357 nan 8.230 nan 0.000 0.496 1028 E N 3.318 123.553 120.200 0.059 0.000 2.442 1028 E HA 0.050 4.400 4.350 0.000 0.000 0.262 1028 E C -2.189 174.469 176.600 0.097 0.000 1.004 1028 E CA -1.533 54.915 56.400 0.081 0.000 0.928 1028 E CB 0.680 30.428 29.700 0.081 0.000 0.937 1028 E HN 0.245 nan 8.360 nan 0.000 0.446 1029 P HA -0.029 nan 4.420 nan 0.000 0.266 1029 P C -1.227 176.160 177.300 0.146 0.000 1.215 1029 P CA 0.704 63.878 63.100 0.124 0.000 0.763 1029 P CB 0.408 32.235 31.700 0.211 0.000 0.806 1030 Q N 1.929 121.786 119.800 0.094 0.000 2.345 1030 Q HA 0.512 4.852 4.340 0.000 0.000 0.268 1030 Q C -0.427 175.606 176.000 0.056 0.000 1.054 1030 Q CA -1.047 54.833 55.803 0.129 0.000 0.835 1030 Q CB 2.047 30.856 28.738 0.118 0.000 1.339 1030 Q HN 0.347 nan 8.270 nan 0.000 0.447 1031 L N 1.619 122.902 121.223 0.101 0.000 2.379 1031 L HA 0.341 4.681 4.340 0.000 0.000 0.269 1031 L C -0.551 176.289 176.870 -0.050 0.000 1.084 1031 L CA -0.796 53.985 54.840 -0.099 0.000 0.802 1031 L CB 0.842 42.611 42.059 -0.483 0.000 1.175 1031 L HN 0.501 nan 8.230 nan 0.000 0.448 1032 I N 2.046 122.547 120.570 -0.116 0.000 2.308 1032 I HA 0.086 4.256 4.170 0.000 0.000 0.293 1032 I C 0.115 176.180 176.117 -0.086 0.000 1.078 1032 I CA 0.030 61.291 61.300 -0.065 0.000 1.292 1032 I CB 0.353 38.314 38.000 -0.066 0.000 1.423 1032 I HN 0.462 nan 8.210 nan 0.000 0.493 1033 D N 4.334 124.733 120.400 -0.001 0.000 2.354 1033 D HA 0.015 4.655 4.640 0.000 0.000 0.238 1033 D C -0.341 175.959 176.300 -0.000 0.000 1.250 1033 D CA 0.364 54.378 54.000 0.024 0.000 0.911 1033 D CB 0.456 41.343 40.800 0.144 0.000 1.163 1033 D HN 0.450 nan 8.370 nan 0.000 0.456 1034 D N -0.003 120.403 120.400 0.009 0.000 2.367 1034 D HA 0.428 5.068 4.640 0.000 0.000 0.255 1034 D C 0.629 176.943 176.300 0.023 0.000 1.300 1034 D CA 0.508 54.511 54.000 0.004 0.000 0.959 1034 D CB 0.244 41.041 40.800 -0.004 0.000 1.064 1034 D HN 0.562 nan 8.370 nan 0.000 0.509 1035 G N 2.862 111.672 108.800 0.017 0.000 2.189 1035 G HA2 -0.244 3.716 3.960 0.000 0.000 0.113 1035 G HA3 -0.244 3.716 3.960 0.000 0.000 0.113 1035 G C 0.802 175.718 174.900 0.026 0.000 1.038 1035 G CA -0.215 44.899 45.100 0.024 0.000 0.704 1035 G HN 0.416 nan 8.290 nan 0.000 0.490 1036 N N -2.542 116.169 118.700 0.018 0.000 2.649 1036 N HA -0.244 4.496 4.740 0.000 0.000 0.214 1036 N C 1.088 176.613 175.510 0.025 0.000 1.042 1036 N CA 2.178 55.238 53.050 0.016 0.000 1.906 1036 N CB -1.706 36.789 38.487 0.015 0.000 0.898 1036 N HN 1.824 nan 8.380 nan 0.000 0.532 1037 V N -0.176 119.762 119.914 0.039 0.000 2.621 1037 V HA 0.191 4.311 4.120 0.000 0.000 0.300 1037 V C -2.160 173.978 176.094 0.073 0.000 1.031 1037 V CA -0.886 61.447 62.300 0.056 0.000 1.210 1037 V CB -0.199 31.663 31.823 0.065 0.000 0.864 1037 V HN 0.084 nan 8.190 nan 0.000 0.477 1038 P HA 0.438 nan 4.420 nan 0.000 0.282 1038 P C -0.444 176.935 177.300 0.132 0.000 1.262 1038 P CA -0.138 63.014 63.100 0.085 0.000 0.773 1038 P CB 0.584 32.318 31.700 0.056 0.000 0.879 1039 R N 2.894 123.525 120.500 0.219 0.000 2.532 1039 R HA 0.247 4.587 4.340 0.000 0.000 0.297 1039 R C -0.834 175.674 176.300 0.346 0.000 0.984 1039 R CA -0.712 55.549 56.100 0.268 0.000 0.884 1039 R CB 0.932 31.454 30.300 0.371 0.000 1.182 1039 R HN 0.378 nan 8.270 nan 0.000 0.442 1040 D N 3.021 123.541 120.400 0.200 0.000 2.860 1040 D HA -0.178 4.462 4.640 0.000 0.000 0.210 1040 D C 1.062 177.517 176.300 0.257 0.000 1.139 1040 D CA 0.800 54.906 54.000 0.177 0.000 0.821 1040 D CB 0.467 41.307 40.800 0.066 0.000 1.196 1040 D HN 0.504 nan 8.370 nan 0.000 0.522 1041 I N -1.264 119.493 120.570 0.311 0.000 3.443 1041 I HA 0.280 4.450 4.170 0.000 0.000 0.312 1041 I C 0.346 176.456 176.117 -0.011 0.000 1.155 1041 I CA -0.290 61.192 61.300 0.303 0.000 1.210 1041 I CB -1.133 37.138 38.000 0.452 0.000 0.999 1041 I HN 0.255 nan 8.210 nan 0.000 0.537 1042 A N 0.182 122.886 122.820 -0.193 0.000 2.371 1042 A HA 0.993 5.313 4.320 0.000 0.000 0.311 1042 A C 0.228 177.553 177.584 -0.432 0.000 1.068 1042 A CA 0.090 51.983 52.037 -0.240 0.000 0.744 1042 A CB 1.084 20.014 19.000 -0.116 0.000 1.239 1042 A HN 0.822 nan 8.150 nan 0.000 0.435 1043 G N 0.629 109.169 108.800 -0.434 0.000 2.403 1043 G HA2 0.282 4.242 3.960 0.000 0.000 0.223 1043 G HA3 0.282 4.242 3.960 0.000 0.000 0.223 1043 G C -1.980 172.693 174.900 -0.378 0.000 1.287 1043 G CA -0.434 44.409 45.100 -0.428 0.000 0.982 1043 G HN 0.631 nan 8.290 nan 0.000 0.471 1044 D N 0.895 121.096 120.400 -0.332 0.000 2.473 1044 D HA 0.341 4.981 4.640 0.000 0.000 0.226 1044 D C -0.953 175.280 176.300 -0.113 0.000 1.089 1044 D CA -0.101 53.799 54.000 -0.166 0.000 0.883 1044 D CB 0.884 41.676 40.800 -0.013 0.000 1.029 1044 D HN 0.223 nan 8.370 nan 0.000 0.517 1045 W N 2.010 123.266 121.300 -0.073 0.000 2.335 1045 W HA 0.276 4.936 4.660 0.000 0.000 0.307 1045 W C -0.186 176.116 176.519 -0.362 0.000 1.117 1045 W CA -0.868 56.309 57.345 -0.280 0.000 1.228 1045 W CB 1.127 30.267 29.460 -0.533 0.000 1.240 1045 W HN -0.019 nan 8.180 nan 0.000 0.468 1046 V N 6.304 126.252 119.914 0.057 0.000 2.370 1046 V HA 0.313 4.433 4.120 0.000 0.000 0.279 1046 V C -0.905 175.247 176.094 0.097 0.000 1.029 1046 V CA -0.818 61.485 62.300 0.004 0.000 0.870 1046 V CB 0.391 32.240 31.823 0.044 0.000 0.984 1046 V HN 0.187 nan 8.190 nan 0.000 0.451 1047 Y N 4.922 125.255 120.300 0.055 0.000 2.361 1047 Y HA 0.523 5.073 4.550 0.000 0.000 0.337 1047 Y C -2.603 173.270 175.900 -0.047 0.000 0.965 1047 Y CA -3.848 54.242 58.100 -0.017 0.000 1.091 1047 Y CB 1.488 39.906 38.460 -0.070 0.000 1.182 1047 Y HN 0.437 nan 8.280 nan 0.000 0.450 1048 P HA 0.029 nan 4.420 nan 0.000 0.267 1048 P C 0.909 178.207 177.300 -0.004 0.000 1.209 1048 P CA 0.411 63.525 63.100 0.024 0.000 0.763 1048 P CB 1.067 32.763 31.700 -0.007 0.000 0.816 1049 S N 4.264 119.960 115.700 -0.006 0.000 2.420 1049 S HA -0.388 4.082 4.470 0.000 0.000 0.278 1049 S C 1.614 176.177 174.600 -0.063 0.000 1.111 1049 S CA 2.247 60.424 58.200 -0.037 0.000 1.315 1049 S CB -1.717 61.469 63.200 -0.023 0.000 1.226 1049 S HN 0.642 nan 8.310 nan 0.000 0.444 1050 D N 1.980 122.361 120.400 -0.032 0.000 2.191 1050 D HA -0.171 4.469 4.640 0.000 0.000 0.195 1050 D C 2.041 178.353 176.300 0.020 0.000 1.003 1050 D CA 1.859 55.855 54.000 -0.006 0.000 0.867 1050 D CB -0.827 39.992 40.800 0.032 0.000 0.926 1050 D HN 0.498 nan 8.370 nan 0.000 0.450 1051 V N 1.180 121.087 119.914 -0.011 0.000 2.233 1051 V HA -0.259 3.861 4.120 0.000 0.000 0.247 1051 V C 2.820 178.938 176.094 0.041 0.000 1.050 1051 V