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 3l4g_1_N DATA FIRST_RESID 1 DATA SEQUENCE MPTVSVKRDL LFQALGRTYT DEEFDELCFE FGLELDEITS EKEIISKEQG DATA SEQUENCE NVKAAGASDV VLYKIDVPAN RYDLLCLEGL VRGLQVFKER IKAPVYKRVM DATA SEQUENCE PDGKIQKLII TEETAKIRPF AVAAVLRNIK FTKDRYDSFI ELQEKLHQNI DATA SEQUENCE CRKRALVAIG THDLDTLSGP FTYTAKRPSD IKFKPLNKTK EYTACELMNI DATA SEQUENCE YKTDNHLKHY LHIIENKPLY PVIYDSNGVV LSMPPIINGD HSRITVNTRN DATA SEQUENCE IFIECTGTDF TKAKIVLDII VTMFSEYCEN QFTVEAAEVV FPNGKSHTFP DATA SEQUENCE ELAYRKEMVR ADLINKKVGI RETPENLAKL LTRMYLKSEV IGDGNQIEIE DATA SEQUENCE IPPTRADIIH ACDIVEDAAI AYGYNNIQMT LPKTYTIANQ FPLNKLTELL DATA SEQUENCE RHDMAAAGFT EALTFALCSQ EDIADKLGVD ISATKAVHIS NPKTAEFQVA DATA SEQUENCE RTTLLPGLLK TIAANRKMPL PLKLFEISDI VIKDSNTDVG AKNYRHLCAV DATA SEQUENCE YYNKNPGFEI IHGLLDRIMQ LLDVPPGEDK GGYVIKASEG PAFFPGRCAE DATA SEQUENCE IFARGQSVGK LGVLHPDVIT KFELTMPCSS LEINIGPFL 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 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.304 176.300 0.007 0.000 1.140 1 M CA 0.000 55.297 55.300 -0.005 0.000 0.988 1 M CB 0.000 32.597 32.600 -0.005 0.000 1.302 2 P HA 0.259 nan 4.420 nan 0.000 0.263 2 P C -0.579 176.740 177.300 0.031 0.000 1.195 2 P CA 0.603 63.719 63.100 0.026 0.000 0.762 2 P CB 0.891 32.611 31.700 0.034 0.000 0.799 3 T N 2.242 116.820 114.554 0.039 0.000 2.859 3 T HA 0.478 4.828 4.350 -0.000 0.000 0.281 3 T C -0.346 174.392 174.700 0.064 0.000 1.005 3 T CA -0.513 61.618 62.100 0.051 0.000 1.025 3 T CB 1.223 70.121 68.868 0.049 0.000 0.977 3 T HN -0.019 nan 8.240 nan 0.000 0.458 4 V N 2.662 122.626 119.914 0.083 0.000 2.409 4 V HA 0.368 4.488 4.120 -0.000 0.000 0.290 4 V C -0.069 176.094 176.094 0.114 0.000 1.017 4 V CA -0.738 61.619 62.300 0.095 0.000 0.841 4 V CB 1.862 33.746 31.823 0.103 0.000 1.003 4 V HN 0.987 nan 8.190 nan 0.000 0.426 5 S N 3.994 119.753 115.700 0.099 0.000 2.537 5 S HA 0.708 5.178 4.470 -0.000 0.000 0.275 5 S C -0.241 174.417 174.600 0.096 0.000 1.272 5 S CA -0.499 57.761 58.200 0.100 0.000 1.050 5 S CB 1.453 64.697 63.200 0.073 0.000 0.961 5 S HN 0.887 nan 8.310 nan 0.000 0.496 6 V N 0.972 120.941 119.914 0.093 0.000 2.808 6 V HA 0.548 4.668 4.120 -0.000 0.000 0.308 6 V C -0.833 175.243 176.094 -0.029 0.000 1.099 6 V CA -1.314 61.023 62.300 0.061 0.000 0.920 6 V CB 1.487 33.372 31.823 0.104 0.000 1.014 6 V HN 0.731 nan 8.190 nan 0.000 0.425 7 K N 3.420 123.789 120.400 -0.051 0.000 2.395 7 K HA 0.148 4.468 4.320 -0.000 0.000 0.283 7 K C 1.187 177.634 176.600 -0.255 0.000 1.068 7 K CA 0.012 56.219 56.287 -0.133 0.000 1.039 7 K CB 0.866 33.315 32.500 -0.085 0.000 0.924 7 K HN 0.783 nan 8.250 nan 0.000 0.468 8 R N 3.058 123.280 120.500 -0.464 0.000 2.148 8 R HA -0.252 4.088 4.340 -0.000 0.000 0.230 8 R C 0.832 176.641 176.300 -0.819 0.000 1.120 8 R CA 2.516 58.105 56.100 -0.853 0.000 0.902 8 R CB -0.113 29.481 30.300 -1.177 0.000 0.839 8 R HN 0.648 nan 8.270 nan 0.000 0.431 9 D N 0.640 120.651 120.400 -0.647 0.000 2.191 9 D HA -0.252 4.388 4.640 -0.000 0.000 0.195 9 D C 1.893 178.061 176.300 -0.219 0.000 1.003 9 D CA 1.347 55.093 54.000 -0.423 0.000 0.867 9 D CB -0.362 40.287 40.800 -0.253 0.000 0.926 9 D HN 0.345 nan 8.370 nan 0.000 0.450 10 L N 0.048 121.166 121.223 -0.175 0.000 2.023 10 L HA -0.075 4.265 4.340 -0.000 0.000 0.205 10 L C 2.427 179.295 176.870 -0.002 0.000 1.073 10 L CA 0.739 55.542 54.840 -0.062 0.000 0.745 10 L CB -0.207 41.827 42.059 -0.041 0.000 0.900 10 L HN 0.075 nan 8.230 nan 0.000 0.435 11 L N -0.612 120.600 121.223 -0.019 0.000 1.990 11 L HA -0.334 4.006 4.340 -0.000 0.000 0.213 11 L C 2.525 179.544 176.870 0.249 0.000 1.072 11 L CA 1.975 56.882 54.840 0.111 0.000 0.755 11 L CB -0.462 41.656 42.059 0.098 0.000 0.889 11 L HN 0.217 nan 8.230 nan 0.000 0.432 12 F N -0.335 119.562 119.950 -0.088 0.000 2.095 12 F HA -0.344 4.183 4.527 -0.000 0.000 0.298 12 F C 2.824 178.569 175.800 -0.091 0.000 1.104 12 F CA 1.355 59.286 58.000 -0.114 0.000 1.232 12 F CB -0.354 38.554 39.000 -0.152 0.000 0.987 12 F HN 0.302 nan 8.300 nan 0.000 0.475 13 Q N 0.776 120.659 119.800 0.139 0.000 2.096 13 Q HA -0.209 4.131 4.340 -0.000 0.000 0.204 13 Q C 2.305 178.341 176.000 0.060 0.000 0.982 13 Q CA 1.540 57.380 55.803 0.063 0.000 0.850 13 Q CB -0.220 28.535 28.738 0.030 0.000 0.901 13 Q HN 0.382 nan 8.270 nan 0.000 0.422 14 A N 0.632 123.501 122.820 0.081 0.000 1.908 14 A HA -0.188 4.132 4.320 -0.000 0.000 0.218 14 A C 2.013 179.647 177.584 0.084 0.000 1.181 14 A CA 1.468 53.558 52.037 0.087 0.000 0.627 14 A CB -0.719 18.345 19.000 0.106 0.000 0.818 14 A HN 0.450 nan 8.150 nan 0.000 0.445 15 L N -1.986 119.293 121.223 0.093 0.000 2.023 15 L HA 0.126 4.466 4.340 -0.000 0.000 0.205 15 L C 1.796 178.678 176.870 0.020 0.000 1.073 15 L CA 1.059 55.945 54.840 0.076 0.000 0.745 15 L CB -0.547 41.577 42.059 0.108 0.000 0.900 15 L HN 0.633 nan 8.230 nan 0.000 0.435 16 G N -0.046 108.742 108.800 -0.020 0.000 2.189 16 G HA2 -0.112 3.848 3.960 -0.000 0.000 0.113 16 G HA3 -0.112 3.848 3.960 -0.000 0.000 0.113 16 G C -0.070 174.767 174.900 -0.107 0.000 1.038 16 G CA -0.516 44.561 45.100 -0.039 0.000 0.704 16 G HN 0.252 nan 8.290 nan 0.000 0.490 17 R N -1.425 118.948 120.500 -0.211 0.000 2.741 17 R HA 0.682 5.022 4.340 -0.000 0.000 0.274 17 R C -1.362 174.622 176.300 -0.525 0.000 1.029 17 R CA -0.322 55.553 56.100 -0.375 0.000 0.880 17 R CB 1.270 31.234 30.300 -0.561 0.000 1.264 17 R HN 0.266 nan 8.270 nan 0.000 0.465 18 T N 0.624 114.858 114.554 -0.533 0.000 2.824 18 T HA 0.635 4.985 4.350 -0.000 0.000 0.282 18 T C -1.550 172.779 174.700 -0.619 0.000 0.993 18 T CA -0.379 61.453 62.100 -0.446 0.000 0.967 18 T CB 0.484 69.318 68.868 -0.057 0.000 0.960 18 T HN 0.292 nan 8.240 nan 0.000 0.441 19 Y N 2.143 121.989 120.300 -0.758 0.000 2.429 19 Y HA 0.473 5.023 4.550 -0.000 0.000 0.342 19 Y C 1.192 177.091 175.900 -0.003 0.000 1.004 19 Y CA -1.021 56.849 58.100 -0.383 0.000 1.075 19 Y CB 1.667 39.864 38.460 -0.438 0.000 1.214 19 Y HN 0.586 nan 8.280 nan 0.000 0.455 20 T N 1.264 115.967 114.554 0.249 0.000 2.856 20 T HA 0.002 4.352 4.350 -0.000 0.000 0.306 20 T C 0.398 175.261 174.700 0.271 0.000 1.062 20 T CA -0.183 62.048 62.100 0.219 0.000 1.083 20 T CB 0.400 69.349 68.868 0.136 0.000 0.984 20 T HN 0.542 nan 8.240 nan 0.000 0.542 21 D N 0.567 121.117 120.400 0.250 0.000 2.392 21 D HA 0.010 4.650 4.640 -0.000 0.000 0.228 21 D C 1.516 177.894 176.300 0.130 0.000 1.003 21 D CA 0.726 54.871 54.000 0.243 0.000 0.917 21 D CB 0.198 41.129 40.800 0.218 0.000 0.890 21 D HN 0.455 nan 8.370 nan 0.000 0.532 22 E N -0.177 120.083 120.200 0.100 0.000 2.152 22 E HA 0.061 4.411 4.350 -0.000 0.000 0.195 22 E C 1.687 178.289 176.600 0.004 0.000 0.934 22 E CA 0.285 56.704 56.400 0.030 0.000 0.869 22 E CB -0.008 29.701 29.700 0.016 0.000 0.842 22 E HN 0.190 nan 8.360 nan 0.000 0.472 23 E N -0.078 120.142 120.200 0.034 0.000 2.114 23 E HA -0.234 4.116 4.350 -0.000 0.000 0.199 23 E C 1.688 178.200 176.600 -0.146 0.000 1.008 23 E CA 1.184 57.569 56.400 -0.026 0.000 0.810 23 E CB -0.178 29.564 29.700 0.070 0.000 0.739 23 E HN 0.160 nan 8.360 nan 0.000 0.456 24 F N 1.512 121.325 119.950 -0.228 0.000 2.219 24 F HA -0.089 4.438 4.527 -0.000 0.000 0.294 24 F C 1.996 177.669 175.800 -0.211 0.000 1.086 24 F CA 1.178 58.991 58.000 -0.311 0.000 1.330 24 F CB 0.005 38.926 39.000 -0.131 0.000 1.047 24 F HN -0.131 nan 8.300 nan 0.000 0.495 25 D N 0.346 120.691 120.400 -0.093 0.000 2.221 25 D HA -0.214 4.426 4.640 -0.000 0.000 0.204 25 D C 2.012 178.219 176.300 -0.155 0.000 0.982 25 D CA 1.165 55.086 54.000 -0.132 0.000 0.857 25 D CB -0.053 40.711 40.800 -0.060 0.000 0.934 25 D HN 0.349 nan 8.370 nan 0.000 0.475 26 E N 0.044 120.144 120.200 -0.167 0.000 2.016 26 E HA -0.072 4.278 4.350 -0.000 0.000 0.190 26 E C 2.138 178.659 176.600 -0.130 0.000 0.985 26 E CA 0.320 56.635 56.400 -0.142 0.000 0.802 26 E CB -0.695 28.922 29.700 -0.140 0.000 0.762 26 E HN 0.179 nan 8.360 nan 0.000 0.448 27 L N 0.598 121.655 121.223 -0.275 0.000 2.051 27 L HA -0.257 4.083 4.340 -0.000 0.000 0.214 27 L C 2.160 178.867 176.870 -0.273 0.000 1.076 27 L CA 1.848 56.509 54.840 -0.299 0.000 0.758 27 L CB -1.083 40.651 42.059 -0.541 0.000 0.890 27 L HN 0.383 nan 8.230 nan 0.000 0.433 28 C N -0.696 118.352 119.300 -0.420 0.000 2.413 28 C HA -0.249 4.211 4.460 -0.000 0.000 0.278 28 C C 2.596 177.534 174.990 -0.087 0.000 1.224 28 C CA 1.040 59.882 59.018 -0.294 0.000 1.732 28 C CB -1.352 26.200 27.740 -0.314 0.000 2.050 28 C HN 0.624 nan 8.230 nan 0.000 0.463 29 F N 1.585 121.421 119.950 -0.190 0.000 2.063 29 F HA -0.239 4.287 4.527 -0.000 0.000 0.298 29 F C 2.489 178.204 175.800 -0.143 0.000 1.109 29 F CA 2.351 60.264 58.000 -0.145 0.000 1.212 29 F CB -0.527 38.400 39.000 -0.121 0.000 0.973 29 F HN 0.327 nan 8.300 nan 0.000 0.480 30 E N -1.367 118.924 120.200 0.151 0.000 2.267 30 E HA -0.287 4.063 4.350 -0.000 0.000 0.197 30 E C 1.311 177.902 176.600 -0.014 0.000 0.998 30 E CA 1.081 57.548 56.400 0.112 0.000 0.830 30 E CB -0.311 29.502 29.700 0.189 0.000 0.751 30 E HN 0.453 nan 8.360 nan 0.000 0.491 31 F N -0.860 118.889 119.950 -0.336 0.000 2.683 31 F HA 0.330 4.857 4.527 -0.000 0.000 0.306 31 F C 0.964 176.492 175.800 -0.454 0.000 1.102 31 F CA 0.673 58.327 58.000 -0.578 0.000 1.244 31 F CB 1.059 39.695 39.000 -0.607 0.000 1.029 31 F HN 0.076 nan 8.300 nan 0.000 0.545 32 G N 1.435 109.970 108.800 -0.441 0.000 2.159 32 G HA2 -0.284 3.676 3.960 -0.000 0.000 0.256 32 G HA3 -0.284 3.676 3.960 -0.000 0.000 0.256 32 G C 0.230 174.952 174.900 -0.296 0.000 0.977 32 G CA 0.527 45.358 45.100 -0.449 0.000 0.652 32 G HN 0.379 nan 8.290 nan 0.000 0.531 33 L N -0.706 120.405 121.223 -0.187 0.000 2.440 33 L HA 0.875 5.215 4.340 -0.000 0.000 0.262 33 L C 0.506 177.319 176.870 -0.096 0.000 1.072 33 L CA -0.908 53.872 54.840 -0.101 0.000 0.798 33 L CB 1.434 43.477 42.059 -0.026 0.000 1.307 33 L HN 0.215 nan 8.230 nan 0.000 0.475 34 E N 0.543 120.711 120.200 -0.053 0.000 2.311 34 E HA 0.237 4.587 4.350 -0.000 0.000 0.281 34 E C -1.530 175.067 176.600 -0.006 0.000 0.905 34 E CA -0.558 55.827 56.400 -0.025 0.000 0.778 34 E CB 2.077 31.768 29.700 -0.016 0.000 1.240 34 E HN 0.489 nan 8.360 nan 0.000 0.410 35 L N 5.276 126.490 121.223 -0.014 0.000 2.399 35 L HA 0.115 4.455 4.340 -0.000 0.000 0.257 35 L C 0.833 177.718 176.870 0.024 0.000 1.236 35 L CA -0.011 54.829 54.840 0.000 0.000 1.144 35 L CB -0.094 41.930 42.059 -0.058 0.000 1.379 35 L HN 0.754 nan 8.230 nan 0.000 0.414 36 D N 2.141 122.567 120.400 0.043 0.000 2.154 36 D HA -0.223 4.417 4.640 -0.000 0.000 0.190 36 D C 0.521 176.855 176.300 0.055 0.000 1.003 36 D CA 2.023 56.050 54.000 0.046 0.000 0.849 36 D CB 0.421 41.250 40.800 0.049 0.000 0.942 36 D HN 0.752 nan 8.370 nan 0.000 0.446 37 E N -1.856 118.391 120.200 0.079 0.000 2.416 37 E HA 0.455 4.805 4.350 -0.000 0.000 0.280 37 E C -1.219 175.468 176.600 0.144 0.000 1.055 37 E CA -0.840 55.615 56.400 0.091 0.000 0.825 37 E CB 0.901 30.645 29.700 0.074 0.000 1.312 37 E HN 0.054 nan 8.360 nan 0.000 0.452 38 I N 1.391 122.050 120.570 0.149 0.000 2.499 38 I HA 0.496 4.666 4.170 -0.000 0.000 0.288 38 I C -0.643 175.542 176.117 0.115 0.000 1.048 38 I CA -0.447 60.973 61.300 0.200 0.000 1.062 38 I CB 2.034 40.199 38.000 0.275 0.000 1.238 38 I HN 0.862 nan 8.210 nan 0.000 0.426 39 T N 0.763 115.365 114.554 0.080 0.000 2.671 39 T HA 0.560 4.910 4.350 -0.000 0.000 0.300 39 T C -0.651 174.053 174.700 0.008 0.000 1.238 39 T CA -0.839 61.286 62.100 0.041 0.000 1.020 39 T CB 1.899 70.790 68.868 0.040 0.000 1.503 39 T HN 0.456 nan 8.240 nan 0.000 0.497 40 S N -1.291 114.410 115.700 0.003 0.000 2.677 40 S HA 0.468 4.938 4.470 -0.000 0.000 0.304 40 S C 0.587 175.185 174.600 -0.003 0.000 1.108 40 S CA -0.573 57.620 58.200 -0.012 0.000 0.944 40 S CB 1.598 64.789 63.200 -0.015 0.000 1.127 40 S HN 0.672 nan 8.310 nan 0.000 0.511 41 E N 1.590 121.786 120.200 -0.007 0.000 2.072 41 E HA -0.093 4.257 4.350 -0.000 0.000 0.191 41 E C 0.792 177.394 176.600 0.003 0.000 0.985 41 E CA 1.057 57.457 56.400 -0.000 0.000 0.801 41 E CB -0.287 29.412 29.700 -0.002 0.000 0.750 41 E HN 0.743 nan 8.360 nan 0.000 0.452 42 K N 1.129 121.529 120.400 0.000 0.000 3.233 42 K HA 0.118 4.438 4.320 -0.000 0.000 0.283 42 K C 0.545 177.148 176.600 0.005 0.000 1.209 42 K CA 0.368 56.657 56.287 0.002 0.000 1.197 42 K CB 0.193 32.693 32.500 0.000 0.000 1.431 42 K HN -0.002 nan 8.250 nan 0.000 0.326 43 E N -0.150 120.055 120.200 0.008 0.000 3.091 43 E HA 0.044 4.394 4.350 -0.000 0.000 0.264 43 E C 1.006 177.614 176.600 0.014 0.000 1.170 43 E CA -0.140 56.267 56.400 0.012 0.000 1.898 43 E CB -0.171 29.538 29.700 0.014 0.000 2.460 43 E HN 0.212 nan 8.360 nan 0.000 1.009 44 I N 2.219 122.798 120.570 0.015 0.000 2.323 44 I HA -0.204 3.966 4.170 -0.000 0.000 0.159 44 I C 2.186 178.312 176.117 0.015 0.000 1.021 44 I CA 1.043 62.354 61.300 0.017 0.000 1.338 44 I CB -0.410 37.601 38.000 0.019 0.000 1.134 44 I HN 0.037 nan 8.210 nan 0.000 0.423 45 I N 1.129 121.707 120.570 0.013 0.000 3.055 45 I HA -0.170 4.000 4.170 -0.000 0.000 0.277 45 I C 0.769 176.892 176.117 0.010 0.000 1.306 45 I CA 0.852 62.159 61.300 0.011 0.000 1.426 45 I CB -0.759 37.248 38.000 0.011 0.000 1.081 45 I HN 0.423 nan 8.210 nan 0.000 0.502 46 S N -0.321 115.385 115.700 0.010 0.000 2.256 46 S HA 0.329 4.799 4.470 -0.000 0.000 0.210 46 S C 0.483 175.089 174.600 0.010 0.000 1.329 46 S CA -0.722 57.484 58.200 0.009 0.000 1.267 46 S CB 0.730 63.934 63.200 0.008 0.000 1.086 46 S HN 0.174 nan 8.310 nan 0.000 0.468 47 K N 1.799 122.205 120.400 0.011 0.000 2.481 47 K HA 0.202 4.522 4.320 -0.000 0.000 0.210 47 K C 0.728 177.334 176.600 0.010 0.000 1.161 47 K CA 0.290 56.584 56.287 0.011 0.000 1.023 47 K CB 0.503 33.011 32.500 0.013 0.000 0.971 47 K HN 0.462 nan 8.250 nan 0.000 0.577 48 E N -0.281 119.925 120.200 0.010 0.000 2.810 48 E HA 0.050 4.400 4.350 -0.000 0.000 0.214 48 E C -0.048 176.557 176.600 0.008 0.000 0.980 48 E CA -0.100 56.305 56.400 0.009 0.000 1.159 48 E CB 0.515 30.220 29.700 0.009 0.000 1.047 48 E HN 0.209 nan 8.360 nan 0.000 0.484 49 Q N 1.089 120.894 119.800 0.008 0.000 2.241 49 Q HA 0.265 4.605 4.340 -0.000 0.000 0.296 49 Q C 0.527 176.531 176.000 0.007 0.000 0.889 49 Q CA 0.239 56.046 55.803 0.007 0.000 1.089 49 Q CB -0.107 28.636 28.738 0.007 0.000 1.195 49 Q HN 0.398 nan 8.270 nan 0.000 0.451 50 G N 2.494 111.297 108.800 0.006 0.000 2.390 50 G HA2 -0.327 3.633 3.960 -0.000 0.000 0.299 50 G HA3 -0.327 3.633 3.960 -0.000 0.000 0.299 50 G C -0.466 174.437 174.900 0.006 0.000 1.002 50 G CA 0.599 45.703 45.100 0.006 0.000 0.979 50 G HN 0.656 nan 8.290 nan 0.000 0.513 51 N N -2.812 115.892 118.700 0.006 0.000 3.886 51 N HA -0.096 4.644 4.740 -0.000 0.000 0.294 51 N C -0.176 175.337 175.510 0.005 0.000 2.109 51 N CA 1.518 54.572 53.050 0.006 0.000 2.630 51 N CB -0.685 37.805 38.487 0.005 0.000 0.502 51 N HN 1.597 nan 8.380 nan 0.000 0.624 52 V N -0.400 119.518 119.914 0.005 0.000 2.610 52 V HA 0.520 4.640 4.120 -0.000 0.000 0.288 52 V C -0.069 176.027 176.094 0.004 0.000 1.055 52 V CA -1.029 61.274 62.300 0.005 0.000 0.902 52 V CB 1.741 33.567 31.823 0.006 0.000 1.030 52 V HN 0.379 nan 8.190 nan 0.000 0.448 53 K N 2.799 123.201 120.400 0.003 0.000 2.098 53 K HA 0.946 5.266 4.320 -0.000 0.000 0.244 53 K C 0.090 176.691 176.600 0.001 0.000 1.014 53 K CA 0.357 56.645 56.287 0.002 0.000 0.917 53 K CB 1.605 34.105 32.500 0.001 0.000 1.072 53 K HN 1.260 nan 8.250 nan 0.000 0.477 54 A N -0.010 122.810 122.820 -0.000 0.000 2.427 54 A HA 0.766 5.086 4.320 -0.000 0.000 0.298 54 A C -1.517 176.065 177.584 -0.004 0.000 1.036 54 A CA -0.543 51.493 52.037 -0.001 0.000 0.701 54 A CB 1.601 20.600 19.000 -0.001 0.000 1.250 54 A HN 0.549 nan 8.150 nan 0.000 0.412 55 A N 1.585 124.402 122.820 -0.004 0.000 2.745 55 A HA 0.776 5.096 4.320 -0.000 0.000 0.301 55 A C 0.400 177.981 177.584 -0.006 0.000 1.188 55 A CA 0.522 52.555 52.037 -0.006 0.000 0.746 55 A CB 0.114 19.111 19.000 -0.005 0.000 1.207 55 A HN 2.551 nan 8.150 nan 0.000 0.432 56 G N 0.524 109.319 108.800 -0.008 0.000 2.201 56 G HA2 0.512 4.472 3.960 -0.000 0.000 0.102 56 G HA3 0.512 4.472 3.960 -0.000 0.000 0.102 56 G C 0.311 175.205 174.900 -0.011 0.000 0.833 56 G CA 0.416 45.511 45.100 -0.008 0.000 1.207 56 G HN 1.779 nan 8.290 nan 0.000 0.435 57 A N -0.063 122.753 122.820 -0.007 0.000 2.705 57 A HA 0.731 5.051 4.320 -0.000 0.000 0.294 57 A C 0.266 177.848 177.584 -0.004 0.000 1.039 57 A CA 1.177 53.210 52.037 -0.007 0.000 1.005 57 A CB 0.095 19.094 19.000 -0.002 0.000 1.192 57 A HN 1.481 nan 8.150 nan 0.000 0.513 58 S N 0.448 116.144 115.700 -0.006 0.000 2.593 58 S HA 0.324 4.794 4.470 -0.000 0.000 0.178 58 S C -0.448 174.147 174.600 -0.008 0.000 1.114 58 S CA 0.294 58.492 58.200 -0.003 0.000 1.199 58 S CB 0.103 63.305 63.200 0.004 0.000 1.564 58 S HN 0.557 nan 8.310 nan 0.000 0.407 59 D N 0.700 121.089 120.400 -0.017 0.000 2.440 59 D HA -0.014 4.626 4.640 -0.000 0.000 0.481 59 D C 0.303 176.581 176.300 -0.036 0.000 1.095 59 D CA 0.227 54.214 54.000 -0.021 0.000 1.044 59 D CB -0.014 40.776 40.800 -0.017 0.000 1.513 59 D HN 0.320 nan 8.370 nan 0.000 0.416 60 V N 1.306 121.190 119.914 -0.050 0.000 3.747 60 V HA 0.079 4.199 4.120 -0.000 0.000 0.299 60 V C 1.150 177.187 176.094 -0.096 0.000 1.103 60 V CA -0.277 61.975 62.300 -0.080 0.000 1.154 60 V CB 0.776 32.538 31.823 -0.101 0.000 1.127 60 V HN 0.016 nan 8.190 nan 0.000 0.482 61 V N 3.102 122.927 119.914 -0.148 0.000 2.385 61 V HA 0.403 4.523 4.120 -0.000 0.000 0.269 61 V C -0.104 175.832 176.094 -0.265 0.000 1.043 61 V CA -0.167 62.025 62.300 -0.180 0.000 0.906 61 V CB 0.446 32.138 31.823 -0.218 0.000 0.995 61 V HN 0.679 nan 8.190 nan 0.000 0.467 62 L N 2.413 123.531 121.223 -0.174 0.000 2.354 62 L HA 0.759 5.099 4.340 -0.000 0.000 0.269 62 L C -1.226 175.621 176.870 -0.038 0.000 1.005 62 L CA -0.988 53.749 54.840 -0.172 0.000 0.819 62 L CB 1.667 43.688 42.059 -0.065 0.000 1.311 62 L HN 0.328 nan 8.230 nan 0.000 0.423 63 Y N 1.047 121.340 120.300 -0.011 0.000 2.304 63 Y HA 0.406 4.956 4.550 -0.000 0.000 0.328 63 Y C 0.172 176.120 175.900 0.081 0.000 1.123 63 Y CA -0.879 57.254 58.100 0.054 0.000 1.218 63 Y CB 1.376 39.890 38.460 0.091 0.000 1.207 63 Y HN 0.540 nan 8.280 nan 0.000 0.495 64 K N 4.230 124.790 120.400 0.267 0.000 2.296 64 K HA 0.441 4.761 4.320 -0.000 0.000 0.257 64 K C -1.125 175.569 176.600 0.157 0.000 1.088 64 K CA 0.094 56.481 56.287 0.168 0.000 0.980 64 K CB -0.434 32.138 32.500 0.121 0.000 1.430 64 K HN 0.571 nan 8.250 nan 0.000 0.441 65 I N 2.246 122.920 120.570 0.173 0.000 2.396 65 I HA 0.174 4.344 4.170 -0.000 0.000 0.292 65 I C 0.053 