CA 1.620 63.909 62.300 -0.018 0.000 1.010 1051 V CB -0.849 30.898 31.823 -0.127 0.000 0.637 1051 V HN 0.133 nan 8.190 nan 0.000 0.444 1052 L N -0.167 120.961 121.223 -0.157 0.000 1.963 1052 L HA -0.321 4.019 4.340 0.000 0.000 0.220 1052 L C 2.662 179.526 176.870 -0.011 0.000 1.076 1052 L CA 2.281 56.924 54.840 -0.329 0.000 0.772 1052 L CB -0.708 41.070 42.059 -0.468 0.000 0.892 1052 L HN 0.365 nan 8.230 nan 0.000 0.435 1053 Q N -1.097 118.660 119.800 -0.071 0.000 2.082 1053 Q HA -0.275 4.065 4.340 0.000 0.000 0.211 1053 Q C 2.095 178.095 176.000 -0.000 0.000 1.002 1053 Q CA 2.801 58.569 55.803 -0.058 0.000 0.868 1053 Q CB -0.592 28.099 28.738 -0.078 0.000 0.931 1053 Q HN 0.705 nan 8.270 nan 0.000 0.414 1054 V N -3.396 116.547 119.914 0.048 0.000 2.913 1054 V HA -0.057 4.063 4.120 0.000 0.000 0.260 1054 V C 0.985 177.112 176.094 0.054 0.000 1.098 1054 V CA 1.503 63.837 62.300 0.056 0.000 1.121 1054 V CB 0.283 32.164 31.823 0.096 0.000 0.714 1054 V HN 0.083 nan 8.190 nan 0.000 0.487 1055 S N -0.574 115.187 115.700 0.101 0.000 2.825 1055 S HA 0.327 4.797 4.470 0.000 0.000 0.242 1055 S C 1.031 175.691 174.600 0.100 0.000 0.980 1055 S CA 0.199 58.419 58.200 0.033 0.000 1.107 1055 S CB 0.953 64.097 63.200 -0.092 0.000 1.172 1055 S HN 0.546 nan 8.310 nan 0.000 0.483 1056 V N 0.605 120.612 119.914 0.155 0.000 2.231 1056 V HA -0.230 3.890 4.120 0.000 0.000 0.250 1056 V C 2.540 178.770 176.094 0.226 0.000 1.058 1056 V CA 2.209 64.640 62.300 0.217 0.000 1.022 1056 V CB -1.703 30.141 31.823 0.036 0.000 0.640 1056 V HN 0.541 nan 8.190 nan 0.000 0.445 1057 A N 0.146 123.018 122.820 0.087 0.000 1.986 1057 A HA -0.145 4.175 4.320 0.000 0.000 0.220 1057 A C 2.387 180.031 177.584 0.099 0.000 1.171 1057 A CA 2.470 54.551 52.037 0.073 0.000 0.640 1057 A CB -1.057 17.964 19.000 0.034 0.000 0.811 1057 A HN 0.537 nan 8.150 nan 0.000 0.451 1058 V N -1.334 118.585 119.914 0.009 0.000 2.343 1058 V HA -0.245 3.875 4.120 0.000 0.000 0.247 1058 V C 2.280 178.433 176.094 0.098 0.000 1.051 1058 V CA 2.088 64.359 62.300 -0.048 0.000 1.036 1058 V CB -0.989 30.633 31.823 -0.335 0.000 0.654 1058 V HN 0.588 nan 8.190 nan 0.000 0.451 1059 F N -0.241 119.773 119.950 0.107 0.000 2.113 1059 F HA -0.060 4.467 4.527 0.000 0.000 0.297 1059 F C 2.637 178.581 175.800 0.239 0.000 1.103 1059 F CA 1.424 59.517 58.000 0.156 0.000 1.248 1059 F CB -0.631 38.406 39.000 0.061 0.000 0.999 1059 F HN -0.067 nan 8.300 nan 0.000 0.475 1060 R N 0.913 121.641 120.500 0.380 0.000 2.105 1060 R HA -0.195 4.145 4.340 0.000 0.000 0.239 1060 R C 1.636 178.161 176.300 0.375 0.000 1.135 1060 R CA 2.020 58.300 56.100 0.300 0.000 0.967 1060 R CB -0.886 29.503 30.300 0.148 0.000 0.861 1060 R HN 0.277 nan 8.270 nan 0.000 0.442 1061 D N -1.247 119.322 120.400 0.282 0.000 2.091 1061 D HA -0.114 4.527 4.640 0.000 0.000 0.199 1061 D C 1.522 177.832 176.300 0.016 0.000 0.980 1061 D CA 1.252 55.349 54.000 0.162 0.000 0.831 1061 D CB -0.020 40.898 40.800 0.197 0.000 0.987 1061 D HN 0.199 nan 8.370 nan 0.000 0.460 1062 Y N -0.559 119.847 120.300 0.176 0.000 2.389 1062 Y HA 0.070 4.620 4.550 0.000 0.000 0.292 1062 Y C 2.161 178.217 175.900 0.259 0.000 1.117 1062 Y CA 0.792 59.002 58.100 0.182 0.000 1.195 1062 Y CB -0.239 38.298 38.460 0.128 0.000 1.076 1062 Y HN -0.026 nan 8.280 nan 0.000 0.548 1063 V N -2.093 118.112 119.914 0.484 0.000 2.492 1063 V HA -0.137 3.983 4.120 0.000 0.000 0.241 1063 V C 2.100 178.456 176.094 0.437 0.000 1.041 1063 V CA 0.976 63.574 62.300 0.497 0.000 1.057 1063 V CB -1.170 31.055 31.823 0.670 0.000 0.711 1063 V HN 0.637 nan 8.190 nan 0.000 0.468 1064 W N 2.381 123.816 121.300 0.225 0.000 2.262 1064 W HA -0.267 4.393 4.660 0.000 0.000 0.331 1064 W C -0.311 176.268 176.519 0.099 0.000 1.315 1064 W CA 2.658 60.090 57.345 0.145 0.000 1.302 1064 W CB -1.864 27.668 29.460 0.120 0.000 1.128 1064 W HN 0.325 nan 8.180 nan 0.000 0.482 1065 P HA -0.317 nan 4.420 nan 0.000 0.221 1065 P C 1.818 179.041 177.300 -0.128 0.000 1.160 1065 P CA 2.874 65.858 63.100 -0.194 0.000 0.933 1065 P CB -0.564 31.066 31.700 -0.117 0.000 0.793 1066 M N -1.733 117.872 119.600 0.009 0.000 2.374 1066 M HA -0.073 4.407 4.480 0.000 0.000 0.264 1066 M C 1.964 178.305 176.300 0.068 0.000 1.067 1066 M CA 1.183 56.504 55.300 0.034 0.000 1.103 1066 M CB -1.461 31.177 32.600 0.062 0.000 1.402 1066 M HN -0.152 nan 8.290 nan 0.000 0.444 1067 V N 0.179 120.181 119.914 0.147 0.000 2.270 1067 V HA -0.262 3.858 4.120 0.000 0.000 0.245 1067 V C 2.460 178.686 176.094 0.221 0.000 1.043 1067 V CA 1.837 64.284 62.300 0.245 0.000 1.014 1067 V CB -0.828 31.273 31.823 0.463 0.000 0.645 1067 V HN 0.425 nan 8.190 nan 0.000 0.447 1068 K N 0.185 120.546 120.400 -0.065 0.000 2.057 1068 K HA -0.067 4.253 4.320 0.000 0.000 0.207 1068 K C 1.596 178.155 176.600 -0.069 0.000 1.049 1068 K CA 1.680 57.823 56.287 -0.239 0.000 0.931 1068 K CB -0.133 31.840 32.500 -0.879 0.000 0.714 1068 K HN 0.472 nan 8.250 nan 0.000 0.440 1069 A N -0.853 121.911 122.820 -0.094 0.000 2.628 1069 A HA 0.345 4.665 4.320 0.000 0.000 0.267 1069 A C 0.482 178.047 177.584 -0.033 0.000 1.159 1069 A CA 0.111 52.115 52.037 -0.055 0.000 0.972 1069 A CB 0.912 19.857 19.000 -0.092 0.000 1.211 1069 A HN 0.427 nan 8.150 nan 0.000 0.576 1070 G N -0.452 108.337 108.800 -0.019 0.000 3.364 1070 G HA2 0.531 4.491 3.960 0.000 0.000 0.191 1070 G HA3 0.531 4.491 3.960 0.000 0.000 0.191 1070 G C -0.652 174.237 174.900 -0.020 0.000 1.352 1070 G CA -0.470 44.617 45.100 -0.021 0.000 0.758 1070 G HN 0.239 nan 8.290 nan 0.000 0.730 1071 R N 0.275 120.757 120.500 -0.030 0.000 3.146 1071 R HA 0.398 4.738 4.340 0.000 0.000 0.235 1071 R C -1.646 174.600 176.300 -0.090 0.000 1.624 1071 R CA -0.219 55.849 56.100 -0.054 0.000 0.995 1071 R CB 0.332 30.588 30.300 -0.073 0.000 1.490 1071 R HN 0.536 nan 8.270 nan 0.000 0.434 1072 T N 2.262 116.775 114.554 -0.069 0.000 2.934 1072 T HA 0.357 4.707 4.350 0.000 0.000 0.328 1072 T C -0.204 174.442 174.700 -0.090 0.000 1.068 1072 T CA -0.646 61.378 62.100 -0.127 0.000 1.018 1072 T CB 1.018 69.828 68.868 -0.097 0.000 1.009 1072 T HN 0.245 nan 8.240 nan 0.000 0.471 1073 R N 3.270 123.656 120.500 -0.190 0.000 2.309 1073 R HA 0.299 4.639 4.340 0.000 0.000 0.331 1073 R C 0.260 176.495 176.300 -0.109 0.000 1.116 1073 R CA -0.327 55.613 56.100 -0.268 0.000 0.970 1073 R CB -0.138 29.798 30.300 -0.607 0.000 1.024 1073 R HN 0.587 nan 8.270 nan 0.000 0.472 1074 V N 4.110 124.056 119.914 0.053 0.000 2.389 1074 V HA 0.290 4.410 4.120 0.000 0.000 0.264 1074 V C 0.020 176.273 176.094 0.265 