176.226 176.117 0.092 0.000 0.999 65 I CA -0.682 60.706 61.300 0.147 0.000 1.310 65 I CB 1.416 39.538 38.000 0.205 0.000 1.404 65 I HN 0.513 nan 8.210 nan 0.000 0.496 66 D N 4.717 125.151 120.400 0.057 0.000 2.177 66 D HA 0.542 5.182 4.640 -0.000 0.000 0.247 66 D C -1.048 175.259 176.300 0.012 0.000 1.063 66 D CA -0.026 53.991 54.000 0.029 0.000 0.867 66 D CB 1.551 42.357 40.800 0.011 0.000 1.168 66 D HN 0.086 nan 8.370 nan 0.000 0.445 67 V N 4.453 124.370 119.914 0.005 0.000 2.876 67 V HA 0.479 4.599 4.120 -0.000 0.000 0.312 67 V C -2.199 173.866 176.094 -0.048 0.000 1.085 67 V CA -1.676 60.615 62.300 -0.016 0.000 0.945 67 V CB 2.142 33.974 31.823 0.016 0.000 1.017 67 V HN 0.576 nan 8.190 nan 0.000 0.428 68 P HA 0.062 nan 4.420 nan 0.000 0.263 68 P C 0.340 177.569 177.300 -0.117 0.000 1.195 68 P CA 0.092 63.121 63.100 -0.119 0.000 0.762 68 P CB 1.025 32.621 31.700 -0.173 0.000 0.799 69 A N 3.396 126.164 122.820 -0.087 0.000 2.277 69 A HA -0.177 4.143 4.320 -0.000 0.000 0.208 69 A C 1.838 179.328 177.584 -0.157 0.000 1.202 69 A CA 1.092 53.092 52.037 -0.062 0.000 0.762 69 A CB -1.212 17.777 19.000 -0.018 0.000 0.770 69 A HN 0.521 nan 8.150 nan 0.000 0.487 70 N N -0.325 118.222 118.700 -0.255 0.000 2.414 70 N HA 0.032 4.772 4.740 -0.000 0.000 0.189 70 N C 0.243 175.346 175.510 -0.678 0.000 1.039 70 N CA 0.482 53.297 53.050 -0.390 0.000 0.889 70 N CB 0.030 38.364 38.487 -0.255 0.000 1.085 70 N HN 0.230 nan 8.380 nan 0.000 0.442 71 R N 0.680 120.912 120.500 -0.448 0.000 2.288 71 R HA 0.121 4.461 4.340 -0.000 0.000 0.330 71 R C 0.204 176.305 176.300 -0.331 0.000 1.069 71 R CA 0.201 56.069 56.100 -0.387 0.000 0.941 71 R CB -0.369 29.803 30.300 -0.214 0.000 0.998 71 R HN 0.455 nan 8.270 nan 0.000 0.452 72 Y N 0.314 120.569 120.300 -0.076 0.000 2.448 72 Y HA -0.063 4.487 4.550 -0.000 0.000 0.289 72 Y C 1.401 177.254 175.900 -0.078 0.000 1.114 72 Y CA 0.147 58.202 58.100 -0.075 0.000 1.235 72 Y CB 0.321 38.727 38.460 -0.090 0.000 1.045 72 Y HN 0.572 nan 8.280 nan 0.000 0.554 73 D N 0.755 121.170 120.400 0.025 0.000 2.348 73 D HA -0.060 4.580 4.640 -0.000 0.000 0.248 73 D C 0.401 176.705 176.300 0.007 0.000 1.142 73 D CA 0.721 54.701 54.000 -0.034 0.000 0.904 73 D CB -0.238 40.474 40.800 -0.147 0.000 0.901 73 D HN 0.419 nan 8.370 nan 0.000 0.523 74 L N 0.238 121.481 121.223 0.033 0.000 3.291 74 L HA 0.260 4.600 4.340 -0.000 0.000 0.307 74 L C 1.044 177.952 176.870 0.064 0.000 1.303 74 L CA -0.112 54.764 54.840 0.061 0.000 0.949 74 L CB 0.512 42.616 42.059 0.075 0.000 1.375 74 L HN -0.093 nan 8.230 nan 0.000 0.596 75 L N 0.182 121.441 121.223 0.059 0.000 2.667 75 L HA 0.221 4.561 4.340 -0.000 0.000 0.232 75 L C 0.425 177.337 176.870 0.069 0.000 1.138 75 L CA -0.098 54.780 54.840 0.064 0.000 0.921 75 L CB 0.390 42.484 42.059 0.059 0.000 1.180 75 L HN 0.509 nan 8.230 nan 0.000 0.487 76 C N -4.205 115.136 119.300 0.070 0.000 3.241 76 C HA 0.325 4.785 4.460 -0.000 0.000 0.312 76 C C 1.371 176.405 174.990 0.073 0.000 1.350 76 C CA -1.186 57.882 59.018 0.084 0.000 1.415 76 C CB 1.170 28.966 27.740 0.094 0.000 1.770 76 C HN 0.276 nan 8.230 nan 0.000 0.466 77 L N 0.903 122.179 121.223 0.089 0.000 2.046 77 L HA -0.056 4.284 4.340 -0.000 0.000 0.208 77 L C 2.479 179.379 176.870 0.050 0.000 1.077 77 L CA 2.122 57.018 54.840 0.093 0.000 0.747 77 L CB -0.318 41.806 42.059 0.109 0.000 0.896 77 L HN 0.929 nan 8.230 nan 0.000 0.432 78 E N 0.310 120.489 120.200 -0.035 0.000 2.130 78 E HA -0.196 4.154 4.350 -0.000 0.000 0.196 78 E C 1.990 178.560 176.600 -0.050 0.000 0.998 78 E CA 1.397 57.721 56.400 -0.126 0.000 0.806 78 E CB -0.728 28.695 29.700 -0.462 0.000 0.738 78 E HN 0.668 nan 8.360 nan 0.000 0.459 79 G N -0.143 108.639 108.800 -0.029 0.000 2.394 79 G HA2 -0.177 3.783 3.960 -0.000 0.000 0.214 79 G HA3 -0.177 3.783 3.960 -0.000 0.000 0.214 79 G C 1.397 176.349 174.900 0.087 0.000 1.176 79 G CA 0.331 45.449 45.100 0.030 0.000 0.786 79 G HN 0.119 nan 8.290 nan 0.000 0.533 80 L N 0.655 121.933 121.223 0.092 0.000 2.042 80 L HA -0.047 4.293 4.340 -0.000 0.000 0.210 80 L C 3.094 180.017 176.870 0.089 0.000 1.076 80 L CA 0.962 55.867 54.840 0.108 0.000 0.749 80 L CB -0.663 41.486 42.059 0.150 0.000 0.893 80 L HN 0.092 nan 8.230 nan 0.000 0.432 81 V N -0.935 119.043 119.914 0.108 0.000 2.343 81 V HA -0.286 3.834 4.120 -0.000 0.000 0.247 81 V C 2.701 178.844 176.094 0.081 0.000 1.051 81 V CA 1.784 64.150 62.300 0.109 0.000 1.036 81 V CB -0.546 31.345 31.823 0.113 0.000 0.654 81 V HN 0.394 nan 8.190 nan 0.000 0.451 82 R N 0.305 120.866 120.500 0.100 0.000 2.066 82 R HA -0.076 4.264 4.340 -0.000 0.000 0.232 82 R C 2.333 178.703 176.300 0.115 0.000 1.131 82 R CA 1.672 57.850 56.100 0.130 0.000 0.955 82 R CB -0.907 29.521 30.300 0.215 0.000 0.851 82 R HN 0.507 nan 8.270 nan 0.000 0.432 83 G N 0.689 109.594 108.800 0.175 0.000 2.480 83 G HA2 -0.250 3.710 3.960 -0.000 0.000 0.216 83 G HA3 -0.250 3.710 3.960 -0.000 0.000 0.216 83 G C 1.390 176.182 174.900 -0.179 0.000 1.200 83 G CA 0.928 46.125 45.100 0.162 0.000 0.782 83 G HN 0.252 nan 8.290 nan 0.000 0.554 84 L N -0.147 120.880 121.223 -0.327 0.000 2.079 84 L HA -0.160 4.180 4.340 -0.000 0.000 0.210 84 L C 3.020 179.830 176.870 -0.099 0.000 1.081 84 L CA 1.377 55.995 54.840 -0.370 0.000 0.752 84 L CB -0.436 41.488 42.059 -0.225 0.000 0.896 84 L HN 0.246 nan 8.230 nan 0.000 0.433 85 Q N -0.120 119.652 119.800 -0.046 0.000 2.050 85 Q HA -0.158 4.182 4.340 -0.000 0.000 0.202 85 Q C 2.150 178.115 176.000 -0.059 0.000 0.980 85 Q CA 1.705 57.497 55.803 -0.019 0.000 0.840 85 Q CB -0.179 28.561 28.738 0.004 0.000 0.898 85 Q HN 0.328 nan 8.270 nan 0.000 0.424 86 V N 0.101 119.947 119.914 -0.113 0.000 2.591 86 V HA -0.145 3.975 4.120 -0.000 0.000 0.249 86 V C 1.854 177.907 176.094 -0.069 0.000 1.053 86 V CA 1.344 63.547 62.300 -0.161 0.000 1.068 86 V CB -0.692 30.898 31.823 -0.389 0.000 0.689 86 V HN 0.363 nan 8.190 nan 0.000 0.462 87 F N 1.770 121.611 119.950 -0.181 0.000 2.202 87 F HA -0.122 4.405 4.527 -0.000 0.000 0.301 87 F C 1.856 177.610 175.800 -0.077 0.000 1.082 87 F CA 1.381 59.321 58.000 -0.100 0.000 1.313 87 F CB 0.034 38.920 39.000 -0.190 0.000 1.024 87 F HN 0.038 nan 8.300 nan 0.000 0.495 88 K N 1.538 121.821 120.400 -0.194 0.000 2.493 88 K HA 0.049 4.369 4.320 -0.000 0.000 0.207 88 K C 0.100 176.607 176.600 -0.155 0.000 1.033 88 K CA 0.554 56.694 56.287 -0.245 0.000 1.161 88 K CB -1.002 31.431 32.500 -0.112 0.000 0.873 88 K HN 0.542 nan 8.250 nan 0.000 0.491 89 E N 0.248 120.363 120.200 -0.142 0.000 2.325 89 E HA -0.297 4.053 4.350 -0.000 0.000 0.232 89 E C 0.126 176.684 176.600 -0.071 0.000 1.276 89 E CA 0.672 57.011 56.400 -0.101 0.000 0.717 89 E CB -1.645 27.995 29.700 -0.100 0.000 1.192 89 E HN 0.330 nan 8.360 nan 0.000 0.380 90 R N 0.243 120.709 120.500 -0.057 0.000 2.310 90 R HA 0.408 4.748 4.340 -0.000 0.000 0.202 90 R C 1.029 177.312 176.300 -0.027 0.000 0.933 90 R CA 0.667 56.748 56.100 -0.032 0.000 1.054 90 R CB 0.488 30.782 30.300 -0.011 0.000 0.985 90 R HN 0.428 nan 8.270 nan 0.000 0.489 91 I N -0.204 120.340 120.570 -0.042 0.000 2.908 91 I HA 0.185 4.355 4.170 -0.000 0.000 0.300 91 I C -1.609 174.468 176.117 -0.066 0.000 1.385 91 I CA -1.003 60.274 61.300 -0.038 0.000 1.004 91 I CB 2.154 40.140 38.000 -0.024 0.000 1.309 91 I HN -0.169 nan 8.210 nan 0.000 0.449 92 K N 4.663 125.028 120.400 -0.058 0.000 2.218 92 K HA 0.635 4.955 4.320 -0.000 0.000 0.276 92 K C -0.273 176.258 176.600 -0.116 0.000 1.022 92 K CA -0.269 55.971 56.287 -0.078 0.000 0.946 92 K CB 1.394 33.860 32.500 -0.056 0.000 1.000 92 K HN 0.659 nan 8.250 nan 0.000 0.468 93 A N 5.549 128.278 122.820 -0.153 0.000 2.492 93 A HA 0.246 4.566 4.320 -0.000 0.000 0.254 93 A C -2.035 175.426 177.584 -0.204 0.000 1.091 93 A CA -1.145 50.773 52.037 -0.198 0.000 0.768 93 A CB -0.347 18.525 19.000 -0.213 0.000 1.028 93 A HN 0.649 nan 8.150 nan 0.000 0.498 94 P HA 0.308 nan 4.420 nan 0.000 0.274 94 P C -0.733 176.080 177.300 -0.812 0.000 1.231 94 P CA -0.142 62.554 63.100 -0.674 0.000 0.790 94 P CB 0.962 31.837 31.700 -1.375 0.000 0.951 95 V N 2.885 122.402 119.914 -0.662 0.000 2.435 95 V HA 0.247 4.367 4.120 -0.000 0.000 0.290 95 V C -0.396 175.375 176.094 -0.538 0.000 1.030 95 V CA -0.537 61.469 62.300 -0.491 0.000 0.881 95 V CB 0.587 32.279 31.823 -0.218 0.000 0.983 95 V HN 0.383 nan 8.190 nan 0.000 0.445 96 Y N 3.237 123.594 120.300 0.095 0.000 2.385 96 Y HA 0.582 5.132 4.550 -0.000 0.000 0.341 96 Y C 0.381 176.337 175.900 0.094 0.000 0.965 96 Y CA -0.680 57.499 58.100 0.132 0.000 1.180 96 Y CB 0.892 39.456 38.460 0.174 0.000 1.139 96 Y HN 0.496 nan 8.280 nan 0.000 0.502 97 K N 3.287 123.795 120.400 0.180 0.000 2.259 97 K HA 0.631 4.951 4.320 -0.000 0.000 0.252 97 K C -0.667 176.011 176.600 0.129 0.000 0.936 97 K CA -1.296 55.049 56.287 0.097 0.000 0.810 97 K CB 1.994 34.517 32.500 0.038 0.000 1.143 97 K HN 0.591 nan 8.250 nan 0.000 0.427 98 R N -0.016 120.546 120.500 0.103 0.000 2.346 98 R HA 0.451 4.791 4.340 -0.000 0.000 0.311 98 R C -0.395 175.953 176.300 0.079 0.000 0.983 98 R CA -0.767 55.395 56.100 0.104 0.000 0.880 98 R CB 0.802 31.163 30.300 0.101 0.000 1.100 98 R HN 0.392 nan 8.270 nan 0.000 0.453 99 V N 0.032 119.996 119.914 0.083 0.000 2.994 99 V HA 0.614 4.734 4.120 -0.000 0.000 0.318 99 V C -0.042 176.095 176.094 0.073 0.000 1.085 99 V CA -1.336 61.006 62.300 0.070 0.000 0.998 99 V CB 1.890 33.754 31.823 0.068 0.000 1.063 99 V HN 0.676 nan 8.190 nan 0.000 0.447 100 M N 3.576 123.215 119.600 0.063 0.000 2.216 100 M HA 0.526 5.005 4.480 -0.000 0.000 0.356 100 M C -2.088 174.252 176.300 0.067 0.000 1.205 100 M CA -2.059 53.281 55.300 0.066 0.000 1.122 100 M CB 0.577 33.211 32.600 0.056 0.000 1.571 100 M HN 0.690 nan 8.290 nan 0.000 0.464 101 P HA 0.260 nan 4.420 nan 0.000 0.293 101 P C -0.966 176.371 177.300 0.062 0.000 1.304 101 P CA -0.386 62.758 63.100 0.072 0.000 0.767 101 P CB 0.852 32.604 31.700 0.087 0.000 1.247 102 D N -0.416 120.019 120.400 0.058 0.000 2.522 102 D HA 0.281 4.921 4.640 -0.000 0.000 0.218 102 D C 1.393 177.722 176.300 0.049 0.000 1.149 102 D CA 0.366 54.395 54.000 0.048 0.000 0.981 102 D CB -0.199 40.627 40.800 0.043 0.000 1.041 102 D HN 0.699 nan 8.370 nan 0.000 0.518 103 G N 3.083 111.913 108.800 0.050 0.000 2.779 103 G HA2 -0.395 3.565 3.960 -0.000 0.000 0.230 103 G HA3 -0.395 3.565 3.960 -0.000 0.000 0.230 103 G C 0.791 175.726 174.900 0.058 0.000 1.243 103 G CA -0.095 45.034 45.100 0.048 0.000 0.769 103 G HN 0.476 nan 8.290 nan 0.000 0.516 104 K N 1.841 122.279 120.400 0.063 0.000 2.972 104 K HA 0.186 4.506 4.320 -0.000 0.000 0.257 104 K C 0.647 177.308 176.600 0.101 0.000 1.118 104 K CA -0.178 56.155 56.287 0.077 0.000 1.142 104 K CB -0.283 32.265 32.500 0.079 0.000 1.252 104 K HN 0.375 nan 8.250 nan 0.000 0.266 105 I N 2.811 123.439 120.570 0.097 0.000 2.566 105 I HA -0.066 4.104 4.170 -0.000 0.000 0.286 105 I C 0.547 176.753 176.117 0.148 0.000 1.060 105 I CA 0.317 61.687 61.300 0.115 0.000 2.222 105 I CB -1.503 36.556 38.000 0.099 0.000 1.534 105 I HN 0.333 nan 8.210 nan 0.000 0.987 106 Q N 4.490 124.399 119.800 0.183 0.000 2.492 106 Q HA -0.104 4.236 4.340 -0.000 0.000 0.366 106 Q C 0.455 176.615 176.000 0.267 0.000 1.172 106 Q CA 1.068 57.024 55.803 0.255 0.000 1.089 106 Q CB 0.435 29.361 28.738 0.313 0.000 1.174 106 Q HN 0.656 nan 8.270 nan 0.000 0.421 107 K N 0.770 121.354 120.400 0.308 0.000 2.498 107 K HA 0.611 4.931 4.320 -0.000 0.000 0.254 107 K C -1.302 175.504 176.600 0.342 0.000 0.933 107 K CA -0.971 55.480 56.287 0.274 0.000 0.806 107 K CB 1.642 34.254 32.500 0.187 0.000 1.301 107 K HN 0.407 nan 8.250 nan 0.000 0.432 108 L N 4.380 125.767 121.223 0.272 0.000 2.349 108 L HA 0.483 4.823 4.340 -0.000 0.000 0.278 108 L C -1.417 175.546 176.870 0.155 0.000 0.996 108 L CA -0.783 54.212 54.840 0.259 0.000 0.825 108 L CB 1.468 43.664 42.059 0.227 0.000 1.243 108 L HN 0.735 nan 8.230 nan 0.000 0.412 109 I N 5.905 126.571 120.570 0.160 0.000 2.359 109 I HA 0.416 4.586 4.170 -0.000 0.000 0.294 109 I C 0.417 176.601 176.117 0.111 0.000 0.987 109 I CA -0.608 60.758 61.300 0.109 0.000 1.225 109 I CB 1.591 39.653 38.000 0.104 0.000 1.366 109 I HN 0.513 nan 8.210 nan 0.000 0.466 110 I N 5.190 125.793 120.570 0.055 0.000 2.428 110 I HA 0.356 4.526 4.170 -0.000 0.000 0.296 110 I C 0.885 177.033 176.117 0.052 0.000 0.985 110 I CA -0.301 61.042 61.300 0.072 0.000 1.260 110 I CB 1.898 39.877 38.000 -0.035 0.000 1.389 110 I HN 0.690 nan 8.210 nan 0.000 0.484 111 T N 0.230 114.790 114.554 0.010 0.000 2.870 111 T HA 0.339 4.689 4.350 -0.000 0.000 0.277 111 T C 0.750 175.449 174.700 -0.001 0.000 1.000 111 T CA -0.647 61.457 62.100 0.006 0.000 0.982 111 T CB 1.845 70.703 68.868 -0.016 0.000 1.249 111 T HN 0.452 nan 8.240 nan 0.000 0.589 112 E N 0.423 120.627 120.200 0.006 0.000 2.072 112 E HA -0.059 4.291 4.350 -0.000 0.000 0.190 112 E C 1.871 178.457 176.600 -0.025 0.000 0.982 112 E CA 1.030 57.434 56.400 0.007 0.000 0.803 112 E CB -0.317 29.393 29.700 0.016 0.000 0.755 112 E HN 0.697 nan 8.360 nan 0.000 0.453 113 E N 0.118 120.291 120.200 -0.045 0.000 2.455 113 E HA -0.103 4.247 4.350 -0.000 0.000 0.202 113 E C 1.688 178.222 176.600 -0.110 0.000 1.045 113 E CA 0.846 57.208 56.400 -0.063 0.000 0.872 113 E CB -0.305 29.357 29.700 -0.063 0.000 0.792 113 E HN 0.160 nan 8.360 nan 0.000 0.542 114 T N 0.478 114.948 114.554 -0.141 0.000 2.671 114 T HA 0.000 4.350 4.350 -0.000 0.000 0.250 114 T C 1.121 175.757 174.700 -0.106 0.000 1.068 114 T CA 0.858 62.837 62.100 -0.201 0.000 1.177 114 T CB -0.392 68.359 68.868 -0.196 0.000 0.876 114 T HN 0.264 nan 8.240 nan 0.000 0.405 115 A N 1.816 124.601 122.820 -0.058 0.000 2.888 115 A HA 0.174 4.494 4.320 -0.000 0.000 0.290 115 A C 0.878 178.427 177.584 -0.059 0.000 1.736 115 A CA 0.823 52.823 52.037 -0.062 0.000 1.244 115 A CB -0.885 18.105 19.000 -0.017 0.000 0.973 115 A HN 0.638 nan 8.150 nan 0.000 0.595 116 K N 0.142 120.500 120.400 -0.070 0.000 1.496 116 K HA -0.016 4.304 4.320 -0.000 0.000 0.103 116 K C -0.154 176.419 176.600 -0.044 0.000 2.186 116 K CA 0.513 56.772 56.287 -0.048 0.000 0.945 116 K CB -0.359 32.124 32.500 -0.030 0.000 2.369 116 K HN 0.537 nan 8.250 nan 0.000 0.325 117 I N -0.572 119.964 120.570 -0.055 0.000 4.738 117 I HA 0.185 4.355 4.170 -0.000 0.000 0.315 117 I C 0.046 176.145 176.117 -0.029 0.000 1.214 117 I CA -0.163 61.108 61.300 -0.047 0.000 1.337 117 I CB 0.660 38.624 38.000 -0.061 0.000 1.433 117 I HN -0.125 nan 8.210 nan 0.000 0.472 118 R N 0.296 120.785 120.500 -0.018 0.000 2.797 118 R HA 0.271 4.611 4.340 -0.000 0.000 0.230 118 R C -2.319 173.998 176.300 0.028 0.000 1.591 118 R CA -1.072 55.058 56.100 0.050 0.000 1.501 118 R CB 0.452 30.862 30.300 0.183 0.000 1.524 118 R HN -0.039 nan 8.270 nan 0.000 0.711 119 P HA -0.255 nan 4.420 nan 0.000 0.224 119 P C 0.094 177.279 177.300 -0.192 0.000 1.130 119 P CA 1.960 64.831 63.100 -0.383 0.000 0.976 119 P CB 0.052 31.188 31.700 -0.941 0.000 0.781 120 F N -3.664 116.431 119.950 0.241 0.000 2.611 120 F HA 0.849 5.376 4.527 -0.000 0.000 0.324 120 F C -0.325 175.451 175.800 -0.039 0.000 1.061 120 F CA -2.558 55.566 58.000 0.206 0.000 0.954 120 F CB 0.564 39.846 39.000 0.471 0.000 1.301 120 F HN -0.059 nan 8.300 nan 0.000 0.482 121 A N 0.327 123.132 122.820 -0.024 0.000 2.609 121 A HA 0.853 5.173 4.320 -0.000 0.000 0.291 121 A C -1.941 175.330 177.584 -0.522 0.000 1.096 121 A CA -0.672 51.149 52.037 -0.360 0.000 0.684 121 A CB 1.760 20.330 19.000 -0.716 0.000 1.282 121 A HN 1.640 nan 8.150 nan 0.000 0.412 122 V N -0.682 118.869 119.914 -0.606 0.000 3.120 122 V HA 0.949 5.069 4.120 -0.000 0.000 0.303 122 V C -0.532 175.201 176.094 -0.601 0.000 1.238 122 V CA 0.389 62.203 62.300 -0.810 0.000 1.008 122 V CB 1.857 32.939 31.823 -1.235 0.000 1.064 122 V HN 2.576 nan 8.190 nan 0.000 0.434 123 A N 3.299 125.805 122.820 -0.522 0.000 2.533 123 A HA 1.145 5.465 4.320 -0.000 0.000 0.293 123 A C -0.506 176.911 177.584 -0.280 0.000 1.228 123 A CA -0.194 51.561 52.037 -0.469 0.000 0.689 123 A CB 1.505 20.126 19.000 -0.631 0.000 1.303 123 A HN 2.693 nan 8.150 nan 0.000 0.444 124 A N -1.588 121.013 122.820 -0.364 0.000 2.522 124 A HA 0.669 4.989 4.320 -0.000 0.000 0.294 124 A C -1.050 176.441 177.584 -0.155 0.000 1.001 124 A CA 0.155 52.115 52.037 -0.128 0.000 0.642 124 A CB -0.073 18.918 19.000 -0.015 0.000 1.326 124 A HN 2.359 nan 8.150 nan 0.000 0.435 125 V N -1.131 118.797 119.914 0.023 0.000 2.914 125 V HA 0.925 5.045 4.120 -0.000 0.000 0.314 125 V C -0.495 175.657 176.094 0.096 0.000 1.084 125 V CA -0.790 61.557 62.300 0.079 0.000 0.963 125 V CB 1.641 33.578 31.823 0.190 0.000 1.025 125 V HN 1.629 nan 8.190 nan 0.000 0.432 126 L N 0.369 121.655 121.223 0.104 0.000 2.372 126 L HA 0.717 5.057 4.340 -0.000 0.000 0.273 126 L C -0.102 176.834 176.870 0.112 0.000 0.989 126 L CA -0.776 54.132 54.840 0.114 0.000 0.841 126 L CB 1.710 43.847 42.059 0.130 0.000 1.225 126 L HN 0.585 nan 8.230 nan 0.000 0.414 127 R N 3.310 123.873 120.500 0.104 0.000 2.442 127 R HA 0.144 4.484 4.340 -0.000 0.000 0.291 127 R C -0.152 176.200 176.300 0.088 0.000 1.069 127 R CA 0.004 56.161 56.100 0.094 0.000 1.022 127 R CB 0.438 30.789 30.300 0.085 0.000 0.976 127 R HN 0.828 nan 8.270 nan 0.000 0.443 128 N N 2.178 120.929 118.700 0.085 0.000 2.614 128 N HA -0.231 4.509 4.740 -0.000 0.000 0.276 128 N C -0.478 175.089 175.510 0.094 0.000 1.119 128 N CA 0.795 53.893 53.050 0.080 0.000 0.742 128 N CB -0.948 37.576 38.487 0.062 0.000 0.900 128 N HN 0.515 nan 8.380 nan 0.000 0.549 129 I N 0.819 121.469 120.570 0.133 0.000 2.395 129 I HA 0.093 4.263 4.170 -0.000 0.000 0.289 129 I C 1.039 177.249 176.117 0.154 0.000 1.023 129 I CA -0.417 60.975 61.300 0.152 0.000 1.350 129 I CB 0.892 39.024 38.000 0.220 0.000 1.409 129 I HN -0.160 nan 8.210 nan 0.000 0.507 130 K N 6.853 127.287 120.400 0.058 0.000 2.150 130 K HA 0.297 4.617 4.320 -0.000 0.000 0.261 130 K C -0.399 176.156 176.600 -0.076 0.000 1.127 130 K CA -0.151 56.144 56.287 0.012 0.000 0.989 130 K CB -0.006 32.475 32.500 -0.033 0.000 1.475 130 K HN 0.306 nan 8.250 nan 0.000 0.391 131 F N 0.271 120.174 119.950 -0.078 0.000 2.408 131 F HA 0.152 4.679 4.527 -0.000 0.000 0.303 131 F C 1.379 177.124 175.800 -0.092 0.000 1.268 131 F CA 0.629 58.581 58.000 -0.079 0.000 1.218 131 F CB 0.803 39.790 39.000 -0.022 0.000 1.283 131 F HN 0.191 nan 8.300 nan 0.000 0.545 132 T N -0.405 114.269 114.554 0.200 0.000 2.786 132 T HA 0.209 4.559 4.350 -0.000 0.000 0.316 132 T C 0.277 175.081 174.700 0.174 0.000 1.503 132 T CA -0.902 61.253 62.100 0.092 0.000 1.019 132 T CB 1.782 70.630 68.868 -0.033 0.000 1.415 132 T HN 0.324 nan 8.240 nan 0.000 0.496 133 K N 1.074 121.536 120.400 0.102 0.000 2.015 133 K HA -0.149 4.171 4.320 -0.000 0.000 0.216 133 K C 1.478 178.195 176.600 0.194 0.000 1.052 133 K CA 2.192 58.550 56.287 0.118 0.000 0.937 133 K CB -0.253 32.285 32.500 0.063 0.000 0.719 133 K HN 0.483 nan 8.250 nan 0.000 0.446 134 D N 0.320 120.807 120.400 0.144 0.000 2.085 134 D HA -0.066 4.574 4.640 -0.000 0.000 0.199 134 D C 2.070 178.505 176.300 0.225 0.000 0.981 134 D CA 0.903 54.996 54.000 0.156 0.000 0.834 134 D CB -0.263 40.595 40.800 0.096 0.000 0.992 134 D HN 0.161 nan 8.370 nan 0.000 0.457 135 R N -0.021 120.585 120.500 0.177 0.000 2.153 135 R HA -0.226 4.114 4.340 -0.000 0.000 0.252 135 R C 2.368 178.912 176.300 0.407 0.000 1.158 135 R CA 1.285 57.516 56.100 0.218 0.000 0.975 135 R CB -0.584 29.600 30.300 -0.193 0.000 0.871 135 R HN 0.315 nan 8.270 nan 0.000 0.450 136 Y N 2.159 122.703 120.300 0.406 0.000 2.070 136 Y HA -0.228 4.322 4.550 -0.000 0.000 0.279 136 Y C 1.988 178.116 175.900 0.380 0.000 1.134 136 Y CA 1.692 60.135 58.100 0.572 0.000 1.113 136 Y CB -0.402 38.251 38.460 0.322 0.000 0.981 136 Y HN -0.006 nan 8.280 nan 0.000 0.487 137 D N -0.650 119.910 120.400 0.266 0.000 2.172 137 D HA -0.238 4.402 4.640 -0.000 0.000 0.196 137 D C 2.333 178.700 176.300 0.111 0.000 0.999 137 D CA 1.742 55.811 54.000 0.115 0.000 0.856 137 D CB -0.451 40.455 40.800 0.177 0.000 0.934 137 D HN 0.391 nan 8.370 nan 0.000 0.453 138 S N -0.307 115.534 115.700 0.235 0.000 2.356 138 S HA -0.173 4.297 4.470 -0.000 0.000 0.223 138 S C 1.829 176.631 174.600 0.335 0.000 1.032 138 S CA 0.622 59.009 58.200 0.312 0.000 1.005 138 S CB -0.427 63.034 63.200 0.436 0.000 0.867 138 S HN 0.233 nan 8.310 nan 0.000 0.449 139 F N 1.756 121.752 119.950 0.076 0.000 2.171 139 F HA -0.034 4.493 4.527 -0.000 0.000 0.300 139 F C 1.837 177.462 175.800 -0.291 0.000 1.090 139 F CA 1.270 58.975 58.000 -0.491 0.000 1.293 139 F CB -0.132 38.465 39.000 -0.672 0.000 1.013 139 F HN 0.226 nan 8.300 nan 0.000 0.486 140 I N 0.101 120.583 120.570 -0.146 0.000 2.286 140 I HA -0.176 3.994 4.170 -0.000 0.000 0.245 140 I C 2.307 178.343 176.117 -0.134 0.000 1.104 140 I CA 1.149 62.326 61.300 -0.204 0.000 1.397 140 I CB -1.334 36.508 38.000 -0.264 0.000 1.072 140 I HN 0.158 nan 8.210 nan 0.000 0.417 141 E N 1.691 121.858 120.200 -0.055 0.000 2.023 141 E HA -0.244 4.106 4.350 -0.000 0.000 0.196 141 E C 2.318 178.903 176.600 -0.025 0.000 1.003 141 E CA 1.430 57.827 56.400 -0.005 0.000 0.809 141 E CB -0.630 29.100 29.700 0.049 0.000 0.755 141 E HN 0.404 nan 8.360 nan 0.000 0.449 142 L N 0.232 121.436 121.223 -0.032 0.000 2.051 142 L HA -0.333 4.007 4.340 -0.000 0.000 0.214 142 L C 2.582 179.363 176.870 -0.150 0.000 1.076 142 L CA 2.085 56.894 54.840 -0.052 0.000 0.758 142 L CB -0.323 41.737 42.059 0.001 0.000 0.890 142 L HN 0.337 nan 8.230 nan 0.000 0.433 143 Q N -0.577 119.069 119.800 -0.255 0.000 2.061 143 Q HA -0.257 4.083 4.340 -0.000 0.000 0.204 143 Q C 2.174 178.114 176.000 -0.100 0.000 0.984 143 Q CA 2.014 57.648 55.803 -0.282 0.000 0.846 143 Q CB 0.025 28.582 28.738 -0.301 0.000 0.902 143 Q HN 0.498 nan 8.270 nan 0.000 0.421 144 E N 0.295 120.497 120.200 0.003 0.000 2.047 144 E HA -0.179 4.171 4.350 -0.000 0.000 0.191 144 E C 1.901 178.557 176.600 0.092 0.000 0.987 144 E CA 0.949 57.413 56.400 0.107 0.000 0.799 144 E CB -0.048 29.700 29.700 0.080 0.000 0.752 144 E HN 0.112 nan 8.360 nan 0.000 0.449 145 K N 0.911 121.331 120.400 0.033 0.000 2.015 145 K HA -0.188 4.132 4.320 -0.000 0.000 0.216 145 K C 1.954 178.569 176.600 0.025 0.000 1.052 145 K CA 1.554 57.862 56.287 0.034 0.000 0.937 145 K CB -0.402 32.112 32.500 0.024 0.000 0.719 145 K HN 0.098 nan 8.250 nan 0.000 0.446 146 L N -0.896 120.304 121.223 -0.038 0.000 2.627 146 L HA 0.166 4.506 4.340 -0.000 0.000 0.233 146 L C 1.595 178.413 176.870 -0.087 0.000 1.144 146 L CA 1.062 55.853 54.840 -0.082 0.000 0.892 146 L CB -0.712 41.248 42.059 -0.164 0.000 1.039 146 L HN 0.151 nan 8.230 nan 0.000 0.442 147 H N 1.745 120.793 119.070 -0.037 0.000 2.272 147 H HA 0.106 4.662 4.556 -0.000 0.000 0.320 147 H C 0.894 176.249 175.328 0.044 0.000 1.072 147 H CA 1.702 57.743 56.048 -0.011 0.000 1.458 147 H CB -0.158 29.602 29.762 -0.005 0.000 1.456 147 H HN 0.531 nan 8.280 nan 0.000 0.551 148 Q N 1.372 121.325 119.800 0.255 0.000 2.336 148 Q HA 0.108 4.448 4.340 -0.000 0.000 0.231 148 Q C 0.180 176.229 176.000 0.082 0.000 0.900 148 Q CA 0.272 56.171 55.803 0.159 0.000 0.966 148 Q CB -0.315 28.522 28.738 0.166 0.000 1.219 148 Q HN 0.431 nan 8.270 nan 0.000 0.412 149 N N -0.883 117.859 118.700 0.070 0.000 3.085 149 N HA 0.066 4.806 4.740 -0.000 0.000 0.270 149 N C 0.682 176.211 175.510 0.031 0.000 1.319 149 N CA 0.242 53.319 53.050 0.045 0.000 1.379 149 N CB -0.166 38.352 38.487 0.052 0.000 0.903 149 N HN 0.224 nan 8.380 nan 0.000 1.080 150 I N 1.302 121.874 120.570 0.004 0.000 2.756 150 I HA 0.071 4.241 4.170 -0.000 0.000 0.262 150 I C 0.899 176.972 176.117 -0.072 0.000 1.225 150 I CA 1.262 62.530 61.300 -0.054 0.000 1.472 150 I CB -0.099 37.746 38.000 -0.259 0.000 1.094 150 I HN 0.356 nan 8.210 nan 0.000 0.454 151 C N 1.091 120.372 119.300 -0.031 0.000 2.799 151 C HA 0.377 4.837 4.460 -0.000 0.000 0.267 151 C C 1.018 176.032 174.990 0.041 0.000 1.257 151 C CA -0.352 58.667 59.018 0.002 0.000 1.702 151 C CB -1.594 26.177 27.740 0.052 0.000 1.934 151 C HN 0.538 nan 8.230 nan 0.000 0.594 152 R N 0.677 121.199 120.500 0.035 0.000 3.084 152 R HA -0.173 4.167 4.340 -0.000 0.000 0.258 152 R C -0.182 176.137 176.300 0.032 0.000 0.914 152 R CA 0.136 56.250 56.100 0.024 0.000 0.646 152 R CB -1.397 28.911 30.300 0.015 0.000 1.330 152 R HN 0.442 nan 8.270 nan 0.000 0.465 153 K N 0.622 121.055 120.400 0.056 0.000 3.278 153 K HA -0.294 4.026 4.320 -0.000 0.000 0.270 153 K C 0.520 177.240 176.600 0.200 0.000 0.955 153 K CA 1.536 57.870 56.287 0.079 0.000 0.723 153 K CB -0.922 31.450 32.500 -0.214 0.000 1.382 153 K HN 0.735 nan 8.250 nan 0.000 0.461 154 R N -3.842 116.797 120.500 0.232 0.000 3.995 154 R HA -0.387 3.953 4.340 -0.000 0.000 0.445 154 R C 1.580 177.953 176.300 0.122 0.000 0.997 154 R CA 1.344 57.562 56.100 0.197 0.000 1.513 154 R CB -2.210 28.166 30.300 0.126 0.000 2.145 154 R HN 0.521 nan 8.270 nan 0.000 0.533 155 A N 1.013 123.888 122.820 0.093 0.000 1.896 155 A HA -0.216 4.104 4.320 -0.000 0.000 0.220 155 A C 1.997 179.617 177.584 0.059 0.000 1.206 155 A CA 2.342 54.414 52.037 0.059 0.000 0.647 155 A CB -0.312 18.708 19.000 0.033 0.000 0.828 155 A HN 0.206 nan 8.150 nan 0.000 0.455 156 L N -1.886 119.373 121.223 0.059 0.000 2.130 156 L HA 0.163 4.503 4.340 -0.000 0.000 0.200 156 L C 0.458 177.364 176.870 0.061 0.000 1.075 156 L CA 0.815 55.693 54.840 0.064 0.000 0.768 156 L CB -0.395 41.695 42.059 0.052 0.000 0.933 156 L HN 0.142 nan 8.230 nan 0.000 0.451 157 V N -0.581 119.355 119.914 0.037 0.000 2.680 157 V HA 0.824 4.944 4.120 -0.000 0.000 0.309 157 V C -0.567 175.558 176.094 0.053 0.000 1.052 157 V CA -0.803 61.498 62.300 0.002 0.000 0.908 157 V CB 1.621 33.398 31.823 -0.077 0.000 1.001 157 V HN 0.120 nan 8.190 nan 0.000 0.431 158 A N 5.633 128.474 122.820 0.036 0.000 2.359 158 A HA 0.887 5.207 4.320 -0.000 0.000 0.303 158 A C -0.764 176.832 177.584 0.020 0.000 1.066 158 A CA -0.543 51.586 52.037 0.154 0.000 0.730 158 A CB 1.084 20.129 19.000 0.076 0.000 1.211 158 A HN 0.936 nan 8.150 nan 0.000 0.439 159 I N 0.327 120.908 120.570 0.018 0.000 2.412 159 I HA 0.878 5.048 4.170 -0.000 0.000 0.296 159 I C 0.195 176.254 176.117 -0.096 0.000 0.987 159 I CA -0.801 60.395 61.300 -0.173 0.000 1.180 159 I CB 2.176 39.951 38.000 -0.375 0.000 1.340 159 I HN 0.571 nan 8.210 nan 0.000 0.455 160 G N 3.441 112.127 108.800 -0.190 0.000 2.609 160 G HA2 0.598 4.558 3.960 -0.000 0.000 0.308 160 G HA3 0.598 4.558 3.960 -0.000 0.000 0.308 160 G C -0.636 173.969 174.900 -0.492 0.000 1.369 160 G CA -0.563 44.373 45.100 -0.272 0.000 0.958 160 G HN 0.781 nan 8.290 nan 0.000 0.499 161 T N 0.018 114.300 114.554 -0.454 0.000 2.771 161 T HA 0.652 5.002 4.350 -0.000 0.000 0.281 161 T C -0.593 173.859 174.700 -0.413 0.000 0.982 161 T CA -0.855 61.056 62.100 -0.315 0.000 0.978 161 T CB 1.646 70.540 68.868 0.043 0.000 0.930 161 T HN 0.517 nan 8.240 nan 0.000 0.447 162 H N 1.297 120.432 119.070 0.110 0.000 2.679 162 H HA 0.406 4.962 4.556 -0.000 0.000 0.367 162 H C -0.890 174.488 175.328 0.084 0.000 1.162 162 H CA -1.002 55.117 56.048 0.119 0.000 1.181 162 H CB 1.984 31.865 29.762 0.198 0.000 1.693 162 H HN 0.649 nan 8.280 nan 0.000 0.538 163 D N 2.622 123.121 120.400 0.165 0.000 2.483 163 D HA -0.015 4.625 4.640 -0.000 0.000 0.220 163 D C 1.130 177.474 176.300 0.074 0.000 1.173 163 D CA -0.353 53.685 54.000 0.063 0.000 0.964 163 D CB 0.185 40.982 40.800 -0.006 0.000 1.046 163 D HN 0.330 nan 8.370 nan 0.000 0.517 164 L N 3.155 124.453 121.223 0.124 0.000 2.357 164 L HA -0.169 4.171 4.340 -0.000 0.000 0.220 164 L C 1.231 178.144 176.870 0.071 0.000 1.123 164 L CA 1.621 56.536 54.840 0.125 0.000 0.782 164 L CB -0.047 42.109 42.059 0.162 0.000 0.910 164 L HN 0.301 nan 8.230 nan 0.000 0.442 165 D N -1.405 119.018 120.400 0.039 0.000 2.363 165 D HA -0.027 4.613 4.640 -0.000 0.000 0.220 165 D C 1.250 177.550 176.300 -0.001 0.000 0.994 165 D CA 1.224 55.237 54.000 0.022 0.000 0.890 165 D CB 0.061 40.870 40.800 0.015 0.000 0.906 165 D HN 0.512 nan 8.370 nan 0.000 0.530 166 T N -0.900 113.628 114.554 -0.044 0.000 3.268 166 T HA 0.471 4.821 4.350 -0.000 0.000 0.258 166 T C 0.022 174.615 174.700 -0.178 0.000 0.966 166 T CA -0.615 61.403 62.100 -0.137 0.000 0.952 166 T CB -0.703 67.985 68.868 -0.301 0.000 1.132 166 T HN -0.003 nan 8.240 nan 0.000 0.536 167 L N -3.151 118.062 121.223 -0.018 0.000 3.085 167 L HA 0.776 5.116 4.340 -0.000 0.000 0.242 167 L C -0.850 175.995 176.870 -0.043 0.000 0.985 167 L CA -0.903 53.944 54.840 0.012 0.000 1.052 167 L CB 0.299 42.368 42.059 0.017 0.000 1.495 167 L HN 0.291 nan 8.230 nan 0.000 0.409 168 S N -1.514 114.088 115.700 -0.162 0.000 2.672 168 S HA 0.973 5.443 4.470 -0.000 0.000 0.271 168 S C 0.073 174.430 174.600 -0.406 0.000 1.171 168 S CA -0.047 58.018 58.200 -0.225 0.000 0.817 168 S CB 0.864 64.005 63.200 -0.098 0.000 1.150 168 S HN 2.838 nan 8.310 nan 0.000 0.478 169 G N 0.756 109.365 108.800 -0.319 0.000 2.750 169 G HA2 0.030 3.990 3.960 -0.000 0.000 0.686 169 G HA3 0.030 3.990 3.960 -0.000 0.000 0.686 169 G C -3.077 171.519 174.900 -0.507 0.000 1.395 169 G CA -0.572 44.346 45.100 -0.302 0.000 0.918 169 G HN 0.755 nan 8.290 nan 0.000 0.594 170 P HA 0.138 nan 4.420 nan 0.000 0.261 170 P C 0.144 177.288 177.300 -0.259 0.000 1.158 170 P CA 0.651 63.664 63.100 -0.145 0.000 0.758 170 P CB 0.055 31.740 31.700 -0.025 0.000 0.763 171 F N 1.206 121.136 119.950 -0.034 0.000 2.378 171 F HA 0.469 4.996 4.527 -0.000 0.000 0.325 171 F C 1.195 177.031 175.800 0.061 0.000 1.097 171 F CA -0.023 57.969 58.000 -0.014 0.000 1.079 171 F CB 0.727 39.679 39.000 -0.079 0.000 1.240 171 F HN 0.055 nan 8.300 nan 0.000 0.519 172 T N 1.167 115.888 114.554 0.279 0.000 2.861 172 T HA 0.282 4.632 4.350 -0.000 0.000 0.287 172 T C -1.878 172.959 174.700 0.227 0.000 1.003 172 T CA -0.484 61.749 62.100 0.222 0.000 0.977 172 T CB 0.934 69.918 68.868 0.193 0.000 0.996 172 T HN 0.376 nan 8.240 nan 0.000 0.448 173 Y N 2.554 122.876 120.300 0.037 0.000 2.334 173 Y HA 0.671 5.221 4.550 -0.000 0.000 0.336 173 Y C 0.129 176.013 175.900 -0.026 0.000 0.960 173 Y CA -0.356 57.733 58.100 -0.017 0.000 1.164 173 Y CB 1.265 39.706 38.460 -0.032 0.000 1.155 173 Y HN 0.760 nan 8.280 nan 0.000 0.478 174 T N 3.428 117.716 114.554 -0.444 0.000 2.653 174 T HA 0.844 5.194 4.350 -0.000 0.000 0.306 174 T C -2.059 172.423 174.700 -0.363 0.000 1.426 174 T CA -0.115 61.746 62.100 -0.399 0.000 1.008 174 T CB 0.767 69.550 68.868 -0.142 0.000 1.692 174 T HN 0.918 nan 8.240 nan 0.000 0.483 175 A N 1.705 124.399 122.820 -0.209 0.000 2.381 175 A HA 0.820 5.140 4.320 -0.000 0.000 0.299 175 A C -0.931 176.629 177.584 -0.039 0.000 1.049 175 A CA -0.670 51.299 52.037 -0.115 0.000 0.715 175 A CB 1.262 20.201 19.000 -0.102 0.000 1.222 175 A HN 0.735 nan 8.150 nan 0.000 0.428 176 K N 0.792 121.187 120.400 -0.007 0.000 2.378 176 K HA 0.534 4.854 4.320 -0.000 0.000 0.244 176 K C -0.086 176.511 176.600 -0.005 0.000 1.039 176 K CA -1.049 55.240 56.287 0.003 0.000 0.863 176 K CB 2.011 34.521 32.500 0.017 0.000 1.326 176 K HN 0.745 nan 8.250 nan 0.000 0.460 177 R N 1.935 122.418 120.500 -0.029 0.000 2.698 177 R HA -0.013 4.327 4.340 -0.000 0.000 0.266 177 R C -1.555 174.630 176.300 -0.190 0.000 1.026 177 R CA -0.879 55.176 56.100 -0.076 0.000 1.102 177 R CB 0.317 30.582 30.300 -0.058 0.000 0.978 177 R HN 0.349 nan 8.270 nan 0.000 0.436 178 P HA -0.174 nan 4.420 nan 0.000 0.212 178 P C 0.211 177.331 177.300 -0.300 0.000 1.178 178 P CA 1.524 64.232 63.100 -0.653 0.000 0.915 178 P CB -0.202 31.011 31.700 -0.812 0.000 0.788 179 S N -0.367 115.218 115.700 -0.193 0.000 4.085 179 S HA 0.126 4.596 4.470 -0.000 0.000 0.189 179 S C 0.456 175.014 174.600 -0.070 0.000 1.392 179 S CA -0.262 57.877 58.200 -0.102 0.000 0.972 179 S CB -0.999 62.157 63.200 -0.074 0.000 1.482 179 S HN 0.148 nan 8.310 nan 0.000 0.446 180 D N 1.301 121.663 120.400 -0.064 0.000 2.848 180 D HA 0.139 4.779 4.640 -0.000 0.000 0.303 180 D C -0.546 175.756 176.300 0.002 0.000 1.665 180 D CA -0.067 53.915 54.000 -0.029 0.000 0.807 180 D CB 0.510 41.292 40.800 -0.030 0.000 1.288 180 D HN 0.711 nan 8.370 nan 0.000 0.441 181 I N -1.357 119.218 120.570 0.007 0.000 2.637 181 I HA 0.443 4.613 4.170 -0.000 0.000 0.285 181 I C -0.999 175.162 176.117 0.074 0.000 1.222 181 I CA -0.950 60.376 61.300 0.042 0.000 1.067 181 I CB 1.333 39.341 38.000 0.014 0.000 1.279 181 I HN -0.396 nan 8.210 nan 0.000 0.441 182 K N 5.018 125.469 120.400 0.086 0.000 2.154 182 K HA 0.698 5.018 4.320 -0.000 0.000 0.264 182 K C -1.196 175.554 176.600 0.249 0.000 1.008 182 K CA -0.032 56.333 56.287 0.131 0.000 0.937 182 K CB 1.250 33.796 32.500 0.077 0.000 1.002 182 K HN 0.630 nan 8.250 nan 0.000 0.469 183 F N 0.116 120.119 119.950 0.089 0.000 2.703 183 F HA 0.261 4.788 4.527 -0.000 0.000 0.308 183 F C -0.987 174.892 175.800 0.132 0.000 1.126 183 F CA -1.007 57.061 58.000 0.112 0.000 0.959 183 F CB 1.530 40.603 39.000 0.121 0.000 1.297 183 F HN 0.147 nan 8.300 nan 0.000 0.441 184 K N 5.994 126.537 120.400 0.237 0.000 2.606 184 K HA 0.323 4.643 4.320 -0.000 0.000 0.196 184 K C -2.783 173.629 176.600 -0.314 0.000 1.048 184 K CA -2.110 54.179 56.287 0.003 0.000 1.017 184 K CB 1.044 33.603 32.500 0.100 0.000 1.413 184 K HN 0.231 nan 8.250 nan 0.000 0.568 185 P HA -0.082 nan 4.420 nan 0.000 0.268 185 P C 1.421 178.603 177.300 -0.197 0.000 1.208 185 P CA -0.514 62.266 63.100 -0.533 0.000 0.777 185 P CB 0.843 32.321 31.700 -0.371 0.000 0.875 186 L N 2.489 123.628 121.223 -0.139 0.000 2.156 186 L HA -0.247 4.093 4.340 -0.000 0.000 0.248 186 L C 1.258 178.118 176.870 -0.018 0.000 1.108 186 L CA 2.088 56.901 54.840 -0.045 0.000 0.842 186 L CB -2.294 39.744 42.059 -0.035 0.000 0.950 186 L HN 0.564 nan 8.230 nan 0.000 0.441 187 N N 0.108 118.804 118.700 -0.008 0.000 3.324 187 N HA 0.109 4.849 4.740 -0.000 0.000 0.302 187 N C -0.722 174.797 175.510 0.016 0.000 1.360 187 N CA -0.101 52.956 53.050 0.012 0.000 1.190 187 N CB 0.215 38.715 38.487 0.020 0.000 1.462 187 N HN 0.183 nan 8.380 nan 0.000 0.532 188 K N -0.257 120.151 120.400 0.012 0.000 2.471 188 K HA 0.174 4.494 4.320 -0.000 0.000 0.252 188 K C 0.878 177.538 176.600 0.099 0.000 0.938 188 K CA -0.624 55.680 56.287 0.028 0.000 0.796 188 K CB 1.677 34.151 32.500 -0.044 0.000 1.161 188 K HN -0.111 nan 8.250 nan 0.000 0.425 189 T N 1.524 116.154 114.554 0.127 0.000 2.555 189 T HA -0.157 4.193 4.350 -0.000 0.000 0.264 189 T C 0.797 175.567 174.700 0.118 0.000 1.083 189 T CA 1.836 64.005 62.100 0.115 0.000 1.179 189 T CB 0.077 69.009 68.868 0.106 0.000 0.863 189 T HN 0.485 nan 8.240 nan 0.000 0.412 190 K N 0.422 120.922 120.400 0.168 0.000 2.958 190 K HA 0.367 4.687 4.320 -0.000 0.000 0.304 190 K C 0.150 176.758 176.600 0.012 0.000 0.995 190 K CA -0.352 55.919 56.287 -0.027 0.000 1.492 190 K CB 0.117 32.407 32.500 -0.350 0.000 1.842 190 K HN 0.394 nan 8.250 nan 0.000 0.725 191 E N 0.544 120.615 120.200 -0.215 0.000 2.302 191 E HA 0.202 4.552 4.350 -0.000 0.000 0.263 191 E C -1.623 174.877 176.600 -0.167 0.000 0.897 191 E CA -0.363 56.019 56.400 -0.031 0.000 0.809 191 E CB 0.623 30.317 29.700 -0.009 0.000 1.270 191 E HN 0.292 nan 8.360 nan 0.000 0.410 192 Y N 0.901 121.212 120.300 0.017 0.000 2.654 192 Y HA 0.523 5.073 4.550 -0.000 0.000 0.328 192 Y C 0.813 176.746 175.900 0.056 0.000 1.174 192 Y CA -0.935 57.169 58.100 0.006 0.000 1.293 192 Y CB 1.039 39.466 38.460 -0.055 0.000 1.464 192 Y HN 0.285 nan 8.280 nan 0.000 0.559 193 T N -0.268 114.407 114.554 0.201 0.000 2.944 193 T HA 0.504 4.854 4.350 -0.000 0.000 0.284 193 T C 1.006 175.764 174.700 0.097 0.000 1.010 193 T CA -0.078 62.092 62.100 0.116 0.000 1.025 193 T CB 1.551 70.444 68.868 0.041 0.000 1.079 193 T HN 0.762 nan 8.240 nan 0.000 0.516 194 A N 0.249 123.097 122.820 0.048 0.000 1.845 194 A HA -0.095 4.225 4.320 -0.000 0.000 0.215 194 A C 2.485 180.025 177.584 -0.074 0.000 1.195 194 A CA 1.656 53.701 52.037 0.014 0.000 0.616 194 A CB -1.325 17.613 19.000 -0.103 0.000 0.832 194 A HN 0.917 nan 8.150 nan 0.000 0.443 195 C N -0.144 119.061 119.300 -0.159 0.000 2.400 195 C HA -0.091 4.369 4.460 -0.000 0.000 0.291 195 C C 2.452 177.410 174.990 -0.054 0.000 1.372 195 C CA 1.530 60.463 59.018 -0.141 0.000 1.800 195 C CB -1.420 26.242 27.740 -0.130 0.000 1.869 195 C HN 0.754 nan 8.230 nan 0.000 0.533 196 E N -0.695 119.492 120.200 -0.022 0.000 2.166 196 E HA 0.006 4.356 4.350 -0.000 0.000 0.192 196 E C 2.155 178.708 176.600 -0.078 0.000 0.967 196 E CA 0.294 56.693 56.400 -0.003 0.000 0.840 196 E CB -0.124 29.620 29.700 0.075 0.000 0.795 196 E HN 0.653 nan 8.360 nan 0.000 0.470 197 L N 0.611 121.761 121.223 -0.122 0.000 2.027 197 L HA -0.187 4.153 4.340 -0.000 0.000 0.206 197 L C 2.653 179.354 176.870 -0.281 0.000 1.074 197 L CA 0.766 55.373 54.840 -0.389 0.000 0.745 197 L CB -0.412 41.469 42.059 -0.297 0.000 0.898 197 L HN 0.302 nan 8.230 nan 0.000 0.433 198 M N 0.613 120.207 119.600 -0.010 0.000 2.147 198 M HA -0.288 4.192 4.480 -0.000 0.000 0.253 198 M C 2.006 178.338 176.300 0.052 0.000 1.075 198 M CA 2.212 57.563 55.300 0.084 0.000 1.085 198 M CB -1.537 31.110 32.600 0.078 0.000 1.305 198 M HN 0.546 nan 8.290 nan 0.000 0.409 199 N N 1.057 119.757 118.700 0.000 0.000 2.415 199 N HA -0.065 4.675 4.740 -0.000 0.000 0.176 199 N C 1.466 176.966 175.510 -0.017 0.000 1.042 199 N CA 1.153 54.214 