0.000 1.049 1074 V CA -0.676 61.704 62.300 0.134 0.000 0.932 1074 V CB 1.009 32.899 31.823 0.111 0.000 1.011 1074 V HN 0.629 nan 8.190 nan 0.000 0.475 1075 L N 6.311 127.635 121.223 0.169 0.000 2.260 1075 L HA 0.508 4.848 4.340 0.000 0.000 0.289 1075 L C -0.363 176.509 176.870 0.003 0.000 1.057 1075 L CA -0.417 54.412 54.840 -0.019 0.000 0.811 1075 L CB 1.387 43.237 42.059 -0.348 0.000 1.184 1075 L HN 0.676 nan 8.230 nan 0.000 0.429 1076 V N 4.814 124.751 119.914 0.037 0.000 2.259 1076 V HA 0.198 4.318 4.120 0.000 0.000 0.267 1076 V C 0.158 176.271 176.094 0.032 0.000 1.051 1076 V CA -0.701 61.637 62.300 0.063 0.000 0.830 1076 V CB 0.665 32.547 31.823 0.099 0.000 1.080 1076 V HN 0.702 nan 8.190 nan 0.000 0.467 1077 E N 4.067 124.286 120.200 0.032 0.000 2.161 1077 E HA 0.139 4.489 4.350 0.000 0.000 0.263 1077 E C 0.318 176.931 176.600 0.021 0.000 1.185 1077 E CA 0.067 56.479 56.400 0.020 0.000 0.938 1077 E CB 0.673 30.382 29.700 0.014 0.000 1.023 1077 E HN 0.625 nan 8.360 nan 0.000 0.433 1078 L N 1.909 123.149 121.223 0.029 0.000 2.749 1078 L HA 0.186 4.526 4.340 0.000 0.000 0.242 1078 L C 1.501 178.409 176.870 0.065 0.000 1.103 1078 L CA 0.315 55.188 54.840 0.056 0.000 0.906 1078 L CB 0.213 42.304 42.059 0.053 0.000 1.228 1078 L HN 0.849 nan 8.230 nan 0.000 0.517 1079 G N 0.572 109.383 108.800 0.018 0.000 3.879 1079 G HA2 -0.281 3.679 3.960 0.000 0.000 0.318 1079 G HA3 -0.281 3.679 3.960 0.000 0.000 0.318 1079 G C 0.020 174.851 174.900 -0.116 0.000 1.344 1079 G CA 0.313 45.329 45.100 -0.141 0.000 1.024 1079 G HN 0.336 nan 8.290 nan 0.000 0.681 1080 H N -0.103 119.060 119.070 0.155 0.000 2.865 1080 H HA 0.743 5.299 4.556 0.000 0.000 0.372 1080 H C -0.258 175.186 175.328 0.195 0.000 1.173 1080 H CA -0.100 56.000 56.048 0.086 0.000 1.147 1080 H CB 1.588 31.347 29.762 -0.004 0.000 1.805 1080 H HN 1.073 nan 8.280 nan 0.000 0.553 1081 Y N -1.717 118.675 120.300 0.153 0.000 2.750 1081 Y HA 0.545 5.095 4.550 0.000 0.000 0.335 1081 Y C -1.372 174.546 175.900 0.031 0.000 1.252 1081 Y CA -1.341 56.819 58.100 0.100 0.000 1.064 1081 Y CB 0.265 38.779 38.460 0.090 0.000 1.321 1081 Y HN 0.407 nan 8.280 nan 0.000 0.451 1082 V N -0.044 119.977 119.914 0.179 0.000 2.732 1082 V HA 0.803 4.923 4.120 0.000 0.000 0.310 1082 V C -1.283 174.952 176.094 0.236 0.000 1.053 1082 V CA -1.070 61.251 62.300 0.035 0.000 0.957 1082 V CB 1.240 32.877 31.823 -0.310 0.000 1.018 1082 V HN 1.080 nan 8.190 nan 0.000 0.452 1083 Y N -0.402 119.856 120.300 -0.070 0.000 2.425 1083 Y HA 0.813 5.363 4.550 0.000 0.000 0.344 1083 Y C -0.282 175.583 175.900 -0.058 0.000 0.969 1083 Y CA -1.387 56.636 58.100 -0.129 0.000 1.052 1083 Y CB 1.670 39.962 38.460 -0.279 0.000 1.215 1083 Y HN 0.646 nan 8.280 nan 0.000 0.451 1084 T N 6.017 120.574 114.554 0.005 0.000 2.809 1084 T HA 0.498 4.848 4.350 0.000 0.000 0.296 1084 T C -0.554 174.043 174.700 -0.171 0.000 1.015 1084 T CA -0.561 61.520 62.100 -0.031 0.000 0.954 1084 T CB -0.088 68.821 68.868 0.068 0.000 0.950 1084 T HN 0.718 nan 8.240 nan 0.000 0.450 1085 L N 6.103 127.267 121.223 -0.098 0.000 2.426 1085 L HA 0.396 4.736 4.340 0.000 0.000 0.271 1085 L C 0.318 176.968 176.870 -0.367 0.000 1.169 1085 L CA -0.405 54.326 54.840 -0.182 0.000 0.836 1085 L CB 0.348 42.473 42.059 0.109 0.000 1.112 1085 L HN 0.579 nan 8.230 nan 0.000 0.465 1086 H N 2.391 121.390 119.070 -0.118 0.000 2.637 1086 H HA 0.413 4.969 4.556 0.000 0.000 0.363 1086 H C -1.330 173.749 175.328 -0.415 0.000 1.131 1086 H CA -0.677 55.305 56.048 -0.109 0.000 1.183 1086 H CB 1.341 31.099 29.762 -0.007 0.000 1.637 1086 H HN 0.346 nan 8.280 nan 0.000 0.531 1087 Y N 2.059 122.548 120.300 0.314 0.000 2.341 1087 Y HA 0.302 4.852 4.550 0.000 0.000 0.338 1087 Y C -0.311 175.804 175.900 0.359 0.000 0.965 1087 Y CA -0.943 57.326 58.100 0.283 0.000 1.108 1087 Y CB 1.370 39.942 38.460 0.186 0.000 1.180 1087 Y HN 0.580 nan 8.280 nan 0.000 0.458 1088 Y N -0.684 119.752 120.300 0.226 0.000 2.576 1088 Y HA 0.455 5.005 4.550 0.000 0.000 0.346 1088 Y C -0.566 175.454 175.900 0.199 0.000 1.018 1088 Y CA -1.660 56.558 58.100 0.197 0.000 1.050 1088 Y CB 1.212 39.776 38.460 0.174 0.000 1.280 1088 Y HN 0.485 nan 8.280 nan 0.000 0.474 1089 D N 5.370 126.061 120.400 0.485 0.000 2.380 1089 D HA 0.026 4.666 4.640 0.000 0.000 0.270 1089 D C -1.384 175.102 176.300 0.311 0.000 1.363 1089 D CA -1.127 53.060 54.000 0.313 0.000 1.057 1089 D CB 0.945 41.882 40.800 0.228 0.000 1.096 1089 D HN 0.527 nan 8.370 nan 0.000 0.524 1090 P HA -0.200 nan 4.420 nan 0.000 0.220 1090 P C 1.056 178.466 177.300 0.183 0.000 1.144 1090 P CA 0.855 64.068 63.100 0.187 0.000 0.800 1090 P CB 0.439 32.291 31.700 0.255 0.000 0.772 1091 Q N 0.336 120.172 119.800 0.061 0.000 2.444 1091 Q HA 0.121 4.461 4.340 0.000 0.000 0.206 1091 Q C 0.572 176.607 176.000 0.059 0.000 0.948 1091 Q CA 0.055 55.847 55.803 -0.018 0.000 0.946 1091 Q CB -0.854 27.839 28.738 -0.076 0.000 1.027 1091 Q HN 0.396 nan 8.270 nan 0.000 0.513 1092 I N -4.270 116.386 120.570 0.144 0.000 2.730 1092 I HA 0.507 4.677 4.170 0.000 0.000 0.298 1092 I C -0.377 175.853 176.117 0.188 0.000 1.089 1092 I CA -0.990 60.397 61.300 0.145 0.000 1.041 1092 I CB 2.176 40.250 38.000 0.122 0.000 1.235 1092 I HN -0.350 nan 8.210 nan 0.000 0.423 1093 S N 5.075 120.851 115.700 0.127 0.000 2.643 1093 S HA 0.290 4.760 4.470 0.000 0.000 0.329 1093 S C -0.266 174.392 174.600 0.097 0.000 1.193 1093 S CA -0.088 58.180 58.200 0.114 0.000 1.293 1093 S CB -0.905 62.342 63.200 0.078 0.000 1.205 1093 S HN 0.563 nan 8.310 nan 0.000 0.550 1094 L N 3.434 124.727 121.223 0.118 0.000 2.334 1094 L HA 0.624 4.964 4.340 0.000 0.000 0.273 1094 L C -0.674 176.273 176.870 0.129 0.000 1.013 1094 L CA -0.479 54.387 54.840 0.044 0.000 0.816 1094 L CB 1.550 43.509 42.059 -0.166 0.000 1.278 1094 L HN 0.274 nan 8.230 nan 0.000 0.431 1095 D N 2.306 122.773 120.400 0.112 0.000 2.502 1095 D HA 0.188 4.828 4.640 0.000 0.000 0.249 1095 D C 0.268 176.684 176.300 0.193 0.000 1.092 1095 D CA -0.218 53.901 54.000 0.199 0.000 0.839 1095 D CB 1.987 42.895 40.800 0.179 0.000 1.264 1095 D HN 0.656 nan 8.370 nan 0.000 0.511 1096 E N 1.716 122.112 120.200 0.326 0.000 2.409 1096 E HA -0.117 4.233 4.350 0.000 0.000 0.198 1096 E C 1.636 178.260 176.600 0.041 0.000 1.024 1096 E CA 0.389 56.907 56.400 0.196 0.000 0.861 1096 E CB 0.280 30.136 29.700 0.260 0.000 0.788 1096 E HN 0.535 nan 8.360 nan 0.000 0.521 1097 A N 1.952 124.808 122.820 0.059 0.000 1.883 1097 A HA -0.141 4.179 4.320 0.000 0.000 0.217 1097 A C -0.302 177.374 177.584 0.152 0.000 1.186 1097 A CA 1.174 53.249 52.037 0.065 0.000 0.624 1097 A CB -1.375 17.686 19.000 0.103 0.000 0.822 1097 A HN 0.156 nan 8.150 nan 0.000 0.444 1098 P HA -0.145 nan 4.420 nan 0.000 0.216 1098 P C 1.271 178.588 177.300 0.028 0.000 1.150 1098 P CA 1.084 64.233 63.100 0.082 0.000 0.837 1098 P CB -0.188 31.543 31.700 0.052 0.000 0.786 1099 I N -1.556 119.016 120.570 0.003 0.000 2.179 1099 I HA -0.224 3.946 4.170 0.000 0.000 0.242 1099 I C 2.255 178.369 176.117 -0.005 0.000 1.088 1099 I CA 1.261 62.556 61.300 -0.008 0.000 1.357 1099 I CB -0.852 37.139 38.000 -0.015 0.000 1.051 1099 I HN -0.083 nan 8.210 nan 0.000 0.409 1100 L N 0.735 121.911 121.223 -0.077 0.000 2.179 1100 L HA -0.108 4.232 4.340 0.000 0.000 0.208 1100 L C 2.434 179.114 176.870 -0.317 0.000 1.096 1100 L CA 1.581 56.328 54.840 -0.155 0.000 0.779 1100 L CB -0.620 41.271 42.059 -0.280 0.000 0.922 1100 L HN 0.269 nan 8.230 nan 0.000 0.443 1101 E N -0.127 119.822 120.200 -0.417 0.000 2.070 1101 E HA -0.304 4.046 4.350 0.000 0.000 0.197 1101 E C 1.891 178.325 176.600 -0.277 0.000 1.004 1101 E CA 1.897 57.973 56.400 -0.540 0.000 0.805 1101 E CB -0.123 29.561 29.700 -0.026 0.000 0.744 1101 E HN 0.673 nan 8.360 nan 0.000 0.451 1102 E N -0.208 119.930 120.200 -0.104 0.000 2.058 1102 E HA -0.231 4.119 4.350 0.000 0.000 0.194 1102 E C 1.651 178.226 176.600 -0.042 0.000 0.997 1102 E CA 1.443 57.816 56.400 -0.044 0.000 0.801 1102 E CB -0.402 29.302 29.700 0.007 0.000 0.746 1102 E HN 0.435 nan 8.360 nan 0.000 0.450 1103 W N 1.435 122.636 121.300 -0.165 0.000 2.318 1103 W HA -0.230 4.430 4.660 0.000 0.000 0.313 1103 W C 1.930 178.340 176.519 -0.182 0.000 1.221 1103 W CA 1.598 58.850 57.345 -0.155 0.000 1.266 1103 W CB -0.381 28.992 29.460 -0.146 0.000 1.150 1103 W HN 0.019 nan 8.180 nan 0.000 0.496 1104 L N 0.082 121.208 121.223 -0.162 0.000 2.017 1104 L HA -0.267 4.073 4.340 0.000 0.000 0.208 1104 L C 2.830 179.528 176.870 -0.286 0.000 1.073 1104 L CA 1.997 56.668 54.840 -0.282 0.000 0.745 1104 L CB -1.015 40.768 42.059 -0.459 0.000 0.894 1104 L HN 0.078 nan 8.230 nan 0.000 0.432 1105 S N -1.230 114.326 115.700 -0.241 0.000 2.414 1105 S HA -0.145 4.325 4.470 0.000 0.000 0.227 1105 S C 1.917 176.421 174.600 -0.159 0.000 1.022 1105 S CA 0.491 58.597 58.200 -0.156 0.000 0.958 1105 S CB -0.211 62.929 63.200 -0.101 0.000 0.797 1105 S HN 0.298 nan 8.310 nan 0.000 0.493 1106 K N 0.893 121.167 120.400 -0.210 0.000 2.097 1106 K HA 0.092 4.412 4.320 0.000 0.000 0.206 1106 K C 0.365 176.803 176.600 -0.270 0.000 1.049 1106 K CA 0.657 56.811 56.287 -0.221 0.000 0.933 1106 K CB -0.540 31.818 32.500 -0.237 0.000 0.717 1106 K HN 0.474 nan 8.250 nan 0.000 0.442 1107 I N 2.538 122.871 120.570 -0.395 0.000 2.906 1107 I HA -0.158 4.012 4.170 0.000 0.000 0.301 1107 I C 0.438 176.415 176.117 -0.234 0.000 1.221 1107 I CA 0.457 61.520 61.300 -0.395 0.000 1.435 1107 I CB -0.115 37.571 38.000 -0.524 0.000 1.345 1107 I HN 0.204 nan 8.210 nan 0.000 0.558 1108 N N 7.674 126.247 118.700 -0.212 0.000 2.238 1108 N HA 0.309 5.050 4.740 0.000 0.000 0.302 1108 N C -2.073 173.358 175.510 -0.133 0.000 1.072 1108 N CA -1.783 51.185 53.050 -0.138 0.000 0.792 1108 N CB 2.710 41.133 38.487 -0.108 0.000 1.425 1108 N HN 0.106 nan 8.380 nan 0.000 0.478 1109 P HA -0.128 nan 4.420 nan 0.000 0.218 1109 P C 0.223 177.446 177.300 -0.127 0.000 1.147 1109 P CA 1.390 64.441 63.100 -0.082 0.000 0.827 1109 P CB 0.298 31.971 31.700 -0.045 0.000 0.778 1110 A N -2.007 120.732 122.820 -0.134 0.000 2.470 1110 A HA 0.586 4.906 4.320 0.000 0.000 0.251 1110 A C 0.881 178.276 177.584 -0.315 0.000 1.245 1110 A CA 0.522 52.415 52.037 -0.240 0.000 0.932 1110 A CB 0.173 19.135 19.000 -0.065 0.000 1.037 1110 A HN 0.281 nan 8.150 nan 0.000 0.522 1111 G N -0.879 107.771 108.800 -0.251 0.000 2.547 1111 G HA2 0.510 4.470 3.960 0.000 0.000 0.291 1111 G HA3 0.510 4.470 3.960 0.000 0.000 0.291 1111 G C -1.573 173.105 174.900 -0.370 0.000 1.471 1111 G CA -0.548 44.360 45.100 -0.321 0.000 0.798 1111 G HN 0.110 nan 8.290 nan 0.000 0.504 1112 I N 1.732 121.973 120.570 -0.549 0.000 2.569 1112 I HA 0.476 4.646 4.170 0.000 0.000 0.296 1112 I C -2.194 173.721 176.117 -0.338 0.000 1.028 1112 I CA -2.419 58.584 61.300 -0.496 0.000 1.082 1112 I CB 3.470 41.173 38.000 -0.495 0.000 1.264 1112 I HN 0.202 nan 8.210 nan 0.000 0.429 1113 P HA 0.354 nan 4.420 nan 0.000 0.292 1113 P C -2.671 174.892 177.300 0.438 0.000 1.283 1113 P CA -2.215 60.958 63.100 0.121 0.000 0.835 1113 P CB 0.437 32.157 31.700 0.034 0.000 1.017 1114 P HA -0.095 nan 4.420 nan 0.000 0.264 1114 P C -0.029 177.494 177.300 0.371 0.000 1.173 1114 P CA 0.452 63.795 63.100 0.405 0.000 0.761 1114 P CB 0.155 32.014 31.700 0.265 0.000 0.794 1115 V N 6.631 126.651 119.914 0.177 0.000 2.493 1115 V HA 0.039 4.159 4.120 0.000 0.000 0.292 1115 V C -1.753 174.191 176.094 -0.249 0.000 1.016 1115 V CA -0.707 61.448 62.300 -0.242 0.000 1.097 1115 V CB 0.157 31.752 31.823 -0.380 0.000 0.947 1115 V HN 0.550 nan 8.190 nan 0.000 0.479 1116 P HA 0.248 nan 4.420 nan 0.000 0.280 1116 P C -0.627 176.644 177.300 -0.048 0.000 1.386 1116 P CA 0.185 63.232 63.100 -0.088 0.000 0.899 1116 P CB -0.119 31.649 31.700 0.114 0.000 1.098 1117 F N 2.526 122.270 119.950 -0.344 0.000 2.318 1117 F HA 0.211 4.738 4.527 0.000 0.000 0.356 1117 F C 0.775 176.327 175.800 -0.413 0.000 1.109 1117 F CA -1.024 56.765 58.000 -0.352 0.000 1.234 1117 F CB 0.650 39.519 39.000 -0.217 0.000 1.545 1117 F HN 0.210 nan 8.300 nan 0.000 0.534 1118 C N 5.418 124.597 119.300 -0.201 0.000 2.514 1118 C HA 0.600 5.060 4.460 0.000 0.000 0.392 1118 C C 0.086 174.990 174.990 -0.143 0.000 1.294 1118 C CA -0.436 58.536 59.018 -0.077 0.000 1.957 1118 C CB -0.400 27.374 27.740 0.058 0.000 2.541 1118 C HN 0.748 nan 8.230 nan 0.000 0.569 1119 I N 8.068 128.631 120.570 -0.012 0.000 2.619 1119 I HA 0.492 4.662 4.170 0.000 0.000 0.292 1119 I C -2.289 173.712 176.117 -0.194 0.000 1.100 1119 I CA -2.291 58.973 61.300 -0.060 0.000 1.043 1119 I CB 2.783 40.651 38.000 -0.220 0.000 1.239 1119 I HN 0.500 nan 8.210 nan 0.000 0.420 1120 P HA 0.243 nan 4.420 nan 0.000 0.275 1120 P C -0.610 176.644 177.300 -0.076 0.000 1.227 1120 P CA 0.011 62.729 63.100 -0.636 0.000 0.781 1120 P CB 0.771 32.105 31.700 -0.609 0.000 0.906 1121 I N 4.565 125.175 120.570 0.066 0.000 2.648 1121 I HA 0.078 4.248 4.170 0.000 0.000 0.284 1121 I C -1.792 174.393 176.117 0.112 0.000 1.153 1121 I CA -1.830 59.570 61.300 0.166 0.000 1.426 1121 I CB -0.479 37.632 38.000 0.185 0.000 1.381 1121 I HN 0.185 nan 8.210 nan 0.000 0.571 