53.050 0.017 0.000 0.902 199 N CB -0.763 37.736 38.487 0.019 0.000 0.986 199 N HN 0.587 nan 8.380 nan 0.000 0.447 200 I N -2.966 117.530 120.570 -0.123 0.000 3.111 200 I HA 0.045 4.215 4.170 -0.000 0.000 0.272 200 I C 1.369 177.417 176.117 -0.115 0.000 1.268 200 I CA 0.507 61.700 61.300 -0.178 0.000 1.467 200 I CB -0.552 37.239 38.000 -0.349 0.000 1.087 200 I HN -0.062 nan 8.210 nan 0.000 0.467 201 Y N 0.958 121.228 120.300 -0.050 0.000 2.509 201 Y HA 0.231 4.781 4.550 -0.000 0.000 0.270 201 Y C 1.968 177.853 175.900 -0.025 0.000 1.103 201 Y CA -0.380 57.692 58.100 -0.046 0.000 1.278 201 Y CB 0.162 38.595 38.460 -0.044 0.000 1.087 201 Y HN 0.048 nan 8.280 nan 0.000 0.542 202 K N 0.090 120.578 120.400 0.146 0.000 2.520 202 K HA -0.138 4.182 4.320 -0.000 0.000 0.197 202 K C 1.531 178.163 176.600 0.053 0.000 1.044 202 K CA 1.698 58.040 56.287 0.091 0.000 0.938 202 K CB -0.259 32.294 32.500 0.088 0.000 0.767 202 K HN 0.346 nan 8.250 nan 0.000 0.481 203 T N -2.933 111.659 114.554 0.064 0.000 3.010 203 T HA 0.012 4.362 4.350 -0.000 0.000 0.257 203 T C 0.436 175.163 174.700 0.045 0.000 1.020 203 T CA -0.425 61.700 62.100 0.041 0.000 0.938 203 T CB 0.214 69.103 68.868 0.036 0.000 1.049 203 T HN -0.096 nan 8.240 nan 0.000 0.522 204 D N 2.576 123.019 120.400 0.072 0.000 2.359 204 D HA 0.131 4.771 4.640 -0.000 0.000 0.250 204 D C 0.674 176.985 176.300 0.018 0.000 1.264 204 D CA -0.107 53.929 54.000 0.060 0.000 0.911 204 D CB 0.421 41.262 40.800 0.068 0.000 1.056 204 D HN 0.118 nan 8.370 nan 0.000 0.499 205 N N 2.541 121.261 118.700 0.033 0.000 2.096 205 N HA -0.267 4.473 4.740 -0.000 0.000 0.195 205 N C 1.431 177.001 175.510 0.100 0.000 1.017 205 N CA 1.214 54.286 53.050 0.036 0.000 0.870 205 N CB -0.293 38.225 38.487 0.051 0.000 1.024 205 N HN 0.699 nan 8.380 nan 0.000 0.434 206 H N -0.086 118.994 119.070 0.016 0.000 2.276 206 H HA 0.068 4.624 4.556 -0.000 0.000 0.307 206 H C 1.571 176.988 175.328 0.148 0.000 1.061 206 H CA 0.651 56.752 56.048 0.088 0.000 1.336 206 H CB 0.179 29.958 29.762 0.028 0.000 1.396 206 H HN -0.018 nan 8.280 nan 0.000 0.503 207 L N 1.435 122.672 121.223 0.024 0.000 2.552 207 L HA -0.029 4.311 4.340 -0.000 0.000 0.227 207 L C 2.261 179.133 176.870 0.002 0.000 1.146 207 L CA 0.728 55.543 54.840 -0.041 0.000 0.858 207 L CB -0.338 41.462 42.059 -0.432 0.000 0.969 207 L HN 0.241 nan 8.230 nan 0.000 0.451 208 K N -0.632 119.704 120.400 -0.107 0.000 2.242 208 K HA -0.248 4.072 4.320 -0.000 0.000 0.206 208 K C 1.751 178.202 176.600 -0.249 0.000 1.045 208 K CA 1.489 57.649 56.287 -0.212 0.000 0.930 208 K CB 0.021 32.308 32.500 -0.356 0.000 0.726 208 K HN 0.485 nan 8.250 nan 0.000 0.462 209 H N -1.252 117.838 119.070 0.034 0.000 2.273 209 H HA -0.046 4.510 4.556 -0.000 0.000 0.317 209 H C 2.049 177.336 175.328 -0.068 0.000 1.062 209 H CA 1.484 57.487 56.048 -0.075 0.000 1.419 209 H CB -1.062 28.552 29.762 -0.248 0.000 1.442 209 H HN 0.163 nan 8.280 nan 0.000 0.542 210 Y N 2.620 122.975 120.300 0.092 0.000 2.073 210 Y HA -0.335 4.215 4.550 -0.000 0.000 0.270 210 Y C 2.842 178.732 175.900 -0.017 0.000 1.226 210 Y CA 1.681 59.778 58.100 -0.006 0.000 1.117 210 Y CB -1.118 37.283 38.460 -0.099 0.000 0.939 210 Y HN 0.181 nan 8.280 nan 0.000 0.504 211 L N -1.486 119.822 121.223 0.142 0.000 1.924 211 L HA -0.301 4.039 4.340 -0.000 0.000 0.237 211 L C 2.299 179.205 176.870 0.059 0.000 1.090 211 L CA 1.979 56.860 54.840 0.068 0.000 0.829 211 L CB -1.341 40.760 42.059 0.070 0.000 0.903 211 L HN 0.194 nan 8.230 nan 0.000 0.430 212 H N 0.443 119.540 119.070 0.044 0.000 2.431 212 H HA -0.108 4.448 4.556 -0.000 0.000 0.297 212 H C 2.344 177.680 175.328 0.013 0.000 1.115 212 H CA 2.273 58.339 56.048 0.030 0.000 1.277 212 H CB -0.363 29.422 29.762 0.037 0.000 1.372 212 H HN 0.487 nan 8.280 nan 0.000 0.516 213 I N 0.257 120.915 120.570 0.147 0.000 2.953 213 I HA -0.223 3.947 4.170 -0.000 0.000 0.271 213 I C 1.404 177.552 176.117 0.053 0.000 1.286 213 I CA 1.021 62.366 61.300 0.076 0.000 1.449 213 I CB -0.027 37.993 38.000 0.033 0.000 1.086 213 I HN 0.226 nan 8.210 nan 0.000 0.483 214 I N -1.646 118.952 120.570 0.047 0.000 4.866 214 I HA 0.169 4.339 4.170 -0.000 0.000 0.325 214 I C 0.262 176.351 176.117 -0.046 0.000 1.240 214 I CA 0.057 61.362 61.300 0.008 0.000 1.355 214 I CB 0.636 38.640 38.000 0.007 0.000 1.395 214 I HN -0.033 nan 8.210 nan 0.000 0.479 215 E N 2.961 123.106 120.200 -0.091 0.000 2.293 215 E HA 0.399 4.749 4.350 -0.000 0.000 0.270 215 E C -0.800 175.698 176.600 -0.170 0.000 0.879 215 E CA -0.305 55.953 56.400 -0.236 0.000 0.756 215 E CB 1.698 31.069 29.700 -0.549 0.000 1.208 215 E HN 0.238 nan 8.360 nan 0.000 0.428 216 N N 1.542 120.188 118.700 -0.090 0.000 3.608 216 N HA -0.041 4.699 4.740 -0.000 0.000 0.134 216 N C -1.155 174.432 175.510 0.128 0.000 0.977 216 N CA -0.090 53.015 53.050 0.092 0.000 3.004 216 N CB -0.406 38.217 38.487 0.227 0.000 1.225 216 N HN 0.267 nan 8.380 nan 0.000 0.796 217 K N 0.539 120.993 120.400 0.090 0.000 2.419 217 K HA 0.515 4.835 4.320 -0.000 0.000 0.246 217 K C -1.342 175.357 176.600 0.164 0.000 1.037 217 K CA -1.487 54.855 56.287 0.091 0.000 0.982 217 K CB 1.033 33.547 32.500 0.024 0.000 1.283 217 K HN -0.131 nan 8.250 nan 0.000 0.500 218 P HA -0.028 nan 4.420 nan 0.000 0.230 218 P C -0.250 177.121 177.300 0.118 0.000 1.158 218 P CA 1.091 64.248 63.100 0.095 0.000 0.769 218 P CB 0.400 32.131 31.700 0.052 0.000 0.807 219 L N -1.774 119.548 121.223 0.164 0.000 2.359 219 L HA 0.486 4.826 4.340 -0.000 0.000 0.256 219 L C -0.938 176.152 176.870 0.366 0.000 1.026 219 L CA -1.244 53.707 54.840 0.185 0.000 0.828 219 L CB 1.812 43.906 42.059 0.058 0.000 1.406 219 L HN -0.279 nan 8.230 nan 0.000 0.413 220 Y N 1.245 121.515 120.300 -0.050 0.000 2.406 220 Y HA 0.403 4.953 4.550 -0.000 0.000 0.340 220 Y C -2.262 173.589 175.900 -0.081 0.000 0.975 220 Y CA -2.839 55.234 58.100 -0.044 0.000 1.056 220 Y CB 1.877 40.322 38.460 -0.025 0.000 1.210 220 Y HN 0.221 nan 8.280 nan 0.000 0.448 221 P HA 0.259 nan 4.420 nan 0.000 0.271 221 P C -0.951 176.345 177.300 -0.007 0.000 1.216 221 P CA 0.127 63.203 63.100 -0.040 0.000 0.776 221 P CB 1.614 33.364 31.700 0.084 0.000 0.881 222 V N 0.400 120.254 119.914 -0.099 0.000 3.120 222 V HA 0.617 4.737 4.120 -0.000 0.000 0.303 222 V C -0.762 175.224 176.094 -0.180 0.000 1.238 222 V CA -0.999 61.177 62.300 -0.206 0.000 1.008 222 V CB 2.148 33.702 31.823 -0.448 0.000 1.064 222 V HN 0.340 nan 8.190 nan 0.000 0.434 223 I N 3.038 123.480 120.570 -0.215 0.000 2.468 223 I HA 0.603 4.773 4.170 -0.000 0.000 0.285 223 I C -1.078 174.974 176.117 -0.109 0.000 1.039 223 I CA -0.360 60.910 61.300 -0.051 0.000 1.074 223 I CB 1.748 39.824 38.000 0.126 0.000 1.228 223 I HN 0.649 nan 8.210 nan 0.000 0.436 224 Y N 4.047 124.394 120.300 0.078 0.000 2.679 224 Y HA 0.583 5.133 4.550 -0.000 0.000 0.331 224 Y C 0.243 176.150 175.900 0.011 0.000 1.183 224 Y CA -0.891 57.218 58.100 0.015 0.000 1.290 224 Y CB 0.821 39.265 38.460 -0.025 0.000 1.489 224 Y HN 0.565 nan 8.280 nan 0.000 0.583 225 D N -2.595 117.853 120.400 0.079 0.000 2.643 225 D HA 0.132 4.772 4.640 -0.000 0.000 0.283 225 D C 0.586 176.756 176.300 -0.217 0.000 1.242 225 D CA -0.302 53.540 54.000 -0.264 0.000 0.863 225 D CB 1.396 41.886 40.800 -0.516 0.000 1.382 225 D HN 0.427 nan 8.370 nan 0.000 0.444 226 S N -0.094 115.426 115.700 -0.299 0.000 2.389 226 S HA -0.267 4.203 4.470 -0.000 0.000 0.229 226 S C 1.429 175.939 174.600 -0.149 0.000 1.048 226 S CA 2.220 60.303 58.200 -0.194 0.000 1.117 226 S CB -0.793 62.291 63.200 -0.194 0.000 1.020 226 S HN 0.532 nan 8.310 nan 0.000 0.430 227 N N 0.981 119.597 118.700 -0.140 0.000 2.184 227 N HA -0.102 4.638 4.740 -0.000 0.000 0.190 227 N C 1.538 176.979 175.510 -0.115 0.000 1.011 227 N CA 1.430 54.419 53.050 -0.103 0.000 0.867 227 N CB -0.777 37.669 38.487 -0.068 0.000 0.993 227 N HN 0.752 nan 8.380 nan 0.000 0.433 228 G N -0.820 107.901 108.800 -0.130 0.000 2.163 228 G HA2 -0.236 3.724 3.960 -0.000 0.000 0.213 228 G HA3 -0.236 3.724 3.960 -0.000 0.000 0.213 228 G C -0.059 174.774 174.900 -0.112 0.000 0.991 228 G CA 0.117 45.096 45.100 -0.201 0.000 0.653 228 G HN 0.199 nan 8.290 nan 0.000 0.518 229 V N 0.766 120.678 119.914 -0.004 0.000 2.715 229 V HA 0.460 4.580 4.120 -0.000 0.000 0.299 229 V C 1.258 177.472 176.094 0.200 0.000 1.054 229 V CA 0.029 62.386 62.300 0.095 0.000 1.077 229 V CB 1.778 33.703 31.823 0.170 0.000 0.972 229 V HN 0.695 nan 8.190 nan 0.000 0.484 230 V N 6.239 126.266 119.914 0.188 0.000 2.389 230 V HA 0.182 4.302 4.120 -0.000 0.000 0.264 230 V C 1.010 177.141 176.094 0.062 0.000 1.049 230 V CA -0.043 62.290 62.300 0.055 0.000 0.932 230 V CB 0.562 32.194 31.823 -0.317 0.000 1.011 230 V HN 0.760 nan 8.190 nan 0.000 0.475 231 L N 5.021 126.251 121.223 0.013 0.000 1.994 231 L HA 0.081 4.421 4.340 -0.000 0.000 0.208 231 L C 1.106 178.013 176.870 0.062 0.000 1.071 231 L CA 1.988 56.771 54.840 -0.095 0.000 0.745 231 L CB -0.892 41.067 42.059 -0.167 0.000 0.892 231 L HN 1.002 nan 8.230 nan 0.000 0.431 232 S N -2.634 113.120 115.700 0.091 0.000 2.645 232 S HA 0.256 4.726 4.470 -0.000 0.000 0.268 232 S C -0.701 173.968 174.600 0.115 0.000 1.110 232 S CA -0.730 57.648 58.200 0.297 0.000 0.823 232 S CB 1.506 64.926 63.200 0.367 0.000 1.091 232 S HN 0.105 nan 8.310 nan 0.000 0.466 233 M N 1.978 121.732 119.600 0.257 0.000 2.986 233 M HA 0.359 4.839 4.480 -0.000 0.000 0.241 233 M C -2.207 174.183 176.300 0.150 0.000 1.191 233 M CA -1.713 53.689 55.300 0.169 0.000 1.143 233 M CB 0.004 32.764 32.600 0.267 0.000 1.242 233 M HN 0.513 nan 8.290 nan 0.000 0.543 234 P HA -0.317 nan 4.420 nan 0.000 0.230 234 P C -1.752 175.565 177.300 0.029 0.000 0.769 234 P CA 2.646 65.799 63.100 0.087 0.000 1.097 234 P CB -1.458 30.322 31.700 0.133 0.000 0.679 235 P HA 0.014 nan 4.420 nan 0.000 0.221 235 P C 1.290 178.528 177.300 -0.104 0.000 1.155 235 P CA 1.009 64.088 63.100 -0.035 0.000 0.812 235 P CB -0.204 31.490 31.700 -0.010 0.000 0.801 236 I N -1.021 119.515 120.570 -0.056 0.000 2.405 236 I HA 0.041 4.211 4.170 -0.000 0.000 0.236 236 I C 0.919 176.931 176.117 -0.174 0.000 1.071 236 I CA 0.907 62.140 61.300 -0.111 0.000 1.398 236 I CB -0.777 37.233 38.000 0.017 0.000 1.162 236 I HN -0.157 nan 8.210 nan 0.000 0.432 237 I N -2.156 118.404 120.570 -0.016 0.000 3.006 237 I HA 0.478 4.648 4.170 -0.000 0.000 0.306 237 I C -0.990 175.206 176.117 0.132 0.000 1.250 237 I CA -1.367 59.918 61.300 -0.025 0.000 0.996 237 I CB 0.982 38.947 38.000 -0.059 0.000 1.261 237 I HN -0.088 nan 8.210 nan 0.000 0.442 238 N N 0.822 119.584 118.700 0.103 0.000 2.476 238 N HA 0.692 5.432 4.740 -0.000 0.000 0.276 238 N C -0.010 175.631 175.510 0.219 0.000 1.204 238 N CA -0.379 52.827 53.050 0.260 0.000 0.974 238 N CB 0.954 39.588 38.487 0.245 0.000 1.204 238 N HN 1.055 nan 8.380 nan 0.000 0.543 239 G N -0.807 108.247 108.800 0.423 0.000 2.403 239 G HA2 -0.014 3.946 3.960 -0.000 0.000 0.259 239 G HA3 -0.014 3.946 3.960 -0.000 0.000 0.259 239 G C 0.446 175.448 174.900 0.170 0.000 1.244 239 G CA -0.299 45.008 45.100 0.345 0.000 0.849 239 G HN 0.674 nan 8.290 nan 0.000 0.532 240 D N 0.898 121.340 120.400 0.069 0.000 2.264 240 D HA -0.180 4.460 4.640 -0.000 0.000 0.208 240 D C 1.631 178.022 176.300 0.152 0.000 0.966 240 D CA 0.701 54.749 54.000 0.080 0.000 0.864 240 D CB 0.144 40.965 40.800 0.036 0.000 0.933 240 D HN 0.594 nan 8.370 nan 0.000 0.499 241 H N 0.917 120.047 119.070 0.101 0.000 2.326 241 H HA -0.041 4.514 4.556 -0.000 0.000 0.301 241 H C 1.680 177.064 175.328 0.093 0.000 1.081 241 H CA 2.376 58.480 56.048 0.092 0.000 1.334 241 H CB -0.324 29.502 29.762 0.107 0.000 1.385 241 H HN 0.053 nan 8.280 nan 0.000 0.504 242 S N 0.188 115.865 115.700 -0.038 0.000 2.660 242 S HA 0.108 4.578 4.470 -0.000 0.000 0.227 242 S C 0.978 175.640 174.600 0.104 0.000 0.948 242 S CA -0.582 57.581 58.200 -0.061 0.000 0.948 242 S CB -0.221 62.955 63.200 -0.040 0.000 0.779 242 S HN 0.392 nan 8.310 nan 0.000 0.487 243 R N 1.235 121.787 120.500 0.087 0.000 2.758 243 R HA 0.165 4.505 4.340 -0.000 0.000 0.263 243 R C -0.708 175.621 176.300 0.047 0.000 1.010 243 R CA 0.038 56.191 56.100 0.089 0.000 1.114 243 R CB 0.102 30.440 30.300 0.063 0.000 0.985 243 R HN 0.400 nan 8.270 nan 0.000 0.439 244 I N 0.636 121.234 120.570 0.048 0.000 2.362 244 I HA 0.426 4.596 4.170 -0.000 0.000 0.289 244 I C -0.512 175.607 176.117 0.003 0.000 0.994 244 I CA -0.342 60.952 61.300 -0.010 0.000 1.158 244 I CB 1.944 39.923 38.000 -0.035 0.000 1.315 244 I HN 0.417 nan 8.210 nan 0.000 0.451 245 T N 3.570 118.017 114.554 -0.178 0.000 2.916 245 T HA 0.358 4.708 4.350 -0.000 0.000 0.292 245 T C 1.410 175.754 174.700 -0.594 0.000 1.064 245 T CA -0.714 61.132 62.100 -0.425 0.000 1.011 245 T CB 2.162 70.845 68.868 -0.308 0.000 1.152 245 T HN 0.371 nan 8.240 nan 0.000 0.510 246 V N 1.678 121.071 119.914 -0.867 0.000 2.352 246 V HA -0.286 3.834 4.120 -0.000 0.000 0.263 246 V C 1.906 177.848 176.094 -0.254 0.000 1.103 246 V CA 1.950 63.940 62.300 -0.517 0.000 1.099 246 V CB -0.680 30.922 31.823 -0.367 0.000 0.685 246 V HN 0.782 nan 8.190 nan 0.000 0.455 247 N N -1.003 117.558 118.700 -0.232 0.000 2.398 247 N HA 0.012 4.752 4.740 -0.000 0.000 0.188 247 N C 0.719 176.161 175.510 -0.114 0.000 1.122 247 N CA 0.233 53.208 53.050 -0.125 0.000 0.866 247 N CB 0.022 38.449 38.487 -0.100 0.000 0.970 247 N HN 0.477 nan 8.380 nan 0.000 0.462 248 T N 1.067 115.502 114.554 -0.197 0.000 2.946 248 T HA 0.048 4.398 4.350 -0.000 0.000 0.311 248 T C 1.402 176.069 174.700 -0.055 0.000 1.063 248 T CA 0.117 62.126 62.100 -0.152 0.000 1.139 248 T CB 1.778 70.499 68.868 -0.245 0.000 0.994 248 T HN 0.031 nan 8.240 nan 0.000 0.547 249 R N 1.792 122.287 120.500 -0.008 0.000 2.121 249 R HA 0.181 4.521 4.340 -0.000 0.000 0.206 249 R C 0.137 176.475 176.300 0.062 0.000 1.094 249 R CA 0.710 56.834 56.100 0.040 0.000 1.055 249 R CB 0.174 30.494 30.300 0.032 0.000 0.964 249 R HN 0.662 nan 8.270 nan 0.000 0.473 250 N N 0.332 119.063 118.700 0.051 0.000 2.314 250 N HA 0.396 5.136 4.740 -0.000 0.000 0.294 250 N C -0.988 174.569 175.510 0.078 0.000 1.029 250 N CA -0.403 52.693 53.050 0.077 0.000 0.845 250 N CB 2.524 41.064 38.487 0.088 0.000 1.321 250 N HN -0.068 nan 8.380 nan 0.000 0.481 251 I N 1.981 122.604 120.570 0.089 0.000 2.441 251 I HA 0.337 4.507 4.170 -0.000 0.000 0.295 251 I C -1.015 175.193 176.117 0.153 0.000 0.994 251 I CA -0.813 60.540 61.300 0.088 0.000 1.144 251 I CB 1.306 39.315 38.000 0.015 0.000 1.314 251 I HN 0.444 nan 8.210 nan 0.000 0.445 252 F N 7.891 127.846 119.950 0.009 0.000 2.402 252 F HA 0.608 5.135 4.527 -0.000 0.000 0.355 252 F C -0.698 175.063 175.800 -0.066 0.000 1.123 252 F CA -0.602 57.376 58.000 -0.036 0.000 1.021 252 F CB 0.678 39.625 39.000 -0.088 0.000 1.160 252 F HN 0.189 nan 8.300 nan 0.000 0.451 253 I N 6.428 126.635 120.570 -0.605 0.000 2.354 253 I HA 0.365 4.535 4.170 -0.000 0.000 0.292 253 I C -0.538 175.092 176.117 -0.811 0.000 0.989 253 I CA -0.645 60.331 61.300 -0.540 0.000 1.188 253 I CB 1.512 39.349 38.000 -0.272 0.000 1.342 253 I HN 0.528 nan 8.210 nan 0.000 0.457 254 E N 6.864 126.701 120.200 -0.606 0.000 2.266 254 E HA 0.493 4.843 4.350 -0.000 0.000 0.268 254 E C -1.978 174.406 176.600 -0.359 0.000 0.879 254 E CA -0.556 55.540 56.400 -0.508 0.000 0.762 254 E CB 2.208 31.722 29.700 -0.311 0.000 1.199 254 E HN 0.634 nan 8.360 nan 0.000 0.422 255 C N 2.790 121.864 119.300 -0.377 0.000 2.397 255 C HA 0.666 5.126 4.460 -0.000 0.000 0.325 255 C C 0.044 174.827 174.990 -0.345 0.000 1.201 255 C CA -0.481 58.345 59.018 -0.319 0.000 1.377 255 C CB 0.723 28.270 27.740 -0.322 0.000 2.038 255 C HN 0.805 nan 8.230 nan 0.000 0.457 256 T N 0.468 114.857 114.554 -0.275 0.000 2.942 256 T HA 0.975 5.325 4.350 -0.000 0.000 0.289 256 T C -0.112 174.548 174.700 -0.066 0.000 1.044 256 T CA 0.055 61.993 62.100 -0.270 0.000 1.023 256 T CB 2.094 70.753 68.868 -0.348 0.000 1.123 256 T HN 1.626 nan 8.240 nan 0.000 0.512 257 G N -0.070 108.768 108.800 0.063 0.000 2.320 257 G HA2 0.384 4.344 3.960 -0.000 0.000 0.297 257 G HA3 0.384 4.344 3.960 -0.000 0.000 0.297 257 G C 0.315 175.369 174.900 0.256 0.000 1.344 257 G CA 0.132 45.310 45.100 0.131 0.000 0.851 257 G HN 1.181 nan 8.290 nan 0.000 0.567 258 T N -2.887 111.799 114.554 0.220 0.000 3.035 258 T HA 0.198 4.548 4.350 -0.000 0.000 0.259 258 T C 0.466 175.496 174.700 0.550 0.000 1.078 258 T CA 1.481 63.725 62.100 0.239 0.000 1.132 258 T CB 0.291 69.231 68.868 0.119 0.000 0.900 258 T HN 0.435 nan 8.240 nan 0.000 0.480 259 D N 0.426 121.076 120.400 0.417 0.000 2.454 259 D HA 0.238 4.878 4.640 -0.000 0.000 0.225 259 D C 0.324 176.675 176.300 0.086 0.000 1.081 259 D CA -0.899 53.278 54.000 0.295 0.000 0.864 259 D CB 0.605 41.483 40.800 0.130 0.000 1.040 259 D HN 0.034 nan 8.370 nan 0.000 0.517 260 F N 3.180 122.824 119.950 -0.510 0.000 2.005 260 F HA -0.327 4.200 4.527 -0.000 0.000 0.297 260 F C 2.426 178.002 175.800 -0.373 0.000 1.175 260 F CA 2.876 60.312 58.000 -0.939 0.000 1.192 260 F CB -0.832 37.360 39.000 -1.346 0.000 0.953 260 F HN 0.423 nan 8.300 nan 0.000 0.504 261 T N -0.746 113.960 114.554 0.253 0.000 2.680 261 T HA -0.318 4.032 4.350 -0.000 0.000 0.268 261 T C 1.965 176.661 174.700 -0.007 0.000 1.033 261 T CA 2.011 64.212 62.100 0.169 0.000 1.152 261 T CB -0.763 68.166 68.868 0.102 0.000 0.859 261 T HN 0.347 nan 8.240 nan 0.000 0.452 262 K N 1.552 121.927 120.400 -0.041 0.000 2.009 262 K HA 0.012 4.332 4.320 -0.000 0.000 0.210 262 K C 2.942 179.446 176.600 -0.160 0.000 1.049 262 K CA 1.344 57.573 56.287 -0.097 0.000 0.929 262 K CB -0.653 31.803 32.500 -0.074 0.000 0.714 262 K HN 0.455 nan 8.250 nan 0.000 0.440 263 A N 2.015 124.726 122.820 -0.182 0.000 1.873 263 A HA -0.265 4.055 4.320 -0.000 0.000 0.218 263 A C 2.095 179.515 177.584 -0.274 0.000 1.193 263 A CA 2.045 53.936 52.037 -0.244 0.000 0.629 263 A CB -0.578 18.249 19.000 -0.289 0.000 0.826 263 A HN 0.284 nan 8.150 nan 0.000 0.447 264 K N -0.857 119.362 120.400 -0.302 0.000 2.127 264 K HA -0.185 4.135 4.320 -0.000 0.000 0.208 264 K C 1.740 178.276 176.600 -0.108 0.000 1.047 264 K CA 1.762 57.932 56.287 -0.195 0.000 0.927 264 K CB -0.212 32.250 32.500 -0.064 0.000 0.716 264 K HN 0.440 nan 8.250 nan 0.000 0.450 265 I N 0.371 120.868 120.570 -0.123 0.000 2.277 265 I HA -0.187 3.983 4.170 -0.000 0.000 0.243 265 I C 2.254 178.260 176.117 -0.185 0.000 1.094 265 I CA 0.846 62.068 61.300 -0.129 0.000 1.393 265 I CB -0.892 37.024 38.000 -0.141 0.000 1.078 265 I HN -0.006 nan 8.210 nan 0.000 0.417 266 V N 1.349 121.120 119.914 -0.237 0.000 2.324 266 V HA -0.300 3.820 4.120 -0.000 0.000 0.250 266 V C 2.579 178.537 176.094 -0.225 0.000 1.060 266 V CA 1.662 63.803 62.300 -0.266 0.000 1.042 266 V CB -0.748 30.904 31.823 -0.286 0.000 0.650 266 V HN 0.378 nan 8.190 nan 0.000 0.450 267 L N 0.039 121.137 121.223 -0.208 0.000 1.955 267 L HA -0.257 4.083 4.340 -0.000 0.000 0.213 267 L C 2.389 179.185 176.870 -0.123 0.000 1.072 267 L CA 2.476 57.209 54.840 -0.178 0.000 0.755 267 L CB -0.581 41.372 42.059 -0.178 0.000 0.888 267 L HN 0.319 nan 8.230 nan 0.000 0.432 268 D N -0.018 120.323 120.400 -0.098 0.000 2.149 268 D HA -0.266 4.374 4.640 -0.000 0.000 0.194 268 D C 2.167 178.391 176.300 -0.127 0.000 1.001 268 D CA 1.554 55.502 54.000 -0.087 0.000 0.849 268 D CB -0.099 40.657 40.800 -0.074 0.000 0.939 268 D HN 0.250 nan 8.370 nan 0.000 0.449 269 I N 0.447 120.935 120.570 -0.137 0.000 2.142 269 I HA -0.219 3.951 4.170 -0.000 0.000 0.240 269 I C 2.360 178.422 176.117 -0.090 0.000 1.078 269 I CA 1.072 62.294 61.300 -0.131 0.000 1.343 269 I CB -0.801 37.123 38.000 -0.126 0.000 1.046 269 I HN 0.122 nan 8.210 nan 0.000 0.405 270 I N -0.212 120.303 120.570 -0.092 0.000 2.099 270 I HA -0.292 3.878 4.170 -0.000 0.000 0.239 270 I C 2.695 178.873 176.117 0.102 0.000 1.066 270 I CA 1.221 62.498 61.300 -0.037 0.000 1.324 270 I CB -0.569 37.342 38.000 -0.148 0.000 1.037 270 I HN 0.007 nan 8.210 nan 0.000 0.401 271 V N 0.005 119.947 119.914 0.047 0.000 2.343 271 V HA -0.308 3.812 4.120 -0.000 0.000 0.247 271 V C 2.578 178.727 176.094 0.092 0.000 1.051 271 V CA 2.667 65.026 62.300 0.100 0.000 1.036 271 V CB -0.266 31.587 31.823 0.050 0.000 0.654 271 V HN 0.526 nan 8.190 nan 0.000 0.451 272 T N -1.449 113.079 114.554 -0.043 0.000 2.951 272 T HA -0.153 4.197 4.350 -0.000 0.000 0.268 272 T C 1.699 176.327 174.700 -0.120 0.000 1.073 272 T CA 1.795 63.759 62.100 -0.227 0.000 1.134 272 T CB -0.093 68.399 68.868 -0.627 0.000 0.884 272 T HN 0.360 nan 8.240 nan 0.000 0.479 273 M N 0.114 119.685 119.600 -0.048 0.000 2.081 273 M HA 0.215 4.695 4.480 -0.000 0.000 0.261 273 M C 1.128 177.338 176.300 -0.150 0.000 1.075 273 M CA 1.668 56.928 55.300 -0.067 0.000 1.133 273 M CB -0.411 32.171 32.600 -0.029 0.000 1.330 273 M HN 0.287 nan 8.290 nan 0.000 0.414 274 F N -0.496 119.466 119.950 0.020 0.000 2.797 274 F HA 0.115 4.642 4.527 -0.000 0.000 0.302 274 F C 2.188 177.945 175.800 -0.072 0.000 1.130 274 F CA 0.566 58.544 58.000 -0.036 0.000 1.387 274 F CB -0.667 38.464 39.000 0.218 0.000 1.107 274 F HN 0.267 nan 8.300 nan 0.000 0.577 275 S N -0.646 115.145 115.700 0.152 0.000 2.595 275 S HA -0.172 4.298 4.470 -0.000 0.000 0.235 275 S C 1.701 176.198 174.600 -0.171 0.000 0.974 275 S CA 0.754 59.022 58.200 0.113 0.000 0.942 275 S CB -0.596 62.760 63.200 0.260 0.000 0.766 275 S HN 0.609 nan 8.310 nan 0.000 0.536 276 E N 0.351 120.312 120.200 -0.398 0.000 2.347 276 E HA -0.075 4.275 4.350 -0.000 0.000 0.196 276 E C 0.516 176.809 176.600 -0.511 0.000 1.008 276 E CA 0.629 56.490 56.400 -0.899 0.000 0.852 276 E CB -0.061 29.208 29.700 -0.717 0.000 0.783 276 E HN 0.896 nan 8.360 nan 0.000 0.505 277 Y N -0.787 119.400 120.300 -0.189 0.000 2.485 277 Y HA 0.201 4.751 4.550 -0.000 0.000 0.260 277 Y C 0.683 176.529 175.900 -0.090 0.000 1.173 277 Y CA -1.288 56.731 58.100 -0.134 0.000 1.252 277 Y CB 0.506 38.892 38.460 -0.123 0.000 1.123 277 Y HN 0.032 nan 8.280 nan 0.000 0.524 278 C N 0.994 120.322 119.300 0.047 0.000 2.534 278 C HA -0.013 4.447 4.460 -0.000 0.000 0.385 278 C C 2.252 177.256 174.990 0.023 0.000 1.264 278 C CA -0.324 58.724 59.018 0.050 0.000 2.342 278 C CB 1.071 28.844 27.740 0.055 0.000 2.564 278 C HN 0.599 nan 8.230 nan 0.000 0.603 279 E N 1.708 121.930 120.200 0.038 0.000 2.070 279 E HA -0.245 4.105 4.350 -0.000 0.000 0.197 279 E C 1.067 177.679 176.600 0.019 0.000 1.004 279 E CA 1.218 57.635 56.400 0.028 0.000 0.805 279 E CB -0.064 29.657 29.700 0.035 0.000 0.744 279 E HN 0.675 nan 8.360 nan 0.000 0.451 280 N N 1.627 120.345 118.700 0.029 0.000 3.188 280 N HA -0.042 4.698 4.740 -0.000 0.000 0.279 280 N C -1.089 174.435 175.510 0.024 0.000 1.213 280 N CA -0.019 53.051 53.050 0.033 0.000 1.138 280 N CB 0.195 38.712 38.487 0.050 0.000 1.417 280 N HN 0.254 nan 8.380 nan 0.000 0.526 281 Q N 1.565 121.348 119.800 -0.029 0.000 2.658 281 Q HA -0.203 4.137 4.340 -0.000 0.000 0.367 281 Q C -0.440 175.544 176.000 -0.027 0.000 1.107 281 Q CA 0.909 56.622 55.803 -0.149 0.000 1.128 281 Q CB -0.092 28.509 28.738 -0.228 0.000 1.099 281 Q HN 0.561 nan 8.270 nan 0.000 0.418 282 F N 0.928 120.924 119.950 0.077 0.000 2.983 282 F HA -0.279 4.248 4.527 -0.000 0.000 0.288 282 F C 0.071 175.944 175.800 0.121 0.000 0.980 282 F CA 0.854 58.922 58.000 0.114 0.000 0.965 282 F CB -1.391 37.623 39.000 0.024 0.000 0.967 282 F HN 0.522 nan 8.300 nan 0.000 0.800 283 T N 0.527 115.230 114.554 0.247 0.000 2.952 283 T HA 0.719 5.069 4.350 -0.000 0.000 0.305 283 T C -0.843 173.960 174.700 0.171 0.000 1.064 283 T CA -0.574 61.639 62.100 0.188 0.000 1.008 283 T CB 1.717 70.661 68.868 0.127 0.000 1.078 283 T HN 0.026 nan 8.240 nan 0.000 0.459 284 V N 4.284 124.294 119.914 0.160 0.000 2.540 284 V HA 0.476 4.596 4.120 -0.000 0.000 0.302 284 V C 0.103 176.268 176.094 0.118 0.000 1.035 284 V CA -0.932 61.451 62.300 0.139 0.000 0.873 284 V CB 1.710 33.617 31.823 0.140 0.000 0.992 284 V HN 0.925 nan 8.190 nan 0.000 0.428 285 E N 3.674 123.941 120.200 0.112 0.000 2.217 285 E HA 0.517 4.867 4.350 -0.000 0.000 0.279 285 E C 0.447 177.116 176.600 0.115 0.000 1.068 285 E CA -0.337 56.129 56.400 0.109 0.000 0.882 285 E CB 1.087 30.854 29.700 0.113 0.000 1.039 285 E HN 0.896 nan 8.360 nan 0.000 0.418 286 A N 3.566 126.453 122.820 0.112 0.000 2.567 286 A HA 0.392 4.712 4.320 -0.000 0.000 0.236 286 A C -0.084 177.587 177.584 0.146 0.000 1.088 286 A CA 0.651 52.761 52.037 0.122 0.000 0.776 286 A CB 0.251 19.314 19.000 0.105 0.000 1.033 286 A HN 0.750 nan 8.150 nan 0.000 0.513 287 A N 0.330 123.255 122.820 0.175 0.000 2.520 287 A HA 0.620 4.940 4.320 -0.000 0.000 0.298 287 A C -0.621 177.109 177.584 0.243 0.000 1.051 287 A CA -0.373 51.787 52.037 0.205 0.000 0.690 287 A CB 1.034 20.143 19.000 0.182 0.000 1.281 287 A HN 0.882 nan 8.150 nan 0.000 0.402 288 E N 1.765 122.102 120.200 0.228 0.000 2.109 288 E HA 0.524 4.874 4.350 -0.000 0.000 0.278 288 E C -1.284 175.462 176.600 0.244 0.000 0.954 288 E CA -0.372 56.167 56.400 0.232 0.000 0.779 288 E CB 1.108 30.909 29.700 0.170 0.000 1.093 288 E HN 0.419 nan 8.360 nan 0.000 0.401 289 V N 5.235 125.345 119.914 0.326 0.000 2.394 289 V HA 0.248 4.368 4.120 -0.000 0.000 0.282 289 V C -0.170 176.048 176.094 0.207 0.000 1.031 289 V CA -0.723 61.707 62.300 0.217 0.000 0.881 289 V CB 1.560 33.476 31.823 0.155 0.000 0.982 289 V HN 0.473 nan 8.190 nan 0.000 0.451 290 V N 5.826 125.798 119.914 0.098 0.000 2.370 290 V HA 0.465 4.585 4.120 -0.000 0.000 0.283 290 V C -0.217 175.922 176.094 0.075 0.000 1.023 290 V CA -0.510 61.857 62.300 0.111 0.000 0.857 290 V CB 1.227 33.107 31.823 0.095 0.000 0.985 290 V HN 0.610 nan 8.190 nan 0.000 0.443 291 F N 5.633 125.650 119.950 0.112 0.000 2.378 291 F HA 0.361 4.888 4.527 -0.000 0.000 0.319 291 F C -1.066 174.815 175.800 0.134 0.000 1.155 291 F CA -1.679 56.429 58.000 0.180 0.000 1.157 291 F CB 0.585 39.748 39.000 0.271 0.000 1.252 291 F HN 0.346 nan 8.300 nan 0.000 0.550 292 P HA -0.193 nan 4.420 nan 0.000 0.219 292 P C 1.412 178.827 177.300 0.192 0.000 1.146 292 P CA 1.231 64.447 63.100 0.193 0.000 0.808 292 P CB 0.039 31.843 31.700 0.172 0.000 0.779 293 N N -0.348 118.512 118.700 0.266 0.000 2.272 293 N HA -0.167 4.573 4.740 -0.000 0.000 0.185 293 N C 1.494 177.095 175.510 0.151 0.000 1.014 293 N CA 1.893 55.063 53.050 0.199 0.000 0.870 293 N CB -0.494 38.127 38.487 0.224 0.000 0.975 293 N HN 0.187 nan 8.380 nan 0.000 0.433 294 G N -0.107 108.790 108.800 0.161 0.000 2.213 294 G HA2 -0.207 3.753 3.960 -0.000 0.000 0.236 294 G HA3 -0.207 3.753 3.960 -0.000 0.000 0.236 294 G C 0.038 174.990 174.900 0.086 0.000 0.991 294 G CA 0.149 45.314 45.100 0.108 0.000 0.629 294 G HN 0.328 nan 8.290 nan 0.000 0.517 295 K N 0.844 121.296 120.400 0.086 0.000 2.126 295 K HA 0.671 4.991 4.320 -0.000 0.000 0.257 295 K C -0.173 176.346 176.600 -0.135 0.000 1.007 295 K CA -0.099 56.183 56.287 -0.008 0.000 0.928 295 K CB 1.341 33.852 32.500 0.018 0.000 1.013 295 K HN 0.169 nan 8.250 nan 0.000 0.473 296 S N 1.767 117.351 115.700 -0.192 0.000 2.552 296 S HA 0.361 4.831 4.470 -0.000 0.000 0.314 296 S C -0.890 173.604 174.600 -0.177 0.000 1.099 296 S CA -0.889 57.223 58.200 -0.147 0.000 1.070 296 S CB 0.715 63.924 63.200 0.015 0.000 0.998 296 S HN 0.383 nan 8.310 nan 0.000 0.474 297 H N 1.070 120.315 119.070 0.293 0.000 2.569 297 H HA 0.470 5.026 4.556 -0.000 0.000 0.357 297 H C -0.203 175.183 175.328 0.097 0.000 1.153 297 H CA -0.618 55.519 56.048 0.149 0.000 1.193 297 H CB 1.157 31.030 29.762 0.186 0.000 1.602 297 H HN 0.383 nan 8.280 nan 0.000 0.523 298 T N 2.904 117.459 114.554 0.001 0.000 2.882 298 T HA 0.479 4.829 4.350 -0.000 0.000 0.287 298 T C -0.198 174.335 174.700 -0.278 0.000 0.992 298 T CA -0.198 61.900 62.100 -0.004 0.000 1.076 298 T CB 0.259 69.133 68.868 0.010 0.000 0.961 298 T HN 0.257 nan 8.240 nan 0.000 0.490 299 F N 2.156 122.169 119.950 0.105 0.000 2.643 299 F HA 0.512 5.039 4.527 -0.000 0.000 0.314 299 F C -2.212 173.611 175.800 0.039 0.000 1.096 299 F CA -2.316 55.722 58.000 0.064 0.000 0.953 299 F CB 1.992 41.010 39.000 0.030 0.000 1.345 299 F HN 0.309 nan 8.300 nan 0.000 0.468 300 P HA 0.160 nan 4.420 nan 0.000 0.276 300 P C -1.345 176.048 177.300 0.154 0.000 1.252 300 P CA -0.457 62.812 63.100 0.283 0.000 0.802 300 P CB 0.892 32.677 31.700 0.142 0.000 1.035 301 E N 1.589 121.869 120.200 0.133 0.000 2.069 301 E HA 0.246 4.596 4.350 -0.000 0.000 0.254 301 E C -0.218 176.433 176.600 0.084 0.000 1.088 301 E CA -0.544 55.874 56.400 0.030 0.000 1.017 301 E CB -0.638 29.035 29.700 -0.045 0.000 1.226 301 E HN 0.315 nan 8.360 nan 0.000 0.458 302 L N 2.761 124.053 121.223 0.115 0.000 2.694 302 L HA 0.009 4.349 4.340 -0.000 0.000 0.287 302 L C 0.592 177.602 176.870 0.233 0.000 1.249 302 L CA -0.229 54.711 54.840 0.167 0.000 1.177 302 L CB -0.544 41.658 42.059 0.239 0.000 1.435 302 L HN 0.559 nan 8.230 nan 0.000 0.440 303 A N 3.489 126.388 122.820 0.133 0.000 2.524 303 A HA 0.172 4.492 4.320 -0.000 0.000 0.250 303 A C -0.692 176.969 177.584 0.129 0.000 1.078 303 A CA 0.248 52.358 52.037 0.122 0.000 0.761 303 A CB -0.165 18.862 19.000 0.046 0.000 1.012 303 A HN 0.511 nan 8.150 nan 0.000 0.500 304 Y N 2.439 122.754 120.300 0.025 0.000 2.555 304 Y HA 0.328 4.878 4.550 -0.000 0.000 0.326 304 Y C 0.567 176.478 175.900 0.018 0.000 0.984 304 Y CA -0.279 57.839 58.100 0.029 0.000 1.298 304 Y CB 1.179 39.661 38.460 0.037 0.000 1.094 304 Y HN 0.724 nan 8.280 nan 0.000 0.500 305 R N 2.327 122.864 120.500 0.062 0.000 2.490 305 R HA 0.407 4.747 4.340 -0.000 0.000 0.278 305 R C -0.324 176.007 176.300 0.052 0.000 1.069 305 R CA -0.555 55.572 56.100 0.044 0.000 1.080 305 R CB 0.923 31.226 30.300 0.005 0.000 1.030 305 R HN 0.413 nan 8.270 nan 0.000 0.491 306 K N 2.367 122.794 120.400 0.045 0.000 2.762 306 K HA 0.135 4.455 4.320 -0.000 0.000 0.180 306 K C -0.698 175.913 176.600 0.018 0.000 1.067 306 K CA -0.135 56.176 56.287 0.040 0.000 0.973 306 K CB 0.883 33.411 32.500 0.048 0.000 1.290 306 K HN 0.541 nan 8.250 nan 0.000 0.604 307 E N 1.426 121.630 120.200 0.006 0.000 2.342 307 E HA 0.255 4.605 4.350 -0.000 0.000 0.257 307 E C -0.336 176.260 176.600 -0.007 0.000 1.150 307 E CA -0.321 56.076 56.400 -0.005 0.000 0.926 307 E CB 1.241 30.930 29.700 -0.019 0.000 1.074 307 E HN 0.210 nan 8.360 nan 0.000 0.449 308 M N 1.950 121.542 119.600 -0.014 0.000 2.395 308 M HA 0.382 4.862 4.480 -0.000 0.000 0.307 308 M C -1.908 174.377 176.300 -0.025 0.000 1.091 308 M CA -0.777 54.514 55.300 -0.014 0.000 0.919 308 M CB 1.710 34.304 32.600 -0.009 0.000 1.662 308 M HN 0.271 nan 8.290 nan 0.000 0.440 309 V N 4.725 124.623 119.914 -0.027 0.000 2.735 309 V HA 0.547 4.667 4.120 -0.000 0.000 0.310 309 V C -0.292 175.784 176.094 -0.030 0.000 1.061 309 V CA -0.899 61.380 62.300 -0.035 0.000 0.913 309 V CB 2.224 34.021 31.823 -0.044 0.000 1.005 309 V HN 0.844 nan 8.190 nan 0.000 0.428 310 R N 2.372 122.854 120.500 -0.031 0.000 2.316 310 R HA 0.399 4.739 4.340 -0.000 0.000 0.314 310 R C 1.414 177.694 176.300 -0.032 0.000 1.069 310 R CA 0.302 56.386 56.100 -0.027 0.000 0.959 310 R CB 1.055 31.340 30.300 -0.025 0.000 0.987 310 R HN 0.943 nan 8.270 nan 0.000 0.446 311 A N 3.907 126.708 122.820 -0.030 0.000 1.971 311 A HA -0.278 4.042 4.320 -0.000 0.000 0.222 311 A C 1.444 179.003 177.584 -0.041 0.000 1.182 311 A CA 1.868 53.883 52.037 -0.036 0.000 0.649 311 A CB -0.285 18.695 19.000 -0.033 0.000 0.818 311 A HN 0.785 nan 8.150 nan 0.000 0.458 312 D N -0.690 119.689 120.400 -0.035 0.000 2.149 312 D HA -0.163 4.477 4.640 -0.000 0.000 0.198 312 D C 1.837 178.115 176.300 -0.038 0.000 0.990 312 D CA 1.566 55.545 54.000 -0.035 0.000 0.839 312 D CB -0.295 40.488 40.800 -0.028 0.000 0.948 312 D HN 0.418 nan 8.370 nan 0.000 0.460 313 L N 1.377 122.578 121.223 -0.037 0.000 1.970 313 L HA -0.161 4.179 4.340 -0.000 0.000 0.212 313 L C 2.334 179.178 176.870 -0.044 0.000 1.071 313 L CA 1.420 56.238 54.840 -0.038 0.000 0.751 313 L CB -0.700 41.334 42.059 -0.041 0.000 0.889 313 L HN -0.026 nan 8.230 nan 0.000 0.432 314 I N -0.081 120.460 120.570 -0.049 0.000 2.145 314 I HA -0.383 3.787 4.170 -0.000 0.000 0.244 314 I C 2.274 178.353 176.117 -0.063 0.000 1.075 314 I CA 1.560 62.828 61.300 -0.053 0.000 1.332 314 I CB -0.756 37.212 38.000 -0.053 0.000 1.033 314 I HN 0.431 nan 8.210 nan 0.000 0.410 315 N N 1.129 119.788 118.700 -0.069 0.000 2.028 315 N HA -0.223 4.517 4.740 -0.000 0.000 0.194 315 N C 1.837 177.310 175.510 -0.061 0.000 1.050 315 N CA 1.381 54.383 53.050 -0.079 0.000 0.848 315 N CB -0.442 38.001 38.487 -0.074 0.000 1.038 315 N HN 0.326 nan 8.380 nan 0.000 0.423 316 K N 0.896 121.267 120.400 -0.048 0.000 2.218 316 K HA -0.113 4.207 4.320 -0.000 0.000 0.205 316 K C 1.476 178.054 176.600 -0.037 0.000 1.046 316 K CA 1.087 57.351 56.287 -0.038 0.000 0.933 316 K CB 0.231 32.713 32.500 -0.031 0.000 0.728 316 K HN 0.009 nan 8.250 nan 0.000 0.454 317 K N -0.117 120.259 120.400 -0.040 0.000 2.128 317 K HA 0.011 4.331 4.320 -0.000 0.000 0.202 317 K C 2.036 178.608 176.600 -0.046 0.000 1.050 317 K CA 0.593 56.857 56.287 -0.038 0.000 0.966 317 K CB -0.012 32.468 32.500 -0.034 0.000 0.759 317 K HN -0.015 nan 8.250 nan 0.000 0.454 318 V N 0.023 119.906 119.914 -0.052 0.000 2.407 318 V HA -0.030 4.090 4.120 -0.000 0.000 0.245 318 V C 1.252 177.312 176.094 -0.057 0.000 1.041 318 V CA 1.616 63.882 62.300 -0.057 0.000 1.040 318 V CB -0.433 31.359 31.823 -0.050 0.000 0.671 318 V HN 0.613 nan 8.190 nan 0.000 0.455 319 G N 0.806 109.574 108.800 -0.054 0.000 2.181 319 G HA2 -0.135 3.825 3.960 -0.000 0.000 0.152 319 G HA3 -0.135 3.825 3.960 -0.000 0.000 0.152 319 G C -0.158 174.720 174.900 -0.037 0.000 1.026 319 G CA 0.017 45.093 45.100 -0.040 0.000 0.699 319 G HN 0.713 nan 8.290 nan 0.000 0.497 320 I N -3.743 116.780 120.570 -0.079 0.000 2.934 320 I HA 0.872 5.042 4.170 -0.000 0.000 0.306 320 I C -0.147 175.892 176.117 -0.129 0.000 1.110 320 I CA -1.960 59.264 61.300 -0.126 0.000 1.019 320 I CB 1.989 39.802 38.000 -0.313 0.000 1.227 320 I HN -0.081 nan 8.210 nan 0.000 0.434 321 R N 2.443 122.872 120.500 -0.119 0.000 2.748 321 R HA 0.341 4.681 4.340 -0.000 0.000 0.283 321 R C -0.904 175.339 176.300 -0.096 0.000 1.507 321 R CA -0.497 55.550 56.100 -0.088 0.000 1.666 321 R CB 0.721 30.992 30.300 -0.048 0.000 1.237 321 R HN 0.583 nan 8.270 nan 0.000 0.633 322 E N 1.081 121.193 120.200 -0.147 0.000 2.283 322 E HA 0.114 4.464 4.350 -0.000 0.000 0.267 322 E C 0.310 176.862 176.600 -0.080 0.000 1.045 322 E CA -0.240 56.085 56.400 -0.125 0.000 0.884 322 E CB 1.457 31.036 29.700 -0.202 0.000 1.106 322 E HN 0.240 nan 8.360 nan 0.000 0.408 323 T N -1.272 113.251 114.554 -0.051 0.000 2.913 323 T HA 0.144 4.494 4.350 -0.000 0.000 0.297 323 T C -1.539 173.140 174.700 -0.035 0.000 1.029 323 T CA -1.519 60.559 62.100 -0.036 0.000 1.104 323 T CB 1.143 69.998 68.868 -0.021 0.000 0.964 323 T HN 0.125 nan 8.240 nan 0.000 0.532 324 P HA -0.220 nan 4.420 nan 0.000 0.216 324 P C 1.267 178.556 177.300 -0.018 0.000 1.153 324 P CA 1.400 64.484 63.100 -0.026 0.000 0.858 324 P CB 0.169 31.856 31.700 -0.021 0.000 0.789 325 E N -0.300 119.891 120.200 -0.014 0.000 2.085 325 E HA -0.189 4.161 4.350 -0.000 0.000 0.194 325 E C 1.861 178.456 176.600 -0.007 0.000 0.994 325 E CA 1.038 57.433 56.400 -0.009 0.000 0.801 325 E CB -0.224 29.472 29.700 -0.007 0.000 0.743 325 E HN 0.170 nan 8.360 nan 0.000 0.453 326 N N 0.348 119.042 118.700 -0.010 0.000 2.300 326 N HA -0.107 4.633 4.740 -0.000 0.000 0.179 326 N C 1.853 177.359 175.510 -0.006 0.000 1.016 326 N CA 0.420 53.468 53.050 -0.003 0.000 0.876 326 N CB -0.150 38.337 38.487 -0.001 0.000 0.979 326 N HN 0.143 nan 8.380 nan 0.000 0.432 327 L N 1.673 122.882 121.223 -0.023 0.000 2.042 327 L HA -0.084 4.256 4.340 -0.000 0.000 0.210 327 L C 2.348 179.216 176.870 -0.005 0.000 1.076 327 L CA 1.269 56.093 54.840 -0.028 0.000 0.749 327 L CB -1.050 40.984 42.059 -0.042 0.000 0.893 327 L HN 0.084 nan 8.230 nan 0.000 0.432 328 A N -0.841 121.976 122.820 -0.004 0.000 1.883 328 A HA -0.277 4.043 4.320 -0.000 0.000 0.217 328 A C 2.329 179.921 177.584 0.013 0.000 1.186 328 A CA 2.034 54.074 52.037 0.005 0.000 0.624 328 A CB -0.488 18.513 19.000 0.002 0.000 0.822 328 A HN 0.423 nan 8.150 nan 0.000 0.444 329 K N -0.497 119.909 120.400 0.010 0.000 2.044 329 K HA -0.132 4.188 4.320 -0.000 0.000 0.210 329 K C 1.923 178.538 176.600 0.024 0.000 1.049 329 K CA 1.383 57.677 56.287 0.012 0.000 0.927 329 K CB -0.407 32.098 32.500 0.008 0.000 0.713 329 K HN 0.335 nan 8.250 nan 0.000 0.443 330 L N 1.110 122.355 121.223 0.038 0.000 1.956 330 L HA -0.232 4.108 4.340 -0.000 0.000 0.216 330 L C 2.457 179.372 176.870 0.074 0.000 1.073 330 L CA 1.774 56.654 54.840 0.067 0.000 0.762 330 L CB -1.204 40.904 42.059 0.081 0.000 0.889 330 L HN 0.294 nan 8.230 nan 0.000 0.433 331 L N -0.739 120.519 121.223 0.058 0.000 2.051 331 L HA -0.293 4.047 4.340 -0.000 0.000 0.214 331 L C 2.548 179.459 176.870 0.069 0.000 1.076 331 L CA 1.747 56.623 54.840 0.061 0.000 0.758 331 L CB -0.963 41.118 42.059 0.037 0.000 0.890 331 L HN 0.381 nan 8.230 nan 0.000 0.433 332 T N -0.718 113.865 114.554 0.049 0.000 2.652 332 T HA -0.204 4.146 4.350 -0.000 0.000 0.267 332 T C 1.923 176.642 174.700 0.031 0.000 1.039 332 T CA 1.295 63.418 62.100 0.039 0.000 1.153 332 T CB -0.221 68.657 68.868 0.017 0.000 0.863 332 T HN 0.305 nan 8.240 nan 