1122 P HA 0.059 nan 4.420 nan 0.000 0.267 1122 P C -1.001 176.348 177.300 0.081 0.000 1.205 1122 P CA -0.067 63.074 63.100 0.068 0.000 0.765 1122 P CB 0.490 32.213 31.700 0.039 0.000 0.828 1123 Q N 1.444 121.290 119.800 0.078 0.000 2.377 1123 Q HA 0.292 4.632 4.340 0.000 0.000 0.271 1123 Q C 0.293 176.285 176.000 -0.013 0.000 1.077 1123 Q CA -0.742 55.064 55.803 0.004 0.000 0.820 1123 Q CB 2.513 31.136 28.738 -0.192 0.000 1.347 1123 Q HN 0.311 nan 8.270 nan 0.000 0.444 1124 V N -0.077 119.897 119.914 0.100 0.000 3.189 1124 V HA 0.357 4.477 4.120 0.000 0.000 0.366 1124 V C -0.754 175.520 176.094 0.300 0.000 1.313 1124 V CA -0.010 62.412 62.300 0.202 0.000 1.302 1124 V CB -1.308 30.666 31.823 0.252 0.000 1.260 1124 V HN 0.651 nan 8.190 nan 0.000 0.484 1125 Y N -3.218 117.130 120.300 0.079 0.000 2.521 1125 Y HA 0.741 5.291 4.550 0.000 0.000 0.328 1125 Y C -3.345 172.580 175.900 0.041 0.000 1.151 1125 Y CA -2.818 55.315 58.100 0.054 0.000 1.054 1125 Y CB 0.735 39.212 38.460 0.029 0.000 1.338 1125 Y HN -0.096 nan 8.280 nan 0.000 0.453 1126 P HA 0.097 nan 4.420 nan 0.000 0.252 1126 P C -0.453 176.846 177.300 -0.003 0.000 1.183 1126 P CA 0.392 63.514 63.100 0.036 0.000 0.973 1126 P CB -0.316 31.427 31.700 0.071 0.000 0.990 1127 C N 3.656 122.838 119.300 -0.196 0.000 2.719 1127 C HA 0.751 5.211 4.460 0.000 0.000 0.327 1127 C C 0.890 175.695 174.990 -0.308 0.000 1.238 1127 C CA -1.471 57.372 59.018 -0.292 0.000 1.727 1127 C CB 0.178 27.580 27.740 -0.563 0.000 2.256 1127 C HN 0.602 nan 8.230 nan 0.000 0.489 1128 I N 0.821 121.264 120.570 -0.212 0.000 3.434 1128 I HA 0.393 4.563 4.170 0.000 0.000 0.212 1128 I C 0.499 176.586 176.117 -0.050 0.000 1.348 1128 I CA 0.495 61.736 61.300 -0.099 0.000 0.948 1128 I CB -0.110 37.861 38.000 -0.049 0.000 1.607 1128 I HN 0.863 nan 8.210 nan 0.000 0.907 1129 T N 0.673 115.260 114.554 0.056 0.000 2.855 1129 T HA 0.757 5.107 4.350 0.000 0.000 0.281 1129 T C -0.642 174.111 174.700 0.088 0.000 1.007 1129 T CA -0.197 61.988 62.100 0.143 0.000 1.009 1129 T CB 0.882 69.819 68.868 0.114 0.000 0.983 1129 T HN 0.949 nan 8.240 nan 0.000 0.455 1130 A N 3.996 126.892 122.820 0.127 0.000 2.430 1130 A HA 0.823 5.143 4.320 0.000 0.000 0.300 1130 A C -0.543 177.091 177.584 0.082 0.000 1.124 1130 A CA -0.903 51.194 52.037 0.099 0.000 0.766 1130 A CB 1.312 20.390 19.000 0.130 0.000 1.328 1130 A HN 0.839 nan 8.150 nan 0.000 0.424 1131 R N 0.382 120.927 120.500 0.075 0.000 2.265 1131 R HA 0.446 4.786 4.340 0.000 0.000 0.314 1131 R C -0.617 175.751 176.300 0.112 0.000 1.053 1131 R CA 0.052 56.183 56.100 0.052 0.000 0.931 1131 R CB 0.807 31.133 30.300 0.044 0.000 1.024 1131 R HN 0.604 nan 8.270 nan 0.000 0.457 1132 R N 2.734 123.274 120.500 0.066 0.000 2.352 1132 R HA 0.269 4.609 4.340 0.000 0.000 0.304 1132 R C -1.147 175.306 176.300 0.256 0.000 1.104 1132 R CA -0.501 55.701 56.100 0.170 0.000 0.991 1132 R CB 1.476 31.804 30.300 0.047 0.000 1.140 1132 R HN 0.265 nan 8.270 nan 0.000 0.540 1133 V N 3.732 123.864 119.914 0.363 0.000 2.328 1133 V HA 0.337 4.457 4.120 0.000 0.000 0.278 1133 V C 0.062 176.515 176.094 0.598 0.000 1.021 1133 V CA -0.641 61.892 62.300 0.388 0.000 0.838 1133 V CB 0.814 32.798 31.823 0.269 0.000 0.999 1133 V HN 0.747 nan 8.190 nan 0.000 0.447 1134 H N 2.794 122.079 119.070 0.358 0.000 2.771 1134 H HA 0.525 5.081 4.556 0.000 0.000 0.367 1134 H C -0.702 174.513 175.328 -0.189 0.000 1.172 1134 H CA -0.653 55.436 56.048 0.068 0.000 1.186 1134 H CB 2.533 32.024 29.762 -0.453 0.000 1.790 1134 H HN 0.532 nan 8.280 nan 0.000 0.556 1135 Y N -0.746 119.485 120.300 -0.116 0.000 2.731 1135 Y HA 0.307 4.857 4.550 0.000 0.000 0.269 1135 Y C 0.725 176.388 175.900 -0.393 0.000 1.156 1135 Y CA 0.055 58.092 58.100 -0.105 0.000 1.191 1135 Y CB 0.611 39.054 38.460 -0.028 0.000 1.382 1135 Y HN 0.588 nan 8.280 nan 0.000 0.477 1136 A N 1.139 123.607 122.820 -0.587 0.000 2.269 1136 A HA 0.622 4.942 4.320 0.000 0.000 0.302 1136 A C -1.287 175.556 177.584 -1.235 0.000 1.266 1136 A CA -0.004 51.681 52.037 -0.588 0.000 0.894 1136 A CB -0.957 17.867 19.000 -0.293 0.000 1.147 1136 A HN 0.228 nan 8.150 nan 0.000 0.537 1137 F N 0.856 120.844 119.950 0.063 0.000 2.556 1137 F HA 0.519 5.046 4.527 0.000 0.000 0.314 1137 F C 0.547 176.574 175.800 0.378 0.000 1.106 1137 F CA -0.582 57.496 58.000 0.131 0.000 0.911 1137 F CB 2.728 41.788 39.000 0.101 0.000 1.190 1137 F HN 0.442 nan 8.300 nan 0.000 0.448 1138 T N 0.346 115.216 114.554 0.527 0.000 2.823 1138 T HA 0.232 4.582 4.350 0.000 0.000 0.279 1138 T C 1.103 175.905 174.700 0.169 0.000 0.998 1138 T CA -0.142 62.207 62.100 0.415 0.000 0.994 1138 T CB 1.221 70.344 68.868 0.424 0.000 0.960 1138 T HN 0.781 nan 8.240 nan 0.000 0.448 1139 S N 3.425 119.069 115.700 -0.094 0.000 2.413 1139 S HA -0.132 4.338 4.470 0.000 0.000 0.237 1139 S C 0.407 174.877 174.600 -0.216 0.000 1.044 1139 S CA 1.089 59.015 58.200 -0.458 0.000 1.024 1139 S CB -0.437 62.517 63.200 -0.410 0.000 0.829 1139 S HN 0.801 nan 8.310 nan 0.000 0.475 1140 E N 1.029 121.201 120.200 -0.046 0.000 2.266 1140 E HA 0.450 4.800 4.350 0.000 0.000 0.268 1140 E C -1.062 175.538 176.600 -0.000 0.000 0.879 1140 E CA -0.783 55.601 56.400 -0.027 0.000 0.762 1140 E CB 0.867 30.558 29.700 -0.015 0.000 1.199 1140 E HN 0.172 nan 8.360 nan 0.000 0.422 1141 N N 2.460 121.146 118.700 -0.023 0.000 2.447 1141 N HA 0.031 4.771 4.740 0.000 0.000 0.263 1141 N C -0.226 175.253 175.510 -0.052 0.000 1.226 1141 N CA 0.300 53.334 53.050 -0.026 0.000 0.906 1141 N CB 0.489 38.957 38.487 -0.031 0.000 1.060 1141 N HN 0.444 nan 8.380 nan 0.000 0.468 1142 N N 1.248 119.911 118.700 -0.061 0.000 2.187 1142 N HA -0.036 4.704 4.740 0.000 0.000 0.212 1142 N C 0.684 176.133 175.510 -0.102 0.000 1.152 1142 N CA -0.109 52.868 53.050 -0.122 0.000 0.872 1142 N CB 0.229 38.576 38.487 -0.234 0.000 1.025 1142 N HN 0.580 nan 8.380 nan 0.000 0.514 1143 N N 1.536 120.201 118.700 -0.059 0.000 2.609 1143 N HA -0.163 4.577 4.740 0.000 0.000 0.190 1143 N C 0.668 176.165 175.510 -0.021 0.000 1.157 1143 N CA 0.682 53.716 53.050 -0.027 0.000 0.918 1143 N CB -0.276 38.196 38.487 -0.025 0.000 0.978 1143 N HN 0.352 nan 8.380 nan 0.000 0.448 1144 D N 1.028 121.402 120.400 -0.043 0.000 2.144 1144 D HA -0.187 4.453 4.640 0.000 0.000 0.199 1144 D C 1.778 178.038 176.300 -0.066 0.000 0.984 1144 D CA 1.590 55.551 54.000 -0.064 0.000 0.834 1144 D CB -0.398 40.346 40.800 -0.093 0.000 0.955 1144 D HN 0.305 nan 8.370 nan 0.000 0.465 1145 S N -0.328 115.353 115.700 -0.032 0.000 2.500 1145 S HA -0.128 4.342 4.470 0.000 0.000 0.239 1145 S C 0.876 175.498 174.600 0.036 0.000 0.989 1145 S CA -0.138 58.054 58.200 -0.013 0.000 0.951 1145 S CB -0.642 62.595 63.200 0.062 0.000 0.759 1145 S HN 0.349 nan 8.310 nan 0.000 0.523 1146 L N 2.246 123.496 121.223 0.046 0.000 2.325 1146 L HA 0.389 4.729 4.340 0.000 0.000 0.284 1146 L C 0.647 177.542 176.870 0.042 0.000 1.089 1146 L CA -0.678 54.193 54.840 0.053 0.000 0.836 1146 L CB 0.055 42.136 42.059 0.037 0.000 1.184 1146 L HN 0.238 nan 8.230 nan 0.000 0.444 1147 F N 3.790 123.708 119.950 -0.053 0.000 2.293 1147 F HA 0.258 4.785 4.527 0.000 0.000 0.297 1147 F C 0.492 176.265 175.800 -0.045 0.000 1.089 1147 F CA 0.413 58.375 58.000 -0.064 0.000 1.377 1147 F CB 0.054 39.017 39.000 -0.063 0.000 1.051 1147 F HN 0.589 nan 8.300 nan 0.000 0.511 1148 S N -0.843 114.473 115.700 -0.640 0.000 2.614 1148 S HA 0.463 4.933 4.470 0.000 0.000 0.280 1148 S C -0.697 173.695 174.600 -0.346 0.000 1.111 1148 S CA -0.438 57.401 58.200 -0.601 0.000 0.847 1148 S CB 0.932 63.592 63.200 -0.900 0.000 1.079 1148 S HN 0.548 nan 8.310 nan 0.000 0.452 1149 T N -0.489 113.929 114.554 -0.226 0.000 2.848 1149 T HA 0.704 5.054 4.350 0.000 0.000 0.285 1149 T C 0.446 175.091 174.700 -0.092 0.000 0.995 1149 T CA -0.150 61.873 62.100 -0.129 0.000 0.970 1149 T CB 0.875 69.702 68.868 -0.069 0.000 0.976 1149 T HN 0.937 nan 8.240 nan 0.000 0.441 1150 N N 1.605 120.273 118.700 -0.054 0.000 1.910 1150 N HA -0.363 4.377 4.740 0.000 0.000 0.214 1150 N C 1.666 177.185 175.510 0.015 0.000 1.113 1150 N CA 2.205 55.257 53.050 0.003 0.000 3.595 1150 N CB -1.786 36.719 38.487 0.030 0.000 0.733 1150 N HN 1.590 nan 8.380 nan 0.000 0.352 1151 A N 0.471 123.273 122.820 -0.029 0.000 1.348 1151 A HA -0.348 3.972 4.320 0.000 0.000 0.222 1151 A C 1.539 179.146 177.584 0.038 0.000 0.458 1151 A CA 4.202 56.228 52.037 -0.018 0.000 1.095 1151 A CB -2.038 16.940 19.000 -0.038 0.000 1.469 1151 A HN 1.642 nan 8.150 nan 0.000 0.721 1152 A N -0.565 122.312 122.820 0.094 0.000 2.579 1152 A HA 0.601 4.921 4.320 0.000 0.000 0.273 1152 A C 0.608 178.315 177.584 0.205 0.000 1.363 1152 A CA 1.149 53.285 52.037 0.166 0.000 0.953 1152 A CB -0.448 18.689 19.000 0.229 0.000 1.034 1152 A HN 0.974 nan 8.150 nan 0.000 0.536 1153 S N -0.917 114.834 115.700 0.085 0.000 2.566 1153 S HA 0.462 4.932 4.470 0.000 0.000 0.298 1153 S C 1.147 175.619 174.600 -0.213 0.000 1.083 1153 S CA -0.381 57.809 58.200 -0.016 0.000 0.978 1153 S CB 1.501 64.759 63.200 0.097 0.000 1.073 1153 S HN 0.490 nan 8.310 nan 0.000 0.491 1154 I N -0.873 119.374 120.570 -0.539 0.000 2.500 1154 I HA 0.280 4.450 4.170 0.000 0.000 0.252 1154 I C 0.426 176.415 176.117 -0.212 0.000 1.142 1154 I CA 0.949 61.967 61.300 -0.471 0.000 1.451 1154 I CB 0.177 37.745 38.000 -0.721 0.000 1.093 1154 I HN 0.449 nan 8.210 nan 0.000 0.430 1155 D N 0.804 121.125 120.400 -0.131 0.000 2.977 1155 D HA 0.191 4.831 4.640 0.000 0.000 0.220 1155 D C -1.252 175.052 176.300 0.007 0.000 1.267 1155 D CA -0.364 53.613 54.000 -0.040 0.000 0.884 1155 D CB 2.388 43.183 40.800 -0.009 0.000 1.667 1155 D HN -0.005 nan 8.370 nan 0.000 0.536 1156 T N 2.215 116.773 114.554 0.007 0.000 2.733 1156 T HA 0.593 4.943 4.350 0.000 0.000 0.294 1156 T C 0.616 175.325 174.700 0.014 0.000 0.956 1156 T CA -0.274 61.838 62.100 0.020 0.000 0.987 1156 T CB 1.612 70.487 68.868 0.011 0.000 0.920 1156 T HN 0.477 nan 8.240 nan 0.000 0.470 1157 A N 3.495 126.332 122.820 0.028 0.000 2.213 1157 A HA 0.533 4.853 4.320 0.000 0.000 0.220 1157 A C 0.297 177.900 177.584 0.032 0.000 2.232 1157 A CA -0.390 51.664 52.037 0.028 0.000 1.017 1157 A CB -0.403 18.625 19.000 0.046 0.000 1.372 1157 A HN 0.660 nan 8.150 nan 0.000 0.614 1158 F N 1.596 121.464 119.950 -0.136 0.000 2.543 1158 F HA 0.406 4.933 4.527 0.000 0.000 0.375 1158 F C 1.423 177.151 175.800 -0.120 0.000 1.075 1158 F CA 1.184 59.095 58.000 -0.149 0.000 1.225 1158 F CB 0.383 39.241 39.000 -0.236 0.000 1.099 1158 F HN 0.788 nan 8.300 nan 0.000 0.561 1159 G N 3.735 112.270 108.800 -0.442 0.000 2.153 1159 G HA2 -0.344 3.616 3.960 0.000 0.000 0.252 1159 G HA3 -0.344 3.616 3.960 0.000 0.000 0.252 1159 G C 0.304 175.146 174.900 -0.096 0.000 0.994 1159 G CA 0.223 45.195 45.100 -0.213 0.000 0.698 1159 G HN 0.874 nan 8.290 nan 0.000 0.521 1160 E N 0.117 120.256 120.200 -0.102 0.000 2.696 1160 E HA 0.096 4.446 4.350 0.000 0.000 0.270 1160 E C 0.559 177.131 176.600 -0.047 0.000 0.958 1160 E CA 0.747 57.112 56.400 -0.059 0.000 0.964 1160 E CB 0.122 29.781 29.700 -0.068 0.000 0.948 1160 E HN 0.552 nan 8.360 nan 0.000 0.472 1161 N N 0.747 119.428 118.700 -0.031 0.000 3.387 1161 N HA 0.555 5.295 4.740 0.000 0.000 0.322 1161 N C -1.526 173.965 175.510 -0.031 0.000 1.588 1161 N CA -0.497 52.537 53.050 -0.027 0.000 0.778 1161 N CB 1.555 40.032 38.487 -0.018 0.000 1.883 1161 N HN 0.505 nan 8.380 nan 0.000 0.628 1162 A N -0.090 122.708 122.820 -0.036 0.000 2.322 1162 A HA 0.841 5.161 4.320 0.000 0.000 0.327 1162 A C -0.350 177.193 177.584 -0.068 0.000 1.134 1162 A CA -0.281 51.731 52.037 -0.042 0.000 0.831 1162 A CB 1.116 20.095 19.000 -0.035 0.000 1.288 1162 A HN 0.683 nan 8.150 nan 0.000 0.472 1163 A N -0.207 122.572 122.820 -0.067 0.000 2.717 1163 A HA 0.710 5.030 4.320 0.000 0.000 0.262 1163 A C 0.676 178.181 177.584 -0.132 0.000 1.483 1163 A CA 0.250 52.220 52.037 -0.112 0.000 0.889 1163 A CB -0.755 18.198 19.000 -0.080 0.000 1.604 1163 A HN 2.112 nan 8.150 nan 0.000 0.523 1164 V N -1.659 118.141 119.914 -0.189 0.000 3.287 1164 V HA 0.430 4.550 4.120 0.000 0.000 0.306 1164 V C 0.585 176.671 176.094 -0.013 0.000 1.103 1164 V CA 0.236 62.459 62.300 -0.128 0.000 1.159 1164 V CB 0.861 32.573 31.823 -0.185 0.000 1.036 1164 V HN 0.907 nan 8.190 nan 0.000 0.487 1165 S N 3.733 119.451 115.700 0.029 0.000 2.404 1165 S HA 0.442 4.912 4.470 0.000 0.000 0.309 1165 S C -0.803 173.859 174.600 0.103 0.000 1.076 1165 S CA -1.220 56.978 58.200 -0.003 0.000 1.095 1165 S CB 0.927 64.057 63.200 -0.115 0.000 0.972 1165 S HN 0.858 nan 8.310 nan 0.000 0.484 1166 P HA -0.149 nan 4.420 nan 0.000 0.218 1166 P C 1.463 178.911 177.300 0.248 0.000 1.148 1166 P CA 1.038 64.445 63.100 0.512 0.000 0.822 1166 P CB -0.046 31.919 31.700 0.442 0.000 0.784 1167 L N -0.417 120.832 121.223 0.045 0.000 2.129 1167 L HA -0.168 4.172 4.340 0.000 0.000 0.212 1167 L C 2.845 179.597 176.870 -0.197 0.000 1.087 1167 L CA 1.560 56.357 54.840 -0.072 0.000 0.757 1167 L CB -1.089 40.919 42.059 -0.085 0.000 0.896 1167 L HN -0.057 nan 8.230 nan 0.000 0.434 1168 R N -0.293 119.958 120.500 -0.414 0.000 2.170 1168 