0.000 0.428 333 R N 0.166 120.685 120.500 0.031 0.000 2.261 333 R HA 0.017 4.357 4.340 -0.000 0.000 0.236 333 R C 1.619 177.987 176.300 0.114 0.000 1.141 333 R CA 0.918 57.034 56.100 0.027 0.000 1.001 333 R CB -0.235 30.072 30.300 0.011 0.000 0.866 333 R HN 0.245 nan 8.270 nan 0.000 0.468 334 M N -1.277 118.417 119.600 0.157 0.000 2.453 334 M HA 0.090 4.570 4.480 -0.000 0.000 0.239 334 M C -0.391 176.075 176.300 0.277 0.000 1.151 334 M CA 0.304 55.747 55.300 0.237 0.000 0.989 334 M CB -0.002 32.715 32.600 0.195 0.000 1.548 334 M HN 0.205 nan 8.290 nan 0.000 0.479 335 Y N -2.941 117.415 120.300 0.093 0.000 3.727 335 Y HA -0.301 4.249 4.550 -0.000 0.000 0.381 335 Y C -0.108 175.811 175.900 0.032 0.000 1.312 335 Y CA 0.326 58.460 58.100 0.058 0.000 1.876 335 Y CB -1.157 37.337 38.460 0.056 0.000 0.856 335 Y HN 0.049 nan 8.280 nan 0.000 0.423 336 L N 2.965 124.300 121.223 0.186 0.000 2.415 336 L HA 0.088 4.428 4.340 -0.000 0.000 0.269 336 L C 0.653 177.572 176.870 0.081 0.000 1.244 336 L CA 0.308 55.210 54.840 0.103 0.000 1.113 336 L CB 0.124 42.222 42.059 0.066 0.000 1.352 336 L HN 0.043 nan 8.230 nan 0.000 0.433 337 K N 2.226 122.680 120.400 0.091 0.000 2.402 337 K HA 0.072 4.392 4.320 -0.000 0.000 0.279 337 K C -0.241 176.391 176.600 0.054 0.000 1.082 337 K CA 0.132 56.461 56.287 0.070 0.000 1.080 337 K CB 0.333 32.886 32.500 0.088 0.000 0.899 337 K HN 0.461 nan 8.250 nan 0.000 0.469 338 S N 3.255 118.977 115.700 0.037 0.000 2.621 338 S HA 0.370 4.840 4.470 -0.000 0.000 0.302 338 S C -0.986 173.625 174.600 0.018 0.000 1.093 338 S CA -0.842 57.374 58.200 0.026 0.000 1.017 338 S CB 1.916 65.127 63.200 0.019 0.000 1.077 338 S HN 0.680 nan 8.310 nan 0.000 0.517 339 E N 1.134 121.342 120.200 0.013 0.000 2.321 339 E HA 0.389 4.739 4.350 -0.000 0.000 0.281 339 E C -1.585 175.017 176.600 0.004 0.000 0.910 339 E CA -0.544 55.861 56.400 0.008 0.000 0.770 339 E CB 1.401 31.107 29.700 0.010 0.000 1.225 339 E HN 0.367 nan 8.360 nan 0.000 0.417 340 V N 4.921 124.835 119.914 -0.000 0.000 2.715 340 V HA 0.148 4.268 4.120 -0.000 0.000 0.299 340 V C 0.565 176.658 176.094 -0.002 0.000 1.054 340 V CA 0.193 62.491 62.300 -0.003 0.000 1.077 340 V CB 0.912 32.731 31.823 -0.005 0.000 0.972 340 V HN 0.611 nan 8.190 nan 0.000 0.484 341 I N 4.760 125.327 120.570 -0.004 0.000 2.317 341 I HA 0.367 4.537 4.170 -0.000 0.000 0.286 341 I C 1.388 177.502 176.117 -0.004 0.000 1.119 341 I CA 0.546 61.844 61.300 -0.003 0.000 1.228 341 I CB 0.030 38.028 38.000 -0.003 0.000 1.476 341 I HN 0.943 nan 8.210 nan 0.000 0.514 342 G N 4.802 113.600 108.800 -0.004 0.000 4.982 342 G HA2 -0.416 3.544 3.960 -0.000 0.000 0.351 342 G HA3 -0.416 3.544 3.960 -0.000 0.000 0.351 342 G C 0.809 175.706 174.900 -0.005 0.000 1.462 342 G CA 0.642 45.739 45.100 -0.004 0.000 1.248 342 G HN 0.738 nan 8.290 nan 0.000 0.842 343 D N 3.094 123.491 120.400 -0.006 0.000 2.490 343 D HA 0.286 4.926 4.640 -0.000 0.000 0.255 343 D C 1.582 177.877 176.300 -0.008 0.000 1.248 343 D CA 1.067 55.063 54.000 -0.007 0.000 0.887 343 D CB -1.085 39.711 40.800 -0.007 0.000 0.978 343 D HN 1.692 nan 8.370 nan 0.000 0.491 344 G N 1.341 110.136 108.800 -0.008 0.000 2.485 344 G HA2 -0.411 3.549 3.960 -0.000 0.000 0.315 344 G HA3 -0.411 3.549 3.960 -0.000 0.000 0.315 344 G C 0.684 175.576 174.900 -0.013 0.000 0.914 344 G CA 1.140 46.234 45.100 -0.010 0.000 0.889 344 G HN 0.612 nan 8.290 nan 0.000 0.512 345 N N -1.578 117.115 118.700 -0.012 0.000 2.607 345 N HA 0.052 4.792 4.740 -0.000 0.000 0.207 345 N C 0.858 176.359 175.510 -0.016 0.000 1.040 345 N CA 0.022 53.063 53.050 -0.014 0.000 0.947 345 N CB 0.465 38.944 38.487 -0.013 0.000 1.293 345 N HN 0.496 nan 8.380 nan 0.000 0.446 346 Q N 0.728 120.520 119.800 -0.013 0.000 2.222 346 Q HA 0.499 4.839 4.340 -0.000 0.000 0.252 346 Q C -0.975 175.018 176.000 -0.012 0.000 0.926 346 Q CA -0.076 55.719 55.803 -0.014 0.000 0.899 346 Q CB 2.712 31.444 28.738 -0.012 0.000 1.250 346 Q HN 0.286 nan 8.270 nan 0.000 0.441 347 I N 1.008 121.570 120.570 -0.013 0.000 2.406 347 I HA 0.258 4.428 4.170 -0.000 0.000 0.290 347 I C -0.302 175.811 176.117 -0.006 0.000 0.999 347 I CA -0.656 60.638 61.300 -0.009 0.000 1.124 347 I CB 1.770 39.763 38.000 -0.012 0.000 1.289 347 I HN 0.573 nan 8.210 nan 0.000 0.441 348 E N 7.108 127.308 120.200 0.001 0.000 2.194 348 E HA 0.457 4.807 4.350 -0.000 0.000 0.284 348 E C -1.115 175.493 176.600 0.013 0.000 1.035 348 E CA -0.459 55.945 56.400 0.006 0.000 0.836 348 E CB 0.969 30.675 29.700 0.011 0.000 1.070 348 E HN 0.469 nan 8.360 nan 0.000 0.401 349 I N 3.783 124.360 120.570 0.012 0.000 2.404 349 I HA 0.235 4.405 4.170 -0.000 0.000 0.293 349 I C 0.014 176.149 176.117 0.031 0.000 0.992 349 I CA -0.615 60.696 61.300 0.019 0.000 1.149 349 I CB 1.759 39.762 38.000 0.005 0.000 1.315 349 I HN 0.510 nan 8.210 nan 0.000 0.446 350 E N 6.113 126.343 120.200 0.051 0.000 2.081 350 E HA 0.365 4.715 4.350 -0.000 0.000 0.276 350 E C -1.107 175.505 176.600 0.020 0.000 0.950 350 E CA -0.915 55.529 56.400 0.074 0.000 0.776 350 E CB 1.029 30.820 29.700 0.152 0.000 1.094 350 E HN 0.383 nan 8.360 nan 0.000 0.402 351 I N 7.856 128.406 120.570 -0.034 0.000 2.347 351 I HA 0.170 4.340 4.170 -0.000 0.000 0.294 351 I C -2.202 173.750 176.117 -0.276 0.000 1.090 351 I CA -2.179 59.060 61.300 -0.102 0.000 1.314 351 I CB 0.567 38.520 38.000 -0.078 0.000 1.423 351 I HN 0.381 nan 8.210 nan 0.000 0.503 352 P HA 0.108 nan 4.420 nan 0.000 0.272 352 P C -1.865 175.186 177.300 -0.416 0.000 1.223 352 P CA -1.138 61.637 63.100 -0.541 0.000 0.784 352 P CB 0.111 31.678 31.700 -0.222 0.000 0.923 353 P HA -0.138 nan 4.420 nan 0.000 0.230 353 P C 0.980 178.128 177.300 -0.253 0.000 1.158 353 P CA 1.351 64.299 63.100 -0.254 0.000 0.769 353 P CB -0.434 31.162 31.700 -0.174 0.000 0.807 354 T N -2.666 111.687 114.554 -0.335 0.000 2.770 354 T HA -0.012 4.338 4.350 -0.000 0.000 0.263 354 T C 1.444 175.987 174.700 -0.261 0.000 1.039 354 T CA 0.462 62.351 62.100 -0.353 0.000 1.142 354 T CB -0.479 68.074 68.868 -0.525 0.000 0.868 354 T HN -0.051 nan 8.240 nan 0.000 0.435 355 R N 2.009 122.346 120.500 -0.272 0.000 2.891 355 R HA 0.536 4.876 4.340 -0.000 0.000 0.248 355 R C 0.682 176.912 176.300 -0.117 0.000 1.439 355 R CA 0.123 56.111 56.100 -0.186 0.000 1.288 355 R CB 0.215 30.419 30.300 -0.159 0.000 1.212 355 R HN 0.521 nan 8.270 nan 0.000 0.605 356 A N 2.060 124.850 122.820 -0.050 0.000 2.251 356 A HA -0.057 4.263 4.320 -0.000 0.000 0.209 356 A C 1.165 178.755 177.584 0.011 0.000 1.187 356 A CA 0.401 52.453 52.037 0.025 0.000 0.823 356 A CB -0.070 19.023 19.000 0.154 0.000 0.846 356 A HN 0.616 nan 8.150 nan 0.000 0.486 357 D N -0.630 119.708 120.400 -0.103 0.000 2.234 357 D HA -0.004 4.636 4.640 -0.000 0.000 0.205 357 D C 0.278 176.531 176.300 -0.079 0.000 0.962 357 D CA 0.096 54.008 54.000 -0.148 0.000 0.855 357 D CB -0.283 40.366 40.800 -0.252 0.000 0.951 357 D HN 0.291 nan 8.370 nan 0.000 0.500 358 I N 1.769 122.299 120.570 -0.067 0.000 2.574 358 I HA 0.006 4.176 4.170 -0.000 0.000 0.291 358 I C 1.024 177.132 176.117 -0.016 0.000 1.131 358 I CA 0.287 61.561 61.300 -0.043 0.000 1.352 358 I CB 0.181 38.152 38.000 -0.048 0.000 1.431 358 I HN 0.277 nan 8.210 nan 0.000 0.543 359 I N 2.401 122.977 120.570 0.010 0.000 4.403 359 I HA 0.373 4.543 4.170 -0.000 0.000 0.331 359 I C 0.182 176.356 176.117 0.095 0.000 1.327 359 I CA -0.095 61.227 61.300 0.038 0.000 1.175 359 I CB 0.348 38.370 38.000 0.036 0.000 1.165 359 I HN 0.445 nan 8.210 nan 0.000 0.413 360 H N 0.560 119.614 119.070 -0.026 0.000 2.928 360 H HA 0.715 5.271 4.556 -0.000 0.000 0.371 360 H C 0.802 176.116 175.328 -0.023 0.000 1.186 360 H CA -0.082 55.952 56.048 -0.023 0.000 1.134 360 H CB 2.192 31.939 29.762 -0.024 0.000 1.824 360 H HN -0.017 nan 8.280 nan 0.000 0.554 361 A N 1.225 123.485 122.820 -0.933 0.000 1.927 361 A HA -0.224 4.096 4.320 -0.000 0.000 0.220 361 A C 2.424 179.753 177.584 -0.424 0.000 1.185 361 A CA 2.100 53.765 52.037 -0.620 0.000 0.639 361 A CB -1.350 17.281 19.000 -0.614 0.000 0.820 361 A HN 0.756 nan 8.150 nan 0.000 0.451 362 C N -0.462 118.562 119.300 -0.459 0.000 2.411 362 C HA -0.110 4.350 4.460 -0.000 0.000 0.279 362 C C 2.258 177.227 174.990 -0.036 0.000 1.288 362 C CA 1.089 60.065 59.018 -0.070 0.000 1.764 362 C CB -1.279 26.561 27.740 0.167 0.000 1.974 362 C HN 0.581 nan 8.230 nan 0.000 0.498 363 D N 0.729 121.108 120.400 -0.034 0.000 2.218 363 D HA -0.080 4.560 4.640 -0.000 0.000 0.204 363 D C 1.980 178.255 176.300 -0.042 0.000 0.976 363 D CA 0.978 54.961 54.000 -0.029 0.000 0.853 363 D CB -0.116 40.669 40.800 -0.024 0.000 0.939 363 D HN 0.377 nan 8.370 nan 0.000 0.481 364 I N 0.778 121.312 120.570 -0.059 0.000 2.202 364 I HA -0.180 3.990 4.170 -0.000 0.000 0.242 364 I C 2.618 178.720 176.117 -0.025 0.000 1.091 364 I CA 0.594 61.868 61.300 -0.042 0.000 1.368 364 I CB -1.255 36.711 38.000 -0.057 0.000 1.058 364 I HN -0.097 nan 8.210 nan 0.000 0.410 365 V N 1.044 120.937 119.914 -0.035 0.000 2.282 365 V HA -0.324 3.796 4.120 -0.000 0.000 0.249 365 V C 2.530 178.631 176.094 0.012 0.000 1.057 365 V CA 2.170 64.459 62.300 -0.018 0.000 1.032 365 V CB -0.929 30.877 31.823 -0.028 0.000 0.645 365 V HN 0.457 nan 8.190 nan 0.000 0.447 366 E N 0.404 120.609 120.200 0.008 0.000 2.013 366 E HA -0.326 4.024 4.350 -0.000 0.000 0.202 366 E C 2.002 178.627 176.600 0.042 0.000 1.018 366 E CA 2.087 58.505 56.400 0.030 0.000 0.834 366 E CB -0.238 29.456 29.700 -0.011 0.000 0.770 366 E HN 0.608 nan 8.360 nan 0.000 0.459 367 D N -0.008 120.393 120.400 0.002 0.000 2.149 367 D HA -0.216 4.423 4.640 -0.000 0.000 0.194 367 D C 1.771 178.115 176.300 0.073 0.000 1.001 367 D CA 1.598 55.604 54.000 0.011 0.000 0.849 367 D CB -0.518 40.289 40.800 0.011 0.000 0.939 367 D HN 0.357 nan 8.370 nan 0.000 0.449 368 A N 0.823 123.683 122.820 0.066 0.000 1.865 368 A HA -0.120 4.200 4.320 -0.000 0.000 0.217 368 A C 2.329 180.001 177.584 0.146 0.000 1.191 368 A CA 2.735 54.822 52.037 0.082 0.000 0.623 368 A CB -0.980 18.040 19.000 0.032 0.000 0.826 368 A HN 0.263 nan 8.150 nan 0.000 0.444 369 A N -0.150 122.768 122.820 0.162 0.000 1.877 369 A HA -0.081 4.239 4.320 -0.000 0.000 0.216 369 A C 2.121 179.926 177.584 0.368 0.000 1.186 369 A CA 1.533 53.737 52.037 0.279 0.000 0.620 369 A CB -0.672 18.478 19.000 0.249 0.000 0.822 369 A HN 0.519 nan 8.150 nan 0.000 0.443 370 I N -0.172 120.544 120.570 0.243 0.000 2.264 370 I HA -0.305 3.865 4.170 -0.000 0.000 0.248 370 I C 2.901 179.148 176.117 0.218 0.000 1.111 370 I CA 1.094 62.425 61.300 0.052 0.000 1.382 370 I CB -0.359 37.553 38.000 -0.146 0.000 1.060 370 I HN 0.371 nan 8.210 nan 0.000 0.418 371 A N 0.001 122.990 122.820 0.283 0.000 1.930 371 A HA -0.255 4.065 4.320 -0.000 0.000 0.217 371 A C 2.258 179.994 177.584 0.252 0.000 1.175 371 A CA 1.257 53.497 52.037 0.339 0.000 0.627 371 A CB -0.875 18.275 19.000 0.249 0.000 0.815 371 A HN 0.503 nan 8.150 nan 0.000 0.443 372 Y N 0.513 120.887 120.300 0.123 0.000 2.439 372 Y HA 0.271 4.821 4.550 -0.000 0.000 0.292 372 Y C 1.112 177.076 175.900 0.107 0.000 1.130 372 Y CA 0.554 58.709 58.100 0.091 0.000 1.254 372 Y CB -0.413 38.097 38.460 0.083 0.000 1.000 372 Y HN 0.578 nan 8.280 nan 0.000 0.554 373 G N -0.149 108.718 108.800 0.111 0.000 3.292 373 G HA2 -0.276 3.684 3.960 -0.000 0.000 0.636 373 G HA3 -0.276 3.684 3.960 -0.000 0.000 0.636 373 G C 0.300 175.282 174.900 0.137 0.000 1.069 373 G CA -0.108 45.015 45.100 0.037 0.000 0.890 373 G HN 0.507 nan 8.290 nan 0.000 0.427 374 Y N 1.097 121.408 120.300 0.018 0.000 2.096 374 Y HA -0.265 4.285 4.550 -0.000 0.000 0.278 374 Y C 2.605 178.514 175.900 0.014 0.000 1.192 374 Y CA 1.480 59.596 58.100 0.027 0.000 1.143 374 Y CB 0.004 38.469 38.460 0.009 0.000 0.963 374 Y HN 0.608 nan 8.280 nan 0.000 0.505 375 N N 0.616 119.423 118.700 0.179 0.000 2.567 375 N HA -0.088 4.652 4.740 -0.000 0.000 0.195 375 N C 0.201 175.720 175.510 0.014 0.000 1.242 375 N CA 0.500 53.604 53.050 0.089 0.000 0.884 375 N CB -0.190 38.347 38.487 0.084 0.000 1.007 375 N HN 0.499 nan 8.380 nan 0.000 0.450 376 N N 0.378 119.052 118.700 -0.043 0.000 2.184 376 N HA 0.199 4.939 4.740 -0.000 0.000 0.206 376 N C 0.093 175.619 175.510 0.026 0.000 1.151 376 N CA -0.043 52.929 53.050 -0.131 0.000 0.878 376 N CB 1.352 39.554 38.487 -0.474 0.000 1.014 376 N HN 0.216 nan 8.380 nan 0.000 0.512 377 I N 1.494 122.126 120.570 0.104 0.000 2.371 377 I HA 0.075 4.245 4.170 -0.000 0.000 0.290 377 I C 0.858 177.024 176.117 0.082 0.000 1.028 377 I CA -0.398 61.001 61.300 0.163 0.000 1.345 377 I CB 1.039 39.110 38.000 0.117 0.000 1.407 377 I HN -0.103 nan 8.210 nan 0.000 0.501 378 Q N 7.334 127.180 119.800 0.078 0.000 2.297 378 Q HA 0.230 4.570 4.340 -0.000 0.000 0.267 378 Q C -0.695 175.319 176.000 0.023 0.000 1.006 378 Q CA -0.409 55.420 55.803 0.043 0.000 0.896 378 Q CB 0.835 29.597 28.738 0.040 0.000 1.186 378 Q HN 0.562 nan 8.270 nan 0.000 0.392 379 M N 3.836 123.445 119.600 0.015 0.000 2.227 379 M HA 0.144 4.624 4.480 -0.000 0.000 0.349 379 M C 0.102 176.404 176.300 0.003 0.000 1.443 379 M CA 0.051 55.354 55.300 0.004 0.000 1.110 379 M CB 0.497 33.100 32.600 0.005 0.000 1.773 379 M HN 0.647 nan 8.290 nan 0.000 0.463 380 T N 1.299 115.851 114.554 -0.003 0.000 2.924 380 T HA 0.727 5.077 4.350 -0.000 0.000 0.291 380 T C -0.619 174.079 174.700 -0.004 0.000 1.045 380 T CA -1.040 61.059 62.100 -0.002 0.000 1.015 380 T CB 1.873 70.738 68.868 -0.005 0.000 1.103 380 T HN 0.656 nan 8.240 nan 0.000 0.496 381 L N 2.877 124.099 121.223 -0.001 0.000 2.319 381 L HA 0.441 4.781 4.340 -0.000 0.000 0.281 381 L C -1.967 174.904 176.870 0.002 0.000 1.005 381 L CA -2.468 52.372 54.840 0.001 0.000 0.828 381 L CB 1.962 44.024 42.059 0.005 0.000 1.227 381 L HN 0.669 nan 8.230 nan 0.000 0.415 382 P HA -0.039 nan 4.420 nan 0.000 0.258 382 P C -0.947 176.361 177.300 0.012 0.000 1.172 382 P CA -0.065 63.036 63.100 0.001 0.000 0.762 382 P CB 0.489 32.186 31.700 -0.005 0.000 0.764 383 K N 2.923 123.332 120.400 0.015 0.000 2.559 383 K HA 0.221 4.541 4.320 -0.000 0.000 0.236 383 K C -0.093 176.531 176.600 0.040 0.000 1.185 383 K CA -0.060 56.243 56.287 0.028 0.000 1.157 383 K CB 0.024 32.536 32.500 0.020 0.000 1.782 383 K HN 0.458 nan 8.250 nan 0.000 0.419 384 T N -0.908 113.674 114.554 0.047 0.000 2.847 384 T HA 0.196 4.546 4.350 -0.000 0.000 0.291 384 T C -0.511 174.242 174.700 0.089 0.000 0.998 384 T CA -0.755 61.379 62.100 0.057 0.000 0.967 384 T CB 0.843 69.724 68.868 0.021 0.000 0.954 384 T HN 0.194 nan 8.240 nan 0.000 0.441 385 Y N 3.876 124.170 120.300 -0.009 0.000 2.442 385 Y HA 0.439 4.989 4.550 -0.000 0.000 0.330 385 Y C 0.377 176.272 175.900 -0.008 0.000 1.129 385 Y CA -0.126 57.969 58.100 -0.008 0.000 1.365 385 Y CB 0.429 38.885 38.460 -0.007 0.000 1.233 385 Y HN 0.876 nan 8.280 nan 0.000 0.529 386 T N 5.815 120.014 114.554 -0.591 0.000 2.971 386 T HA 0.511 4.861 4.350 -0.000 0.000 0.304 386 T C -1.002 173.332 174.700 -0.610 0.000 1.038 386 T CA -0.977 60.839 62.100 -0.473 0.000 1.007 386 T CB 1.086 69.822 68.868 -0.220 0.000 1.055 386 T HN 0.437 nan 8.240 nan 0.000 0.451 387 I N 2.525 122.821 120.570 -0.456 0.000 2.371 387 I HA 0.488 4.658 4.170 -0.000 0.000 0.290 387 I C 1.089 177.107 176.117 -0.165 0.000 1.028 387 I CA -0.627 60.494 61.300 -0.299 0.000 1.345 387 I CB 0.541 38.443 38.000 -0.164 0.000 1.407 387 I HN 0.984 nan 8.210 nan 0.000 0.501 388 A N 7.651 130.399 122.820 -0.118 0.000 2.371 388 A HA 0.498 4.818 4.320 -0.000 0.000 0.257 388 A C 0.027 177.587 177.584 -0.040 0.000 1.089 388 A CA -0.418 51.578 52.037 -0.070 0.000 0.794 388 A CB 0.318 19.290 19.000 -0.048 0.000 1.029 388 A HN 0.820 nan 8.150 nan 0.000 0.488 389 N N 1.055 119.740 118.700 -0.025 0.000 2.336 389 N HA 0.232 4.972 4.740 -0.000 0.000 0.290 389 N C -1.162 174.361 175.510 0.022 0.000 1.058 389 N CA -0.407 52.641 53.050 -0.003 0.000 0.865 389 N CB 1.939 40.421 38.487 -0.009 0.000 1.581 389 N HN 0.772 nan 8.380 nan 0.000 0.480 390 Q N 0.466 120.293 119.800 0.045 0.000 2.318 390 Q HA 0.328 4.668 4.340 -0.000 0.000 0.222 390 Q C -0.439 175.658 176.000 0.161 0.000 1.003 390 Q CA -0.286 55.566 55.803 0.082 0.000 0.936 390 Q CB 1.699 30.474 28.738 0.062 0.000 1.204 390 Q HN 0.528 nan 8.270 nan 0.000 0.524 391 F N 1.857 121.797 119.950 -0.016 0.000 2.421 391 F HA 0.168 4.695 4.527 -0.000 0.000 0.358 391 F C -1.794 173.998 175.800 -0.014 0.000 1.115 391 F CA -2.546 55.443 58.000 -0.019 0.000 1.160 391 F CB 0.999 39.985 39.000 -0.023 0.000 1.123 391 F HN 0.410 nan 8.300 nan 0.000 0.508 392 P HA -0.348 nan 4.420 nan 0.000 0.224 392 P C 1.966 179.150 177.300 -0.193 0.000 1.130 392 P CA 1.930 65.054 63.100 0.041 0.000 0.976 392 P CB 0.096 31.872 31.700 0.127 0.000 0.781 393 L N -1.083 119.808 121.223 -0.552 0.000 1.971 393 L HA -0.256 4.084 4.340 -0.000 0.000 0.215 393 L C 2.183 178.826 176.870 -0.378 0.000 1.072 393 L CA 1.961 56.474 54.840 -0.544 0.000 0.758 393 L CB -0.800 40.731 42.059 -0.879 0.000 0.889 393 L HN 0.074 nan 8.230 nan 0.000 0.433 394 N N -0.181 118.255 118.700 -0.441 0.000 2.205 394 N HA -0.262 4.478 4.740 -0.000 0.000 0.186 394 N C 1.732 177.184 175.510 -0.096 0.000 1.015 394 N CA 1.385 54.317 53.050 -0.197 0.000 0.862 394 N CB -0.138 38.286 38.487 -0.105 0.000 0.986 394 N HN 0.385 nan 8.380 nan 0.000 0.429 395 K N 0.990 121.343 120.400 -0.078 0.000 1.985 395 K HA -0.139 4.181 4.320 -0.000 0.000 0.210 395 K C 2.135 178.716 176.600 -0.031 0.000 1.047 395 K CA 0.844 57.115 56.287 -0.026 0.000 0.932 395 K CB -0.251 32.244 32.500 -0.007 0.000 0.716 395 K HN -0.024 nan 8.250 nan 0.000 0.439 396 L N 1.521 122.711 121.223 -0.055 0.000 1.990 396 L HA -0.219 4.121 4.340 -0.000 0.000 0.213 396 L C 2.009 178.849 176.870 -0.049 0.000 1.072 396 L CA 2.263 57.074 54.840 -0.049 0.000 0.755 396 L CB -1.168 40.855 42.059 -0.059 0.000 0.889 396 L HN 0.271 nan 8.230 nan 0.000 0.432 397 T N -0.672 113.842 114.554 -0.066 0.000 2.635 397 T HA -0.274 4.076 4.350 -0.000 0.000 0.267 397 T C 1.757 176.441 174.700 -0.025 0.000 1.040 397 T CA 1.748 63.818 62.100 -0.051 0.000 1.156 397 T CB -0.375 68.454 68.868 -0.065 0.000 0.863 397 T HN 0.415 nan 8.240 nan 0.000 0.430 398 E N 0.654 120.845 120.200 -0.015 0.000 2.171 398 E HA -0.082 4.268 4.350 -0.000 0.000 0.197 398 E C 1.949 178.596 176.600 0.078 0.000 0.997 398 E CA 0.919 57.329 56.400 0.017 0.000 0.810 398 E CB -0.432 29.293 29.700 0.042 0.000 0.738 398 E HN 0.491 nan 8.360 nan 0.000 0.467 399 L N -0.633 120.623 121.223 0.055 0.000 2.049 399 L HA -0.092 4.248 4.340 -0.000 0.000 0.203 399 L C 2.420 179.306 176.870 0.027 0.000 1.074 399 L CA 0.754 55.635 54.840 0.069 0.000 0.749 399 L CB -0.468 41.599 42.059 0.014 0.000 