R HA -0.151 4.189 4.340 0.000 0.000 0.242 1168 R C 0.377 176.278 176.300 -0.665 0.000 1.145 1168 R CA 1.244 56.859 56.100 -0.807 0.000 0.984 1168 R CB -0.237 29.132 30.300 -1.551 0.000 0.869 1168 R HN 0.488 nan 8.270 nan 0.000 0.455 1169 W N -0.576 120.755 121.300 0.051 0.000 1.380 1169 W HA 0.289 4.949 4.660 0.000 0.000 0.298 1169 W C -2.415 174.090 176.519 -0.023 0.000 0.837 1169 W CA -2.078 55.307 57.345 0.066 0.000 2.343 1169 W CB 0.258 29.800 29.460 0.136 0.000 2.070 1169 W HN -0.038 nan 8.180 nan 0.000 0.500 1170 P HA -0.216 nan 4.420 nan 0.000 0.216 1170 P C 2.043 179.246 177.300 -0.161 0.000 1.157 1170 P CA 3.068 65.956 63.100 -0.354 0.000 0.880 1170 P CB 0.000 31.097 31.700 -1.006 0.000 0.791 1171 G N -0.339 108.452 108.800 -0.015 0.000 2.421 1171 G HA2 -0.253 3.707 3.960 0.000 0.000 0.216 1171 G HA3 -0.253 3.707 3.960 0.000 0.000 0.216 1171 G C 1.524 176.510 174.900 0.144 0.000 1.171 1171 G CA 0.658 45.851 45.100 0.156 0.000 0.775 1171 G HN 0.243 nan 8.290 nan 0.000 0.543 1172 L N 0.511 121.809 121.223 0.125 0.000 2.141 1172 L HA 0.033 4.373 4.340 0.000 0.000 0.209 1172 L C 2.919 179.733 176.870 -0.093 0.000 1.094 1172 L CA 0.960 55.776 54.840 -0.039 0.000 0.763 1172 L CB -0.095 41.792 42.059 -0.286 0.000 0.908 1172 L HN 0.097 nan 8.230 nan 0.000 0.437 1173 V N -1.056 118.857 119.914 -0.002 0.000 2.244 1173 V HA -0.168 3.952 4.120 0.000 0.000 0.244 1173 V C 0.704 176.801 176.094 0.005 0.000 1.042 1173 V CA 1.723 64.001 62.300 -0.037 0.000 1.006 1173 V CB -0.470 31.412 31.823 0.098 0.000 0.641 1173 V HN 0.456 nan 8.190 nan 0.000 0.446 1174 D N 0.032 120.511 120.400 0.131 0.000 2.425 1174 D HA 0.225 4.865 4.640 0.000 0.000 0.240 1174 D C -1.884 174.528 176.300 0.187 0.000 1.080 1174 D CA -2.471 51.641 54.000 0.186 0.000 0.836 1174 D CB 2.167 43.146 40.800 0.299 0.000 1.125 1174 D HN 0.075 nan 8.370 nan 0.000 0.525 1175 P HA -0.106 nan 4.420 nan 0.000 0.225 1175 P C 0.519 177.850 177.300 0.051 0.000 1.148 1175 P CA 0.653 63.788 63.100 0.058 0.000 0.779 1175 P CB 0.442 32.152 31.700 0.017 0.000 0.780 1176 N N -0.971 117.735 118.700 0.009 0.000 2.289 1176 N HA -0.138 4.602 4.740 0.000 0.000 0.184 1176 N C 0.122 175.575 175.510 -0.095 0.000 1.016 1176 N CA 0.889 53.870 53.050 -0.115 0.000 0.872 1176 N CB -0.795 37.528 38.487 -0.273 0.000 0.973 1176 N HN 0.338 nan 8.380 nan 0.000 0.433 1177 Y N 0.429 120.752 120.300 0.040 0.000 2.454 1177 Y HA 0.309 4.859 4.550 0.000 0.000 0.345 1177 Y C -0.062 175.872 175.900 0.057 0.000 0.970 1177 Y CA -0.900 57.230 58.100 0.051 0.000 1.204 1177 Y CB 0.678 39.178 38.460 0.066 0.000 1.122 1177 Y HN -0.249 nan 8.280 nan 0.000 0.514 1178 R N 2.176 122.790 120.500 0.190 0.000 3.247 1178 R HA 0.105 4.445 4.340 0.000 0.000 0.212 1178 R C 0.149 176.537 176.300 0.147 0.000 1.604 1178 R CA -0.336 55.849 56.100 0.142 0.000 1.279 1178 R CB -0.564 29.793 30.300 0.094 0.000 1.277 1178 R HN 0.675 nan 8.270 nan 0.000 0.669 1179 V N 0.026 120.033 119.914 0.156 0.000 5.394 1179 V HA -0.152 3.968 4.120 0.000 0.000 0.136 1179 V C 0.716 176.884 176.094 0.124 0.000 0.743 1179 V CA 1.079 63.460 62.300 0.135 0.000 0.575 1179 V CB -1.326 30.575 31.823 0.130 0.000 0.172 1179 V HN 0.814 nan 8.190 nan 0.000 0.304 1180 G N 1.413 110.288 108.800 0.126 0.000 4.357 1180 G HA2 0.443 4.403 3.960 0.000 0.000 0.234 1180 G HA3 0.443 4.403 3.960 0.000 0.000 0.234 1180 G C -0.321 174.640 174.900 0.102 0.000 3.600 1180 G CA 0.040 45.209 45.100 0.116 0.000 0.615 1180 G HN 1.419 nan 8.290 nan 0.000 0.209 1181 T N -1.838 112.780 114.554 0.107 0.000 2.859 1181 T HA 0.535 4.885 4.350 0.000 0.000 0.281 1181 T C 0.038 174.786 174.700 0.081 0.000 1.005 1181 T CA -0.917 61.247 62.100 0.107 0.000 1.025 1181 T CB 2.145 71.115 68.868 0.170 0.000 0.977 1181 T HN 0.147 nan 8.240 nan 0.000 0.458 1182 N N 1.661 120.402 118.700 0.068 0.000 2.400 1182 N HA 0.128 4.868 4.740 0.000 0.000 0.267 1182 N C -0.198 175.342 175.510 0.050 0.000 1.208 1182 N CA -0.120 52.959 53.050 0.050 0.000 0.951 1182 N CB 0.224 38.733 38.487 0.036 0.000 1.227 1182 N HN 0.590 nan 8.380 nan 0.000 0.488 1183 D N 2.050 122.475 120.400 0.042 0.000 2.349 1183 D HA 0.155 4.795 4.640 0.000 0.000 0.214 1183 D C -0.183 176.132 176.300 0.024 0.000 1.063 1183 D CA 0.203 54.217 54.000 0.024 0.000 0.847 1183 D CB 0.277 41.079 40.800 0.003 0.000 0.933 1183 D HN 0.448 nan 8.370 nan 0.000 0.513 1184 L N 1.407 122.654 121.223 0.041 0.000 2.325 1184 L HA 0.389 4.729 4.340 0.000 0.000 0.279 1184 L C -1.597 175.296 176.870 0.039 0.000 1.054 1184 L CA -1.543 53.327 54.840 0.049 0.000 0.804 1184 L CB 1.323 43.431 42.059 0.081 0.000 1.200 1184 L HN -0.176 nan 8.230 nan 0.000 0.436 1185 P HA 0.132 nan 4.420 nan 0.000 0.254 1185 P C 0.330 177.634 177.300 0.008 0.000 1.494 1185 P CA 0.012 63.132 63.100 0.033 0.000 0.961 1185 P CB 0.262 31.987 31.700 0.041 0.000 1.493 1186 N N 1.017 119.716 118.700 -0.002 0.000 2.022 1186 N HA -0.133 4.607 4.740 0.000 0.000 0.194 1186 N C 0.631 176.108 175.510 -0.054 0.000 1.057 1186 N CA 1.173 54.209 53.050 -0.023 0.000 0.849 1186 N CB 0.113 38.592 38.487 -0.014 0.000 1.044 1186 N HN -0.069 nan 8.380 nan 0.000 0.424 1187 R N -0.405 120.057 120.500 -0.064 0.000 2.673 1187 R HA 0.446 4.786 4.340 0.000 0.000 0.281 1187 R C -1.734 174.499 176.300 -0.112 0.000 0.991 1187 R CA -0.479 55.553 56.100 -0.114 0.000 0.896 1187 R CB 0.961 31.183 30.300 -0.130 0.000 1.201 1187 R HN 0.098 nan 8.270 nan 0.000 0.457 1188 I N 3.893 124.361 120.570 -0.171 0.000 2.308 1188 I HA 0.190 4.360 4.170 0.000 0.000 0.293 1188 I C 0.028 176.014 176.117 -0.218 0.000 1.078 1188 I CA -0.189 61.007 61.300 -0.174 0.000 1.292 1188 I CB 1.188 39.051 38.000 -0.228 0.000 1.423 1188 I HN 0.563 nan 8.210 nan 0.000 0.493 1189 T N 6.978 121.453 114.554 -0.132 0.000 2.916 1189 T HA 0.191 4.541 4.350 0.000 0.000 0.303 1189 T C 1.075 175.736 174.700 -0.064 0.000 1.025 1189 T CA -0.146 61.886 62.100 -0.115 0.000 1.142 1189 T CB 1.105 69.959 68.868 -0.023 0.000 0.947 1189 T HN 0.450 nan 8.240 nan 0.000 0.544 1190 L N 1.836 123.020 121.223 -0.065 0.000 2.766 1190 L HA 0.389 4.729 4.340 0.000 0.000 0.242 1190 L C -0.332 176.781 176.870 0.404 0.000 1.136 1190 L CA -0.066 54.851 54.840 0.128 0.000 0.933 1190 L CB 0.244 42.273 42.059 -0.049 0.000 1.241 1190 L HN 0.671 nan 8.230 nan 0.000 0.522 1191 Y N 0.161 120.652 120.300 0.318 0.000 2.313 1191 Y HA 0.420 4.970 4.550 0.000 0.000 0.320 1191 Y C -0.864 175.145 175.900 0.182 0.000 1.171 1191 Y CA -0.904 57.361 58.100 0.277 0.000 1.093 1191 Y CB 1.290 39.950 38.460 0.333 0.000 1.224 