0.907 399 L HN 0.176 nan 8.230 nan 0.000 0.439 400 L N -0.484 120.716 121.223 -0.038 0.000 2.013 400 L HA -0.265 4.075 4.340 -0.000 0.000 0.212 400 L C 2.917 179.717 176.870 -0.116 0.000 1.073 400 L CA 1.384 56.162 54.840 -0.103 0.000 0.753 400 L CB -0.724 41.261 42.059 -0.123 0.000 0.890 400 L HN 0.258 nan 8.230 nan 0.000 0.432 401 R N -0.803 119.669 120.500 -0.047 0.000 2.112 401 R HA -0.208 4.132 4.340 -0.000 0.000 0.242 401 R C 2.252 178.515 176.300 -0.060 0.000 1.137 401 R CA 1.614 57.717 56.100 0.005 0.000 0.944 401 R CB -0.837 29.455 30.300 -0.014 0.000 0.857 401 R HN 0.504 nan 8.270 nan 0.000 0.435 402 H N 0.100 119.169 119.070 -0.001 0.000 2.489 402 H HA -0.068 4.488 4.556 -0.000 0.000 0.293 402 H C 1.414 176.711 175.328 -0.051 0.000 1.066 402 H CA 1.107 57.150 56.048 -0.008 0.000 1.305 402 H CB 0.086 29.842 29.762 -0.010 0.000 1.386 402 H HN 0.280 nan 8.280 nan 0.000 0.551 403 D N -0.416 119.982 120.400 -0.004 0.000 2.277 403 D HA -0.050 4.590 4.640 -0.000 0.000 0.209 403 D C 2.223 178.413 176.300 -0.184 0.000 0.970 403 D CA 0.090 54.043 54.000 -0.079 0.000 0.874 403 D CB 0.331 41.069 40.800 -0.104 0.000 0.982 403 D HN 0.182 nan 8.370 nan 0.000 0.504 404 M N 0.945 120.329 119.600 -0.360 0.000 2.159 404 M HA -0.078 4.402 4.480 -0.000 0.000 0.263 404 M C 2.303 178.420 176.300 -0.305 0.000 1.063 404 M CA 0.712 55.624 55.300 -0.648 0.000 1.110 404 M CB -1.014 30.614 32.600 -1.620 0.000 1.374 404 M HN -0.073 nan 8.290 nan 0.000 0.411 405 A N 0.108 122.864 122.820 -0.108 0.000 1.898 405 A HA 0.039 4.359 4.320 -0.000 0.000 0.216 405 A C 2.435 180.066 177.584 0.079 0.000 1.181 405 A CA 1.951 54.048 52.037 0.100 0.000 0.620 405 A CB -0.866 18.217 19.000 0.139 0.000 0.819 405 A HN 0.469 nan 8.150 nan 0.000 0.442 406 A N -0.109 122.732 122.820 0.036 0.000 1.933 406 A HA 0.206 4.526 4.320 -0.000 0.000 0.218 406 A C 2.127 179.735 177.584 0.039 0.000 1.175 406 A CA 1.678 53.735 52.037 0.034 0.000 0.628 406 A CB -0.828 18.178 19.000 0.010 0.000 0.814 406 A HN 1.152 nan 8.150 nan 0.000 0.444 407 A N -1.199 121.633 122.820 0.020 0.000 2.281 407 A HA 0.420 4.740 4.320 -0.000 0.000 0.231 407 A C 1.693 179.426 177.584 0.247 0.000 1.317 407 A CA 1.025 53.103 52.037 0.069 0.000 0.959 407 A CB -1.531 17.439 19.000 -0.050 0.000 0.900 407 A HN 1.890 nan 8.150 nan 0.000 0.497 408 G N -1.762 107.156 108.800 0.196 0.000 2.189 408 G HA2 -0.303 3.657 3.960 -0.000 0.000 0.267 408 G HA3 -0.303 3.657 3.960 -0.000 0.000 0.267 408 G C 0.024 175.057 174.900 0.222 0.000 0.975 408 G CA 0.578 45.790 45.100 0.188 0.000 0.644 408 G HN 0.368 nan 8.290 nan 0.000 0.537 409 F N 0.814 120.801 119.950 0.062 0.000 2.370 409 F HA 0.654 5.181 4.527 -0.000 0.000 0.319 409 F C 1.044 177.017 175.800 0.288 0.000 1.129 409 F CA -0.193 57.906 58.000 0.164 0.000 1.109 409 F CB 1.492 40.592 39.000 0.168 0.000 1.262 409 F HN -0.081 nan 8.300 nan 0.000 0.534 410 T N 1.079 115.884 114.554 0.418 0.000 2.807 410 T HA 0.213 4.563 4.350 -0.000 0.000 0.279 410 T C -0.671 174.020 174.700 -0.016 0.000 0.993 410 T CA -0.742 61.487 62.100 0.214 0.000 0.970 410 T CB 1.243 70.138 68.868 0.046 0.000 0.950 410 T HN 0.516 nan 8.240 nan 0.000 0.441 411 E N 1.861 121.881 120.200 -0.301 0.000 2.313 411 E HA 0.565 4.915 4.350 -0.000 0.000 0.276 411 E C -0.395 175.962 176.600 -0.405 0.000 1.031 411 E CA -0.548 55.368 56.400 -0.807 0.000 0.857 411 E CB 0.675 29.950 29.700 -0.709 0.000 1.040 411 E HN 0.722 nan 8.360 nan 0.000 0.408 412 A N 4.201 126.784 122.820 -0.394 0.000 2.392 412 A HA 0.639 4.959 4.320 -0.000 0.000 0.283 412 A C -0.920 176.541 177.584 -0.206 0.000 1.197 412 A CA -0.781 51.119 52.037 -0.228 0.000 0.895 412 A CB 1.108 20.007 19.000 -0.168 0.000 1.400 412 A HN 0.649 nan 8.150 nan 0.000 0.461 413 L N 1.076 122.201 121.223 -0.164 0.000 2.551 413 L HA 0.254 4.594 4.340 -0.000 0.000 0.248 413 L C -0.379 176.372 176.870 -0.199 0.000 1.509 413 L CA -0.188 54.540 54.840 -0.185 0.000 0.842 413 L CB 0.824 42.761 42.059 -0.202 0.000 1.087 413 L HN 0.834 nan 8.230 nan 0.000 0.512 414 T N 0.641 115.124 114.554 -0.119 0.000 2.906 414 T HA 0.137 4.487 4.350 -0.000 0.000 0.320 414 T C 0.064 174.724 174.700 -0.066 0.000 1.088 414 T CA 0.374 62.456 62.100 -0.030 0.000 1.120 414 T CB 0.353 69.231 68.868 0.016 0.000 1.000 414 T HN 0.023 nan 8.240 nan 0.000 0.550 415 F N 0.354 120.318 119.950 0.023 0.000 2.380 415 F HA 0.456 4.983 4.527 -0.000 0.000 0.325 415 F C 1.337 177.164 175.800 0.045 0.000 1.136 415 F CA -0.713 57.313 58.000 0.042 0.000 1.171 415 F CB 0.592 39.639 39.000 0.078 0.000 1.230 415 F HN 0.647 nan 8.300 nan 0.000 0.554 416 A N 2.167 125.122 122.820 0.226 0.000 2.178 416 A HA 0.298 4.618 4.320 -0.000 0.000 0.211 416 A C 0.333 178.010 177.584 0.156 0.000 1.157 416 A CA 0.388 52.509 52.037 0.140 0.000 0.780 416 A CB -0.403 18.645 19.000 0.080 0.000 0.828 416 A HN 0.534 nan 8.150 nan 0.000 0.476 417 L N -0.418 120.938 121.223 0.223 0.000 2.330 417 L HA 0.623 4.963 4.340 -0.000 0.000 0.271 417 L C -0.031 176.971 176.870 0.221 0.000 1.013 417 L CA -0.835 54.132 54.840 0.212 0.000 0.816 417 L CB 1.890 44.088 42.059 0.232 0.000 1.287 417 L HN 0.563 nan 8.230 nan 0.000 0.435 418 C N -1.463 117.948 119.300 0.185 0.000 3.253 418 C HA 0.527 4.987 4.460 -0.000 0.000 0.361 418 C C -0.268 174.779 174.990 0.096 0.000 1.498 418 C CA -0.992 58.098 59.018 0.120 0.000 1.163 418 C CB 1.090 28.898 27.740 0.114 0.000 1.687 418 C HN 0.819 nan 8.230 nan 0.000 0.430 419 S N 0.369 116.101 115.700 0.054 0.000 2.554 419 S HA 0.389 4.859 4.470 -0.000 0.000 0.278 419 S C 0.626 175.263 174.600 0.062 0.000 1.242 419 S CA -0.242 57.985 58.200 0.044 0.000 1.051 419 S CB 1.164 64.362 63.200 -0.004 0.000 0.986 419 S HN 0.886 nan 8.310 nan 0.000 0.502 420 Q N 1.692 121.539 119.800 0.078 0.000 2.118 420 Q HA -0.295 4.045 4.340 -0.000 0.000 0.211 420 Q C 2.036 178.073 176.000 0.062 0.000 0.998 420 Q CA 2.246 58.104 55.803 0.091 0.000 0.872 420 Q CB -0.593 28.217 28.738 0.119 0.000 0.925 420 Q HN 1.035 nan 8.270 nan 0.000 0.414 421 E N 0.901 121.118 120.200 0.027 0.000 2.273 421 E HA -0.235 4.115 4.350 -0.000 0.000 0.198 421 E C 1.070 177.665 176.600 -0.010 0.000 1.002 421 E CA 1.380 57.775 56.400 -0.009 0.000 0.828 421 E CB -0.135 29.532 29.700 -0.053 0.000 0.747 421 E HN 0.332 nan 8.360 nan 0.000 0.491 422 D N 1.161 121.585 120.400 0.040 0.000 2.183 422 D HA -0.069 4.571 4.640 -0.000 0.000 0.203 422 D C 1.705 178.138 176.300 0.221 0.000 0.969 422 D CA 1.223 55.309 54.000 0.143 0.000 0.842 422 D CB 0.126 41.027 40.800 0.168 0.000 0.957 422 D HN 0.505 nan 8.370 nan 0.000 0.484 423 I N -3.692 116.961 120.570 0.138 0.000 3.856 423 I HA 0.532 4.702 4.170 -0.000 0.000 0.330 423 I C 0.650 176.826 176.117 0.098 0.000 1.546 423 I CA -0.423 60.951 61.300 0.123 0.000 1.132 423 I CB 1.097 39.152 38.000 0.092 0.000 1.157 423 I HN -0.166 nan 8.210 nan 0.000 0.440 424 A N 0.525 123.399 122.820 0.091 0.000 1.663 424 A HA 0.277 4.597 4.320 -0.000 0.000 0.152 424 A C 1.106 178.726 177.584 0.060 0.000 1.634 424 A CA 0.560 52.641 52.037 0.072 0.000 1.780 424 A CB -0.587 18.453 19.000 0.066 0.000 1.649 424 A HN 0.206 nan 8.150 nan 0.000 1.147 425 D N 1.074 121.496 120.400 0.036 0.000 2.126 425 D HA -0.169 4.471 4.640 -0.000 0.000 0.190 425 D C 1.457 177.760 176.300 0.005 0.000 1.001 425 D CA 1.887 55.896 54.000 0.014 0.000 0.841 425 D CB -0.218 40.577 40.800 -0.009 0.000 0.949 425 D HN 0.488 nan 8.370 nan 0.000 0.446 426 K N -0.295 120.085 120.400 -0.034 0.000 2.519 426 K HA 0.015 4.335 4.320 -0.000 0.000 0.196 426 K C 1.221 177.895 176.600 0.123 0.000 1.041 426 K CA 0.441 56.679 56.287 -0.081 0.000 0.954 426 K CB 0.116 32.347 32.500 -0.448 0.000 0.774 426 K HN 0.251 nan 8.250 nan 0.000 0.480 427 L N -0.937 120.368 121.223 0.136 0.000 2.766 427 L HA 0.220 4.560 4.340 -0.000 0.000 0.242 427 L C 0.781 177.712 176.870 0.102 0.000 1.136 427 L CA -0.077 54.849 54.840 0.144 0.000 0.933 427 L CB 0.756 42.896 42.059 0.135 0.000 1.241 427 L HN 0.268 nan 8.230 nan 0.000 0.522 428 G N 0.948 109.800 108.800 0.086 0.000 2.149 428 G HA2 -0.202 3.758 3.960 -0.000 0.000 0.235 428 G HA3 -0.202 3.758 3.960 -0.000 0.000 0.235 428 G C -0.207 174.726 174.900 0.056 0.000 1.018 428 G CA 0.116 45.258 45.100 0.069 0.000 0.728 428 G HN 0.117 nan 8.290 nan 0.000 0.508 429 V N -0.357 119.591 119.914 0.057 0.000 3.007 429 V HA 0.566 4.686 4.120 -0.000 0.000 0.311 429 V C -0.328 175.795 176.094 0.048 0.000 1.120 429 V CA -1.254 61.077 62.300 0.051 0.000 0.980 429 V CB 2.078 33.935 31.823 0.058 0.000 1.033 429 V HN 0.284 nan 8.190 nan 0.000 0.429 430 D N 1.382 121.808 120.400 0.043 0.000 2.304 430 D HA 0.231 4.871 4.640 -0.000 0.000 0.250 430 D C 0.885 177.219 176.300 0.055 0.000 1.107 430 D CA -0.271 53.755 54.000 0.043 0.000 0.885 430 D CB 1.673 42.495 40.800 0.036 0.000 1.192 430 D HN 0.403 nan 8.370 nan 0.000 0.436 431 I N 2.509 123.119 120.570 0.067 0.000 2.908 431 I HA -0.250 3.920 4.170 -0.000 0.000 0.271 431 I C 2.215 178.399 176.117 0.112 0.000 1.275 431 I CA 0.793 62.153 61.300 0.099 0.000 1.446 431 I CB -0.855 37.226 38.000 0.135 0.000 1.092 431 I HN 0.286 nan 8.210 nan 0.000 0.482 432 S N -0.174 115.573 115.700 0.079 0.000 2.548 432 S HA 0.362 4.832 4.470 -0.000 0.000 0.215 432 S C 1.517 176.151 174.600 0.057 0.000 0.976 432 S CA 0.203 58.447 58.200 0.073 0.000 0.908 432 S CB 0.042 63.273 63.200 0.051 0.000 0.781 432 S HN 0.359 nan 8.310 nan 0.000 0.519 433 A N 1.396 124.246 122.820 0.050 0.000 2.594 433 A HA 0.449 4.769 4.320 -0.000 0.000 0.287 433 A C 1.496 179.100 177.584 0.033 0.000 1.227 433 A CA 0.263 52.322 52.037 0.038 0.000 0.952 433 A CB -0.372 18.648 19.000 0.034 0.000 1.161 433 A HN 0.544 nan 8.150 nan 0.000 0.524 434 T N -3.609 110.966 114.554 0.035 0.000 3.022 434 T HA 0.147 4.497 4.350 -0.000 0.000 0.250 434 T C 0.876 175.578 174.700 0.003 0.000 1.060 434 T CA 0.462 62.576 62.100 0.023 0.000 1.013 434 T CB -0.092 68.793 68.868 0.028 0.000 0.982 434 T HN 0.284 nan 8.240 nan 0.000 0.508 435 K N 0.448 120.852 120.400 0.007 0.000 3.407 435 K HA -0.133 4.187 4.320 -0.000 0.000 0.312 435 K C 0.608 177.191 176.600 -0.028 0.000 1.302 435 K CA 0.726 57.011 56.287 -0.002 0.000 0.931 435 K CB -2.597 29.896 32.500 -0.011 0.000 1.257 435 K HN 0.763 nan 8.250 nan 0.000 0.454 436 A N 0.898 123.681 122.820 -0.060 0.000 2.448 436 A HA 0.374 4.694 4.320 -0.000 0.000 0.239 436 A C 0.656 178.095 177.584 -0.243 0.000 1.080 436 A CA -0.060 51.893 52.037 -0.139 0.000 0.779 436 A CB 0.567 19.462 19.000 -0.174 0.000 1.026 436 A HN 0.080 nan 8.150 nan 0.000 0.499 437 V N 3.041 122.820 119.914 -0.224 0.000 2.472 437 V HA 0.304 4.424 4.120 -0.000 0.000 0.290 437 V C -0.171 175.756 176.094 -0.279 0.000 1.037 437 V CA -0.534 61.656 62.300 -0.183 0.000 0.908 437 V CB 1.200 32.990 31.823 -0.055 0.000 0.985 437 V HN 0.872 nan 8.190 nan 0.000 0.454 438 H N 4.086 123.177 119.070 0.036 0.000 2.467 438 H HA 0.476 5.032 4.556 -0.000 0.000 0.326 438 H C -0.568 174.780 175.328 0.033 0.000 1.094 438 H CA -0.597 55.473 56.048 0.037 0.000 1.253 438 H CB 1.871 31.652 29.762 0.032 0.000 1.439 438 H HN 0.400 nan 8.280 nan 0.000 0.479 439 I N 1.562 122.225 120.570 0.154 0.000 2.474 439 I HA -0.025 4.145 4.170 -0.000 0.000 0.287 439 I C 1.082 177.255 176.117 0.093 0.000 1.048 439 I CA 0.185 61.543 61.300 0.097 0.000 1.383 439 I CB 1.020 39.069 38.000 0.081 0.000 1.412 439 I HN 0.406 nan 8.210 nan 0.000 0.531 440 S N 4.894 120.631 115.700 0.061 0.000 2.548 440 S HA 0.221 4.691 4.470 -0.000 0.000 0.277 440 S C 0.330 174.956 174.600 0.043 0.000 1.315 440 S CA -0.324 57.904 58.200 0.047 0.000 1.050 440 S CB -0.316 62.903 63.200 0.032 0.000 0.918 440 S HN 0.698 nan 8.310 nan 0.000 0.497 441 N N 2.367 121.090 118.700 0.040 0.000 2.678 441 N HA -0.109 4.631 4.740 -0.000 0.000 0.268 441 N C -2.611 172.935 175.510 0.060 0.000 1.010 441 N CA 0.817 53.891 53.050 0.040 0.000 0.784 441 N CB -0.874 37.630 38.487 0.028 0.000 0.905 441 N HN 0.532 nan 8.380 nan 0.000 0.552 442 P HA 0.048 nan 4.420 nan 0.000 0.276 442 P C 0.517 177.907 177.300 0.151 0.000 1.230 442 P CA -0.118 63.070 63.100 0.147 0.000 0.776 442 P CB 1.272 33.078 31.700 0.177 0.000 0.888 443 K N 0.738 121.274 120.400 0.227 0.000 1.970 443 K HA -0.079 4.241 4.320 -0.000 0.000 0.225 443 K C 1.406 178.049 176.600 0.071 0.000 1.045 443 K CA 1.485 57.873 56.287 0.168 0.000 1.002 443 K CB -0.733 31.919 32.500 0.254 0.000 0.743 443 K HN 0.499 nan 8.250 nan 0.000 0.445 444 T N -1.250 113.289 114.554 -0.026 0.000 2.770 444 T HA 0.291 4.641 4.350 -0.000 0.000 0.281 444 T C 1.030 175.631 174.700 -0.165 0.000 0.981 444 T CA 0.093 62.063 62.100 -0.216 0.000 0.955 444 T CB 1.280 69.840 68.868 -0.512 0.000 1.060 444 T HN 0.303 nan 8.240 nan 0.000 0.531 445 A N 0.526 123.243 122.820 -0.171 0.000 2.014 445 A HA 0.065 4.385 4.320 -0.000 0.000 0.218 445 A C 1.499 179.020 177.584 -0.105 0.000 1.163 445 A CA 1.179 53.158 52.037 -0.098 0.000 0.652 445 A CB -0.481 18.467 19.000 -0.087 0.000 0.808 445 A HN 0.912 nan 8.150 nan 0.000 0.449 446 E N -1.100 118.952 120.200 -0.246 0.000 2.303 446 E HA 0.226 4.576 4.350 -0.000 0.000 0.211 446 E C -0.437 176.111 176.600 -0.086 0.000 1.223 446 E CA -0.112 56.163 56.400 -0.208 0.000 1.344 446 E CB -0.532 28.991 29.700 -0.295 0.000 1.299 446 E HN 0.727 nan 8.360 nan 0.000 0.441 447 F N 0.132 120.079 119.950 -0.006 0.000 2.856 447 F HA 0.170 4.697 4.527 -0.000 0.000 0.333 447 F C 1.508 177.325 175.800 0.029 0.000 1.200 447 F CA -0.448 57.555 58.000 0.006 0.000 1.128 447 F CB 0.832 39.830 39.000 -0.002 0.000 1.172 447 F HN 0.010 nan 8.300 nan 0.000 0.511 448 Q N 0.191 120.115 119.800 0.206 0.000 2.089 448 Q HA 0.055 4.395 4.340 -0.000 0.000 0.195 448 Q C 0.390 176.496 176.000 0.177 0.000 0.963 448 Q CA 0.993 56.901 55.803 0.175 0.000 0.834 448 Q CB 0.610 29.436 28.738 0.146 0.000 0.906 448 Q HN 0.122 nan 8.270 nan 0.000 0.452 449 V N -0.465 119.529 119.914 0.132 0.000 3.074 449 V HA 0.670 4.790 4.120 -0.000 0.000 0.314 449 V C -1.044 175.084 176.094 0.058 0.000 1.117 449 V CA -1.132 61.197 62.300 0.050 0.000 1.014 449 V CB 1.843 33.663 31.823 -0.006 0.000 1.057 449 V HN 0.171 nan 8.190 nan 0.000 0.438 450 A N 1.969 124.800 122.820 0.018 0.000 2.292 450 A HA 0.665 4.985 4.320 -0.000 0.000 0.319 450 A C 0.290 177.899 177.584 0.042 0.000 1.206 450 A CA -0.646 51.416 52.037 0.042 0.000 0.835 450 A CB 0.340 19.355 19.000 0.026 0.000 1.164 450 A HN 0.832 nan 8.150 nan 0.000 0.505 451 R N 1.176 121.719 120.500 0.071 0.000 2.442 451 R HA -0.069 4.271 4.340 -0.000 0.000 0.274 451 R C 0.003 176.343 176.300 0.067 0.000 0.944 451 R CA 1.175 57.321 56.100 0.077 0.000 1.097 451 R CB -0.073 30.279 30.300 0.087 0.000 0.847 451 R HN 0.748 nan 8.270 nan 0.000 0.430 452 T N -0.570 114.030 114.554 0.076 0.000 3.041 452 T HA 0.074 4.424 4.350 -0.000 0.000 0.276 452 T C 0.022 174.789 174.700 0.112 0.000 0.948 452 T CA 0.417 62.561 62.100 0.073 0.000 0.885 452 T CB 0.682 69.576 68.868 0.044 0.000 1.175 452 T HN 0.740 nan 8.240 nan 0.000 0.529 453 T N 0.280 114.905 114.554 0.119 0.000 2.827 453 T HA 0.417 4.767 4.350 -0.000 0.000 0.328 453 T C -0.867 173.897 174.700 0.105 0.000 1.598 453 T CA -0.658 61.517 62.100 0.124 0.000 1.043 453 T CB 0.728 69.637 68.868 0.068 0.000 1.447 453 T HN -0.212 nan 8.240 nan 0.000 0.491 454 L N 3.166 124.449 121.223 0.100 0.000 2.554 454 L HA 0.268 4.608 4.340 -0.000 0.000 0.225 454 L C 2.322 179.204 176.870 0.021 0.000 1.104 454 L CA 0.329 55.211 54.840 0.069 0.000 0.866 454 L CB -1.309 40.800 42.059 0.083 0.000 1.047 454 L HN 0.630 nan 8.230 nan 0.000 0.468 455 L N 1.589 122.816 121.223 0.005 0.000 1.990 455 L HA -0.148 4.192 4.340 -0.000 0.000 0.213 455 L C -0.180 176.590 176.870 -0.167 0.000 1.072 455 L CA 2.381 57.186 54.840 -0.059 0.000 0.755 455 L CB -1.536 40.489 42.059 -0.057 0.000 0.889 455 L HN 0.148 nan 8.230 nan 0.000 0.432 456 P HA -0.151 nan 4.420 nan 0.000 0.208 456 P C 1.694 178.893 177.300 -0.168 0.000 1.180 456 P CA 1.942 64.905 63.100 -0.228 0.000 0.935 456 P CB -0.487 31.251 31.700 0.062 0.000 0.785 457 G N -0.240 108.550 108.800 -0.018 0.000 2.556 457 G HA2 -0.315 3.645 3.960 -0.000 0.000 0.220 457 G HA3 -0.315 3.645 3.960 -0.000 0.000 0.220 457 G C 1.604 176.478 174.900 -0.043 0.000 1.156 457 G CA 1.070 46.180 45.100 0.016 0.000 0.766 457 G HN 0.209 nan 8.290 nan 0.000 0.583 458 L N -0.686 120.494 121.223 -0.073 0.000 2.012 458 L HA -0.117 4.223 4.340 -0.000 0.000 0.210 458 L C 2.908 179.693 176.870 -0.142 0.000 1.073 458 L CA 0.633 55.422 54.840 -0.085 0.000 0.748 458 L CB -0.407 41.621 42.059 -0.052 0.000 0.891 458 L HN 0.172 nan 8.230 nan 0.000 0.431 459 L N -0.082 121.003 121.223 -0.229 0.000 1.970 459 L HA -0.261 4.079 4.340 -0.000 0.000 0.212 459 L C 2.465 179.220 176.870 -0.192 0.000 1.071 459 L CA 1.821 56.485 54.840 -0.294 0.000 0.751 459 L CB -0.902 40.796 42.059 -0.601 0.000 0.889 459 L HN 0.157 nan 8.230 nan 0.000 0.432 460 K N -1.296 119.032 120.400 -0.119 0.000 2.228 460 K HA -0.203 4.117 4.320 -0.000 0.000 0.205 460 K C 1.903 178.487 176.600 -0.025 0.000 1.045 460 K CA 1.774 58.070 56.287 0.015 0.000 0.931 460 K CB -0.531 32.020 32.500 0.085 0.000 0.727 460 K HN 0.392 nan 8.250 nan 0.000 0.458 461 T N 1.517 116.033 114.554 -0.062 0.000 2.812 461 T HA -0.028 4.322 4.350 -0.000 0.000 0.264 461 T C 1.918 176.547 174.700 -0.119 0.000 1.042 461 T CA 0.977 63.036 62.100 -0.068 0.000 1.140 461 T CB -0.147 68.676 68.868 -0.075 0.000 0.870 461 T HN 0.149 nan 8.240 nan 0.000 0.445 462 I N 1.703 122.154 120.570 -0.197 0.000 2.179 462 I HA -0.181 3.989 4.170 -0.000 0.000 0.242 462 I C 2.982 178.948 176.117 -0.253 0.000 1.088 462 I CA 1.129 62.233 61.300 -0.327 0.000 1.357 462 I CB -0.637 36.993 38.000 -0.617 0.000 1.051 462 I HN 0.168 nan 8.210 nan 0.000 0.409 463 A N 0.986 123.704 122.820 -0.170 0.000 1.917 463 A HA -0.221 4.099 4.320 -0.000 0.000 0.219 463 A C 2.424 179.976 177.584 -0.053 0.000 1.182 463 A CA 2.216 54.207 52.037 -0.077 0.000 0.633 463 A CB -0.842 18.157 19.000 -0.003 0.000 0.819 463 A HN 0.477 nan 8.150 nan 0.000 0.448 464 A N -1.352 121.438 122.820 -0.050 0.000 2.208 464 A HA 0.076 4.396 4.320 -0.000 0.000 0.209 464 A C 1.128 178.687 177.584 -0.041 0.000 1.161 464 A CA 0.567 52.585 52.037 -0.032 0.000 0.782 464 A CB -0.170 18.821 19.000 -0.015 0.000 0.816 464 A HN 0.479 nan 8.150 nan 0.000 0.477 465 N N -0.034 118.625 118.700 -0.069 0.000 2.467 465 N HA 0.098 4.838 4.740 -0.000 0.000 0.278 465 N C 0.592 176.065 175.510 -0.062 0.000 1.306 465 N CA -0.145 52.866 53.050 -0.065 0.000 0.905 465 N CB 0.408 38.846 38.487 -0.081 0.000 1.236 465 N HN 0.503 nan 8.380 nan 0.000 0.509 466 R N 0.943 121.418 120.500 -0.043 