1191 Y HN 0.030 nan 8.280 nan 0.000 0.421 1192 N N 1.397 120.072 118.700 -0.042 0.000 3.308 1192 N HA 0.290 5.030 4.740 0.000 0.000 0.276 1192 N C -1.790 173.667 175.510 -0.089 0.000 1.533 1192 N CA -0.641 52.433 53.050 0.040 0.000 0.878 1192 N CB 1.964 40.492 38.487 0.068 0.000 1.566 1192 N HN 0.340 nan 8.380 nan 0.000 0.546 1193 S N 0.931 116.596 115.700 -0.059 0.000 2.466 1193 S HA 0.229 4.699 4.470 0.000 0.000 0.286 1193 S C -0.415 174.037 174.600 -0.247 0.000 1.221 1193 S CA -0.349 57.731 58.200 -0.200 0.000 1.091 1193 S CB -0.869 62.169 63.200 -0.270 0.000 0.956 1193 S HN 0.367 nan 8.310 nan 0.000 0.501 1194 L N 6.297 127.373 121.223 -0.244 0.000 2.290 1194 L HA 0.401 4.741 4.340 0.000 0.000 0.284 1194 L C -1.084 175.622 176.870 -0.274 0.000 1.078 1194 L CA -0.737 54.006 54.840 -0.161 0.000 0.815 1194 L CB 0.489 42.508 42.059 -0.066 0.000 1.162 1194 L HN 0.683 nan 8.230 nan 0.000 0.435 1195 Y N 4.791 125.116 120.300 0.040 0.000 2.383 1195 Y HA 0.406 4.957 4.550 0.000 0.000 0.344 1195 Y C 0.138 176.002 175.900 -0.060 0.000 0.986 1195 Y CA -0.415 57.650 58.100 -0.059 0.000 1.175 1195 Y CB 0.724 39.212 38.460 0.048 0.000 1.152 1195 Y HN 0.441 nan 8.280 nan 0.000 0.511 1196 R N 3.075 123.513 120.500 -0.102 0.000 2.562 1196 R HA 0.522 4.862 4.340 0.000 0.000 0.298 1196 R C -1.563 174.704 176.300 -0.055 0.000 0.961 1196 R CA -0.961 55.156 56.100 0.029 0.000 0.881 1196 R CB 1.645 32.012 30.300 0.113 0.000 1.159 1196 R HN 0.579 nan 8.270 nan 0.000 0.450 1197 Y N 0.363 120.795 120.300 0.220 0.000 2.549 1197 Y HA 0.384 4.934 4.550 0.000 0.000 0.339 1197 Y C 0.199 176.265 175.900 0.277 0.000 1.053 1197 Y CA -1.091 57.184 58.100 0.291 0.000 1.105 1197 Y CB 1.744 40.437 38.460 0.388 0.000 1.258 1197 Y HN 0.368 nan 8.280 nan 0.000 0.478 1198 N N 2.308 121.233 118.700 0.375 0.000 2.776 1198 N HA 0.295 5.035 4.740 0.000 0.000 0.245 1198 N C -1.910 173.456 175.510 -0.239 0.000 1.121 1198 N CA -0.281 52.822 53.050 0.088 0.000 0.852 1198 N CB 0.284 38.766 38.487 -0.008 0.000 1.142 1198 N HN 0.453 nan 8.380 nan 0.000 0.514 1199 F N 0.501 120.521 119.950 0.118 0.000 2.445 1199 F HA 0.262 4.789 4.527 0.000 0.000 0.348 1199 F C 1.010 176.869 175.800 0.098 0.000 1.125 1199 F CA -0.976 57.077 58.000 0.088 0.000 0.983 1199 F CB 1.301 40.331 39.000 0.051 0.000 1.198 1199 F HN 0.029 nan 8.300 nan 0.000 0.436 1200 T N -0.592 114.048 114.554 0.144 0.000 2.907 1200 T HA 0.184 4.534 4.350 0.000 0.000 0.298 1200 T C -0.768 174.041 174.700 0.182 0.000 1.017 1200 T CA -0.319 61.870 62.100 0.149 0.000 1.118 1200 T CB 0.813 69.727 68.868 0.076 0.000 0.948 1200 T HN 0.483 nan 8.240 nan 0.000 0.531 1201 Y N 4.716 125.082 120.300 0.110 0.000 2.594 1201 Y HA 0.357 4.907 4.550 0.000 0.000 0.342 1201 Y C -1.807 174.137 175.900 0.072 0.000 1.010 1201 Y CA -2.040 56.122 58.100 0.103 0.000 1.270 1201 Y CB 0.686 39.206 38.460 0.100 0.000 1.125 1201 Y HN 0.606 nan 8.280 nan 0.000 0.513 1202 P HA 0.214 nan 4.420 nan 0.000 0.292 1202 P C -0.635 176.708 177.300 0.071 0.000 1.283 1202 P CA -0.512 62.624 63.100 0.061 0.000 0.835 1202 P CB 1.375 33.075 31.700 -0.001 0.000 1.017 1203 T N 0.200 114.795 114.554 0.068 0.000 2.903 1203 T HA 0.061 4.411 4.350 0.000 0.000 0.314 1203 T C 1.517 176.185 174.700 -0.053 0.000 1.078 1203 T CA -0.493 61.631 62.100 0.039 0.000 1.114 1203 T CB 0.246 69.123 68.868 0.016 0.000 0.987 1203 T HN 0.113 nan 8.240 nan 0.000 0.548 1204 L N 1.048 122.202 121.223 -0.114 0.000 2.093 1204 L HA 0.028 4.368 4.340 0.000 0.000 0.208 1204 L C 2.263 178.998 176.870 -0.225 0.000 1.085 1204 L CA 1.506 56.191 54.840 -0.259 0.000 0.755 1204 L CB -0.706 41.008 42.059 -0.574 0.000 0.904 1204 L HN 0.641 nan 8.230 nan 0.000 0.435 1205 D N -0.702 119.607 120.400 -0.151 0.000 2.264 1205 D HA -0.087 4.553 4.640 0.000 0.000 0.208 1205 D C 2.167 178.396 176.300 -0.118 0.000 0.966 1205 D CA 1.176 55.111 54.000 -0.109 0.000 0.864 1205 D CB -0.200 40.567 40.800 -0.056 0.000 0.933 1205 D HN 0.342 nan 8.370 nan 0.000 0.499 1206 G N 0.857 109.585 108.800 -0.121 0.000 2.459 1206 G HA2 -0.084 3.876 3.960 0.000 0.000 0.213 1206 G HA3 -0.084 3.876 3.960 0.000 0.000 0.213 1206 G C 1.644 176.412 174.900 -0.221 0.000 1.155 1206 G CA 0.523 45.529 45.100 -0.156 0.000 0.811 1206 G HN 0.366 nan 8.290 nan 0.000 0.534 1207 I N -0.894 119.581 120.570 -0.159 0.000 2.236 1207 I HA -0.035 4.135 4.170 0.000 0.000 0.249 1207 I C 1.299 177.318 176.117 -0.163 0.000 1.102 1207 I CA 1.150 62.368 61.300 -0.136 0.000 1.365 1207 I CB -0.362 37.593 38.000 -0.076 0.000 1.051 1207 I HN 0.005 nan 8.210 nan 0.000 0.420 1208 M N -0.343 119.149 119.600 -0.180 0.000 2.404 1208 M HA 0.402 4.882 4.480 0.000 0.000 0.338 1208 M C -1.060 175.089 176.300 -0.253 0.000 1.150 1208 M CA -0.799 54.426 55.300 -0.125 0.000 1.016 1208 M CB 1.613 34.195 32.600 -0.030 0.000 1.672 1208 M HN -0.105 nan 8.290 nan 0.000 0.448 1209 Y N 0.986 121.282 120.300 -0.008 0.000 2.336 1209 Y HA 0.320 4.870 4.550 0.000 0.000 0.331 1209 Y C 0.563 176.464 175.900 0.000 0.000 1.211 1209 Y CA -0.730 57.369 58.100 -0.001 0.000 1.346 1209 Y CB 0.326 38.787 38.460 0.001 0.000 1.271 1209 Y HN 0.435 nan 8.280 nan 0.000 0.538 1210 V N 1.123 121.097 119.914 0.100 0.000 2.904 1210 V HA 0.572 4.692 4.120 0.000 0.000 0.305 1210 V C -0.206 175.938 176.094 0.083 0.000 1.067 1210 V CA -1.241 61.102 62.300 0.072 0.000 1.044 1210 V CB 1.572 33.422 31.823 0.046 0.000 1.050 1210 V HN 0.838 nan 8.190 nan 0.000 0.475 1211 R N 2.027 122.565 120.500 0.063 0.000 2.363 1211 R HA 0.409 4.749 4.340 0.000 0.000 0.297 1211 R C 0.766 177.098 176.300 0.054 0.000 1.208 1211 R CA 0.047 56.180 56.100 0.056 0.000 1.121 1211 R CB 1.206 31.535 30.300 0.047 0.000 1.124 1211 R HN 1.001 nan 8.270 nan 0.000 0.561 1212 S N 1.487 117.221 115.700 0.055 0.000 2.469 1212 S HA -0.088 4.382 4.470 0.000 0.000 0.238 1212 S C 0.966 175.600 174.600 0.058 0.000 0.998 1212 S CA 0.785 59.019 58.200 0.057 0.000 0.957 1212 S CB 0.202 63.433 63.200 0.052 0.000 0.764 1212 S HN 0.623 nan 8.310 nan 0.000 0.514 1213 A N 3.053 125.905 122.820 0.052 0.000 2.805 1213 A HA 0.459 4.779 4.320 0.000 0.000 0.301 1213 A C 0.846 178.465 177.584 0.058 0.000 1.557 1213 A CA -0.537 51.532 52.037 0.053 0.000 1.254 1213 A CB -0.544 18.481 19.000 0.042 0.000 1.114 1213 A HN 0.388 nan 8.150 nan 0.000 0.553 1214 T N 0.000 114.596 114.554 0.069 0.000 3.816 1214 T HA 0.000 4.350 4.350 0.000 0.000 0.228 1214 T CA 0.000 62.145 62.100 0.075 0.000 1.349 1214 T CB 0.000 68.918 68.868 0.083 0.000 0.612 1214 T HN 0.000 nan 8.240 nan 0.000 0.658