0.000 2.127 466 R HA -0.159 4.181 4.340 -0.000 0.000 0.238 466 R C 1.678 177.979 176.300 0.001 0.000 1.134 466 R CA 1.102 57.196 56.100 -0.010 0.000 0.975 466 R CB -0.354 29.951 30.300 0.007 0.000 0.865 466 R HN 0.314 nan 8.270 nan 0.000 0.447 467 K N 0.114 120.509 120.400 -0.009 0.000 2.442 467 K HA -0.009 4.311 4.320 -0.000 0.000 0.198 467 K C 0.455 177.050 176.600 -0.009 0.000 1.044 467 K CA 0.637 56.920 56.287 -0.006 0.000 0.948 467 K CB 0.010 32.505 32.500 -0.009 0.000 0.762 467 K HN 0.027 nan 8.250 nan 0.000 0.472 468 M N 2.321 121.912 119.600 -0.016 0.000 2.211 468 M HA 0.275 4.755 4.480 -0.000 0.000 0.356 468 M C -2.055 174.239 176.300 -0.011 0.000 1.216 468 M CA -2.879 52.408 55.300 -0.021 0.000 1.134 468 M CB 0.065 32.640 32.600 -0.041 0.000 1.564 468 M HN -0.144 nan 8.290 nan 0.000 0.463 469 P HA -0.033 nan 4.420 nan 0.000 0.271 469 P C 1.127 178.416 177.300 -0.019 0.000 1.212 469 P CA -0.087 63.003 63.100 -0.016 0.000 0.788 469 P CB 0.393 32.080 31.700 -0.022 0.000 0.865 470 L N 0.104 121.315 121.223 -0.020 0.000 2.350 470 L HA -0.207 4.133 4.340 -0.000 0.000 0.250 470 L C -1.067 175.768 176.870 -0.058 0.000 1.109 470 L CA 1.794 56.617 54.840 -0.029 0.000 0.820 470 L CB -2.228 39.815 42.059 -0.026 0.000 0.977 470 L HN 0.501 nan 8.230 nan 0.000 0.423 471 P HA 0.289 nan 4.420 nan 0.000 0.303 471 P C -1.221 175.919 177.300 -0.267 0.000 1.350 471 P CA -0.215 62.731 63.100 -0.256 0.000 0.880 471 P CB 1.340 32.813 31.700 -0.378 0.000 1.018 472 L N 4.227 125.319 121.223 -0.218 0.000 2.276 472 L HA 0.363 4.703 4.340 -0.000 0.000 0.286 472 L C 0.837 177.510 176.870 -0.328 0.000 1.061 472 L CA -0.263 54.459 54.840 -0.197 0.000 0.807 472 L CB 0.895 42.887 42.059 -0.112 0.000 1.177 472 L HN 0.272 nan 8.230 nan 0.000 0.429 473 K N 5.062 125.239 120.400 -0.372 0.000 2.530 473 K HA 0.447 4.767 4.320 -0.000 0.000 0.230 473 K C -1.296 175.151 176.600 -0.255 0.000 1.002 473 K CA -0.712 55.205 56.287 -0.617 0.000 1.014 473 K CB 1.414 33.203 32.500 -1.184 0.000 1.286 473 K HN 0.255 nan 8.250 nan 0.000 0.480 474 L N 3.090 124.326 121.223 0.022 0.000 2.352 474 L HA 0.642 4.982 4.340 -0.000 0.000 0.269 474 L C -0.413 176.729 176.870 0.453 0.000 1.034 474 L CA -0.570 54.374 54.840 0.172 0.000 0.806 474 L CB 0.585 42.659 42.059 0.025 0.000 1.244 474 L HN 0.511 nan 8.230 nan 0.000 0.447 475 F N -0.756 119.299 119.950 0.175 0.000 2.719 475 F HA 0.763 5.290 4.527 -0.000 0.000 0.309 475 F C -1.242 174.588 175.800 0.049 0.000 1.138 475 F CA -0.738 57.338 58.000 0.127 0.000 0.943 475 F CB 1.507 40.581 39.000 0.123 0.000 1.304 475 F HN 0.528 nan 8.300 nan 0.000 0.445 476 E N 2.284 122.478 120.200 -0.010 0.000 2.378 476 E HA 0.570 4.920 4.350 -0.000 0.000 0.283 476 E C -1.967 174.697 176.600 0.106 0.000 0.979 476 E CA -0.760 55.535 56.400 -0.174 0.000 0.795 476 E CB 2.510 32.124 29.700 -0.143 0.000 1.221 476 E HN 0.763 nan 8.360 nan 0.000 0.428 477 I N 2.760 123.379 120.570 0.083 0.000 2.502 477 I HA 0.353 4.523 4.170 -0.000 0.000 0.276 477 I C -0.344 175.789 176.117 0.027 0.000 1.057 477 I CA -0.174 61.184 61.300 0.098 0.000 1.163 477 I CB 1.326 39.396 38.000 0.116 0.000 1.288 477 I HN 0.258 nan 8.210 nan 0.000 0.479 478 S N 2.698 118.412 115.700 0.024 0.000 2.911 478 S HA 0.506 4.976 4.470 -0.000 0.000 0.319 478 S C -1.083 173.509 174.600 -0.013 0.000 1.154 478 S CA -0.720 57.476 58.200 -0.006 0.000 0.857 478 S CB 1.935 65.124 63.200 -0.017 0.000 1.279 478 S HN 0.419 nan 8.310 nan 0.000 0.593 479 D N 0.794 121.181 120.400 -0.022 0.000 2.277 479 D HA 0.666 5.306 4.640 -0.000 0.000 0.250 479 D C -0.550 175.748 176.300 -0.004 0.000 1.032 479 D CA -0.154 53.825 54.000 -0.035 0.000 0.947 479 D CB 0.910 41.696 40.800 -0.025 0.000 1.159 479 D HN 0.420 nan 8.370 nan 0.000 0.460 480 I N -2.002 118.564 120.570 -0.007 0.000 2.722 480 I HA 0.530 4.700 4.170 -0.000 0.000 0.295 480 I C -1.118 175.045 176.117 0.075 0.000 1.161 480 I CA -1.049 60.280 61.300 0.048 0.000 1.032 480 I CB 1.608 39.667 38.000 0.098 0.000 1.244 480 I HN 0.105 nan 8.210 nan 0.000 0.421 481 V N 6.370 126.326 119.914 0.070 0.000 2.837 481 V HA 0.697 4.817 4.120 -0.000 0.000 0.310 481 V C -0.314 175.819 176.094 0.064 0.000 1.059 481 V CA -0.581 61.766 62.300 0.080 0.000 1.004 481 V CB 1.699 33.550 31.823 0.047 0.000 1.045 481 V HN 0.757 nan 8.190 nan 0.000 0.465 482 I N 3.582 124.201 120.570 0.082 0.000 2.918 482 I HA 0.397 4.567 4.170 -0.000 0.000 0.301 482 I C -0.749 175.401 176.117 0.056 0.000 1.312 482 I CA -1.002 60.321 61.300 0.039 0.000 1.007 482 I CB 2.588 40.580 38.000 -0.014 0.000 1.281 482 I HN 0.472 nan 8.210 nan 0.000 0.440 483 K N 2.887 123.305 120.400 0.030 0.000 2.249 483 K HA 0.266 4.586 4.320 -0.000 0.000 0.280 483 K C -0.991 175.641 176.600 0.053 0.000 1.033 483 K CA -0.328 55.982 56.287 0.038 0.000 0.946 483 K CB 0.792 33.308 32.500 0.027 0.000 1.005 483 K HN 0.398 nan 8.250 nan 0.000 0.469 484 D N 1.281 121.717 120.400 0.061 0.000 2.575 484 D HA 0.090 4.730 4.640 -0.000 0.000 0.250 484 D C 0.034 176.362 176.300 0.047 0.000 1.279 484 D CA -0.313 53.728 54.000 0.068 0.000 0.925 484 D CB 1.562 42.421 40.800 0.099 0.000 1.261 484 D HN 0.338 nan 8.370 nan 0.000 0.567 485 S N 2.356 118.080 115.700 0.040 0.000 2.500 485 S HA -0.059 4.411 4.470 -0.000 0.000 0.239 485 S C 0.969 175.585 174.600 0.028 0.000 0.989 485 S CA 0.534 58.753 58.200 0.031 0.000 0.951 485 S CB -0.180 63.036 63.200 0.027 0.000 0.759 485 S HN 0.538 nan 8.310 nan 0.000 0.523 486 N N 1.869 120.588 118.700 0.032 0.000 2.453 486 N HA 0.103 4.843 4.740 -0.000 0.000 0.270 486 N C -0.717 174.806 175.510 0.021 0.000 1.195 486 N CA -0.106 52.959 53.050 0.025 0.000 0.902 486 N CB 0.726 39.229 38.487 0.027 0.000 1.186 486 N HN 0.276 nan 8.380 nan 0.000 0.510 487 T N -2.478 112.088 114.554 0.020 0.000 2.971 487 T HA 0.087 4.437 4.350 -0.000 0.000 0.304 487 T C 0.800 175.506 174.700 0.010 0.000 1.038 487 T CA -0.917 61.191 62.100 0.013 0.000 1.007 487 T CB 1.853 70.732 68.868 0.017 0.000 1.055 487 T HN 0.034 nan 8.240 nan 0.000 0.451 488 D N 2.267 122.669 120.400 0.003 0.000 2.220 488 D HA -0.180 4.460 4.640 -0.000 0.000 0.198 488 D C 1.537 177.840 176.300 0.004 0.000 1.001 488 D CA 1.271 55.272 54.000 0.002 0.000 0.875 488 D CB -0.464 40.333 40.800 -0.004 0.000 0.921 488 D HN 0.351 nan 8.370 nan 0.000 0.454 489 V N -1.055 118.862 119.914 0.006 0.000 2.825 489 V HA 0.314 4.434 4.120 -0.000 0.000 0.246 489 V C 1.859 177.962 176.094 0.015 0.000 1.068 489 V CA 1.614 63.919 62.300 0.008 0.000 1.088 489 V CB 0.212 32.038 31.823 0.006 0.000 0.733 489 V HN 0.646 nan 8.190 nan 0.000 0.468 490 G N -0.841 107.971 108.800 0.020 0.000 2.255 490 G HA2 0.077 4.037 3.960 -0.000 0.000 0.196 490 G HA3 0.077 4.037 3.960 -0.000 0.000 0.196 490 G C 0.127 175.047 174.900 0.034 0.000 0.998 490 G CA 0.063 45.178 45.100 0.026 0.000 0.656 490 G HN 1.334 nan 8.290 nan 0.000 0.490 491 A N -0.518 122.323 122.820 0.036 0.000 2.527 491 A HA 0.928 5.248 4.320 -0.000 0.000 0.293 491 A C -0.618 177.002 177.584 0.060 0.000 1.117 491 A CA 0.143 52.211 52.037 0.051 0.000 0.723 491 A CB 1.943 20.967 19.000 0.040 0.000 1.313 491 A HN 0.847 nan 8.150 nan 0.000 0.411 492 K N 0.776 121.240 120.400 0.106 0.000 2.498 492 K HA 0.389 4.709 4.320 -0.000 0.000 0.254 492 K C -1.250 175.433 176.600 0.137 0.000 0.933 492 K CA -0.540 55.801 56.287 0.089 0.000 0.806 492 K CB 1.551 34.109 32.500 0.097 0.000 1.301 492 K HN 0.865 nan 8.250 nan 0.000 0.432 493 N N 2.066 120.765 118.700 -0.002 0.000 2.508 493 N HA 0.292 5.032 4.740 -0.000 0.000 0.285 493 N C -1.425 174.004 175.510 -0.135 0.000 1.144 493 N CA -0.320 52.742 53.050 0.019 0.000 0.978 493 N CB 0.813 39.285 38.487 -0.026 0.000 1.180 493 N HN 0.322 nan 8.380 nan 0.000 0.484 494 Y N 0.190 120.395 120.300 -0.159 0.000 2.477 494 Y HA 0.318 4.868 4.550 -0.000 0.000 0.347 494 Y C -0.012 175.666 175.900 -0.371 0.000 0.981 494 Y CA -0.895 57.050 58.100 -0.258 0.000 1.033 494 Y CB 1.350 39.606 38.460 -0.341 0.000 1.245 494 Y HN 0.175 nan 8.280 nan 0.000 0.455 495 R N 2.914 123.323 120.500 -0.152 0.000 2.235 495 R HA 0.249 4.589 4.340 -0.000 0.000 0.338 495 R C -1.055 175.227 176.300 -0.030 0.000 1.087 495 R CA -0.353 55.682 56.100 -0.109 0.000 0.948 495 R CB -0.282 29.977 30.300 -0.068 0.000 1.099 495 R HN 0.662 nan 8.270 nan 0.000 0.483 496 H N 2.295 121.411 119.070 0.077 0.000 2.463 496 H HA 0.289 4.845 4.556 -0.000 0.000 0.332 496 H C -0.194 175.162 175.328 0.048 0.000 1.127 496 H CA -0.820 55.267 56.048 0.067 0.000 1.238 496 H CB 2.186 31.988 29.762 0.067 0.000 1.478 496 H HN 0.349 nan 8.280 nan 0.000 0.499 497 L N 2.946 124.270 121.223 0.168 0.000 2.280 497 L HA 0.394 4.734 4.340 -0.000 0.000 0.287 497 L C -0.852 176.076 176.870 0.096 0.000 1.023 497 L CA -0.467 54.433 54.840 0.100 0.000 0.819 497 L CB 0.486 42.544 42.059 -0.002 0.000 1.212 497 L HN 0.590 nan 8.230 nan 0.000 0.420 498 C N 5.404 124.786 119.300 0.136 0.000 2.396 498 C HA 0.946 5.406 4.460 -0.000 0.000 0.321 498 C C 0.077 175.170 174.990 0.172 0.000 1.233 498 C CA -0.037 59.053 59.018 0.120 0.000 1.440 498 C CB 0.517 28.322 27.740 0.108 0.000 2.110 498 C HN 1.016 nan 8.230 nan 0.000 0.473 499 A N 4.311 127.228 122.820 0.162 0.000 2.430 499 A HA 0.964 5.284 4.320 -0.000 0.000 0.300 499 A C -0.780 176.977 177.584 0.288 0.000 1.124 499 A CA -0.192 52.007 52.037 0.269 0.000 0.766 499 A CB 1.645 20.741 19.000 0.160 0.000 1.328 499 A HN 2.017 nan 8.150 nan 0.000 0.424 500 V N -2.112 118.029 119.914 0.379 0.000 3.012 500 V HA 0.710 4.830 4.120 -0.000 0.000 0.307 500 V C -1.377 174.919 176.094 0.336 0.000 1.166 500 V CA -0.725 61.759 62.300 0.306 0.000 0.974 500 V CB 1.335 33.259 31.823 0.168 0.000 1.040 500 V HN 1.058 nan 8.190 nan 0.000 0.428 501 Y N 3.616 124.039 120.300 0.205 0.000 2.328 501 Y HA 0.722 5.272 4.550 -0.000 0.000 0.333 501 Y C -1.411 174.591 175.900 0.169 0.000 0.958 501 Y CA -0.955 57.230 58.100 0.142 0.000 1.167 501 Y CB 1.766 40.315 38.460 0.149 0.000 1.151 501 Y HN 0.841 nan 8.280 nan 0.000 0.470 502 Y N 7.157 127.309 120.300 -0.246 0.000 2.328 502 Y HA 0.493 5.043 4.550 -0.000 0.000 0.333 502 Y C -0.776 174.990 175.900 -0.224 0.000 0.958 502 Y CA -0.633 57.386 58.100 -0.135 0.000 1.167 502 Y CB 0.732 39.116 38.460 -0.126 0.000 1.151 502 Y HN 0.845 nan 8.280 nan 0.000 0.470 503 N N 2.909 121.440 118.700 -0.281 0.000 3.116 503 N HA 0.139 4.879 4.740 -0.000 0.000 0.244 503 N C 0.138 175.547 175.510 -0.168 0.000 1.485 503 N CA -0.722 52.222 53.050 -0.178 0.000 0.884 503 N CB 1.297 39.807 38.487 0.038 0.000 1.415 503 N HN 0.313 nan 8.380 nan 0.000 0.524 504 K N 0.277 120.621 120.400 -0.093 0.000 2.059 504 K HA -0.169 4.151 4.320 -0.000 0.000 0.212 504 K C 0.353 176.916 176.600 -0.062 0.000 1.050 504 K CA 1.810 58.048 56.287 -0.081 0.000 0.927 504 K CB -0.977 31.502 32.500 -0.036 0.000 0.714 504 K HN 0.675 nan 8.250 nan 0.000 0.447 505 N N 0.321 119.022 118.700 0.002 0.000 2.314 505 N HA 0.260 5.000 4.740 -0.000 0.000 0.304 505 N C -2.937 172.620 175.510 0.079 0.000 1.073 505 N CA -1.897 51.161 53.050 0.014 0.000 0.822 505 N CB 2.047 40.546 38.487 0.020 0.000 1.280 505 N HN -0.206 nan 8.380 nan 0.000 0.489 506 P HA 0.149 nan 4.420 nan 0.000 0.271 506 P C 0.125 177.454 177.300 0.047 0.000 1.216 506 P CA -0.166 63.011 63.100 0.128 0.000 0.776 506 P CB 0.976 32.735 31.700 0.099 0.000 0.881 507 G N 2.038 110.754 108.800 -0.141 0.000 3.639 507 G HA2 -0.024 3.936 3.960 -0.000 0.000 0.279 507 G HA3 -0.024 3.936 3.960 -0.000 0.000 0.279 507 G C 0.596 175.387 174.900 -0.182 0.000 1.312 507 G CA -0.380 44.386 45.100 -0.556 0.000 1.355 507 G HN 0.394 nan 8.290 nan 0.000 0.595 508 F N 1.740 121.644 119.950 -0.077 0.000 2.225 508 F HA -0.205 4.322 4.527 -0.000 0.000 0.302 508 F C 2.148 177.964 175.800 0.027 0.000 1.068 508 F CA 1.962 59.975 58.000 0.022 0.000 1.327 508 F CB 0.412 39.447 39.000 0.058 0.000 1.043 508 F HN 0.416 nan 8.300 nan 0.000 0.506 509 E N -0.069 120.098 120.200 -0.055 0.000 2.170 509 E HA -0.041 4.309 4.350 -0.000 0.000 0.191 509 E C 2.187 178.736 176.600 -0.086 0.000 0.981 509 E CA 1.167 57.509 56.400 -0.097 0.000 0.830 509 E CB -0.657 29.025 29.700 -0.030 0.000 0.775 509 E HN 0.553 nan 8.360 nan 0.000 0.470 510 I N 0.362 120.851 120.570 -0.136 0.000 2.761 510 I HA -0.107 4.063 4.170 -0.000 0.000 0.261 510 I C 1.319 177.407 176.117 -0.048 0.000 1.198 510 I CA 0.633 61.870 61.300 -0.106 0.000 1.482 510 I CB 0.248 38.121 38.000 -0.212 0.000 1.100 510 I HN 0.093 nan 8.210 nan 0.000 0.445 511 I N 0.352 120.872 120.570 -0.083 0.000 2.480 511 I HA -0.240 3.930 4.170 -0.000 0.000 0.251 511 I C 2.427 178.474 176.117 -0.117 0.000 1.124 511 I CA 1.318 62.606 61.300 -0.019 0.000 1.444 511 I CB -1.303 36.717 38.000 0.033 0.000 1.098 511 I HN 0.390 nan 8.210 nan 0.000 0.428 512 H N 1.047 119.917 119.070 -0.333 0.000 2.353 512 H HA -0.127 4.429 4.556 -0.000 0.000 0.300 512 H C 2.011 177.247 175.328 -0.153 0.000 1.090 512 H CA 1.808 57.664 56.048 -0.320 0.000 1.327 512 H CB 0.104 29.606 29.762 -0.433 0.000 1.383 512 H HN 0.300 nan 8.280 nan 0.000 0.508 513 G N 0.934 109.699 108.800 -0.058 0.000 2.443 513 G HA2 -0.197 3.763 3.960 -0.000 0.000 0.219 513 G HA3 -0.197 3.763 3.960 -0.000 0.000 0.219 513 G C 1.824 176.658 174.900 -0.109 0.000 1.131 513 G CA 0.597 45.662 45.100 -0.058 0.000 0.775 513 G HN 0.387 nan 8.290 nan 0.000 0.547 514 L N 0.295 121.442 121.223 -0.126 0.000 2.027 514 L HA 0.185 4.525 4.340 -0.000 0.000 0.206 514 L C 2.571 179.297 176.870 -0.241 0.000 1.074 514 L CA 1.347 56.070 54.840 -0.195 0.000 0.745 514 L CB -0.453 41.461 42.059 -0.242 0.000 0.898 514 L HN 0.221 nan 8.230 nan 0.000 0.433 515 L N -0.886 120.193 121.223 -0.239 0.000 2.079 515 L HA -0.246 4.094 4.340 -0.000 0.000 0.210 515 L C 2.069 178.772 176.870 -0.279 0.000 1.081 515 L CA 1.734 56.415 54.840 -0.265 0.000 0.752 515 L CB -0.544 41.378 42.059 -0.228 0.000 0.896 515 L HN 0.348 nan 8.230 nan 0.000 0.433 516 D N -0.436 119.838 120.400 -0.210 0.000 2.117 516 D HA -0.236 4.404 4.640 -0.000 0.000 0.197 516 D C 2.189 178.410 176.300 -0.132 0.000 0.987 516 D CA 1.208 55.153 54.000 -0.092 0.000 0.829 516 D CB -0.045 40.728 40.800 -0.046 0.000 0.961 516 D HN 0.235 nan 8.370 nan 0.000 0.460 517 R N 0.968 121.377 120.500 -0.151 0.000 2.082 517 R HA -0.069 4.271 4.340 -0.000 0.000 0.234 517 R C 2.457 178.633 176.300 -0.205 0.000 1.136 517 R CA 0.957 56.967 56.100 -0.149 0.000 0.935 517 R CB -0.797 29.413 30.300 -0.150 0.000 0.842 517 R HN 0.130 nan 8.270 nan 0.000 0.430 518 I N 0.179 120.586 120.570 -0.273 0.000 2.113 518 I HA -0.395 3.775 4.170 -0.000 0.000 0.242 518 I C 2.156 178.048 176.117 -0.374 0.000 1.064 518 I CA 1.581 62.681 61.300 -0.333 0.000 1.320 518 I CB -0.331 37.439 38.000 -0.384 0.000 1.028 518 I HN 0.306 nan 8.210 nan 0.000 0.406 519 M N -0.323 119.009 119.600 -0.448 0.000 2.117 519 M HA -0.257 4.223 4.480 -0.000 0.000 0.262 519 M C 2.286 178.436 176.300 -0.250 0.000 1.065 519 M CA 1.690 56.690 55.300 -0.500 0.000 1.114 519 M CB -1.285 30.762 32.600 -0.923 0.000 1.361 519 M HN 0.366 nan 8.290 nan 0.000 0.408 520 Q N 0.004 119.703 119.800 -0.168 0.000 2.124 520 Q HA -0.172 4.168 4.340 -0.000 0.000 0.202 520 Q C 1.957 177.902 176.000 -0.091 0.000 0.977 520 Q CA 1.066 56.821 55.803 -0.080 0.000 0.850 520 Q CB 0.137 28.840 28.738 -0.057 0.000 0.901 520 Q HN 0.316 nan 8.270 nan 0.000 0.429 521 L N 0.449 121.592 121.223 -0.134 0.000 2.093 521 L HA -0.121 4.219 4.340 -0.000 0.000 0.208 521 L C 2.029 178.832 176.870 -0.111 0.000 1.085 521 L CA 1.429 56.196 54.840 -0.121 0.000 0.755 521 L CB -0.845 41.122 42.059 -0.153 0.000 0.904 521 L HN 0.368 nan 8.230 nan 0.000 0.435 522 L N -0.664 120.469 121.223 -0.152 0.000 2.627 522 L HA -0.004 4.336 4.340 -0.000 0.000 0.233 522 L C 0.228 177.079 176.870 -0.031 0.000 1.144 522 L CA -0.068 54.706 54.840 -0.109 0.000 0.892 522 L CB -0.509 41.428 42.059 -0.203 0.000 1.039 522 L HN 0.252 nan 8.230 nan 0.000 0.442 523 D N 0.692 121.072 120.400 -0.033 0.000 2.697 523 D HA -0.170 4.470 4.640 -0.000 0.000 0.238 523 D C -0.704 175.622 176.300 0.043 0.000 1.152 523 D CA 0.329 54.333 54.000 0.006 0.000 0.666 523 D CB -0.518 40.289 40.800 0.012 0.000 1.037 523 D HN -0.011 nan 8.370 nan 0.000 0.423 524 V N 2.289 122.229 119.914 0.044 0.000 2.326 524 V HA 0.448 4.568 4.120 -0.000 0.000 0.281 524 V C -1.578 174.627 176.094 0.184 0.000 1.015 524 V CA -1.282 61.088 62.300 0.118 0.000 0.823 524 V CB 1.568 33.474 31.823 0.137 0.000 1.009 524 V HN 0.179 nan 8.190 nan 0.000 0.436 525 P HA 0.239 nan 4.420 nan 0.000 0.271 525 P C -2.603 174.846 177.300 0.249 0.000 1.216 525 P CA -1.213 61.993 63.100 0.176 0.000 0.776 525 P CB 0.623 32.381 31.700 0.097 0.000 0.881 526 P HA 0.103 nan 4.420 nan 0.000 0.273 526 P C 0.152 177.364 177.300 -0.146 0.000 1.250 526 P CA 0.667 63.628 63.100 -0.232 0.000 0.793 526 P CB 0.099 31.587 31.700 -0.354 0.000 1.011 527 G N 0.622 109.283 108.800 -0.233 0.000 3.391 527 G HA2 -0.196 3.764 3.960 -0.000 0.000 0.675 527 G HA3 -0.196 3.764 3.960 -0.000 0.000 0.675 527 G C -0.210 174.672 174.900 -0.029 0.000 0.899 527 G CA -0.533 44.501 45.100 -0.110 0.000 0.755 527 G HN 0.598 nan 8.290 nan 0.000 0.475 528 E N 1.760 121.951 120.200 -0.016 0.000 1.855 528 E HA 0.006 4.356 4.350 -0.000 0.000 0.259 528 E C 0.916 177.520 176.600 0.006 0.000 1.229 528 E CA 0.163 56.574 56.400 0.018 0.000 1.042 528 E CB 0.411 30.119 29.700 0.013 0.000 1.079 528 E HN 0.551 nan 8.360 nan 0.000 0.434 529 D N 2.120 122.530 120.400 0.016 0.000 2.626 529 D HA -0.034 4.606 4.640 -0.000 0.000 0.260 529 D C 1.461 177.771 176.300 0.016 0.000 1.281 529 D CA 0.352 54.358 54.000 0.010 0.000 1.098 529 D CB 0.466 41.272 40.800 0.011 0.000 0.923 529 D HN 0.179 nan 8.370 nan 0.000 0.233 530 K N -0.628 119.784 120.400 0.020 0.000 2.366 530 K HA 0.195 4.515 4.320 -0.000 0.000 0.198 530 K C 1.158 177.772 176.600 0.024 0.000 1.044 530 K CA 1.398 57.696 56.287 0.019 0.000 0.973 530 K CB 0.389 32.900 32.500 0.018 0.000 0.767 530 K HN 0.246 nan 8.250 nan 0.000 0.475 531 G N -0.357 108.466 108.800 0.038 0.000 3.680 531 G HA2 0.204 4.164 3.960 -0.000 0.000 0.211 531 G HA3 0.204 4.164 3.960 -0.000 0.000 0.211 531 G C 0.478 175.429 174.900 0.084 0.000 1.509 531 G CA -0.208 44.920 45.100 0.047 0.000 0.868 531 G HN 0.509 nan 8.290 nan 0.000 0.759 532 G N 0.593 109.459 108.800 0.110 0.000 3.227 532 G HA2 0.130 4.090 3.960 -0.000 0.000 0.235 532 G HA3 0.130 4.090 3.960 -0.000 0.000 0.235 532 G C 0.061 175.102 174.900 0.234 0.000 0.739 532 G CA 0.833 46.034 45.100 0.168 0.000 1.073 532 G HN 1.463 nan 8.290 nan 0.000 0.352 533 Y N -0.278 120.076 120.300 0.091 0.000 2.361 533 Y HA 0.664 5.214 4.550 -0.000 0.000 0.332 533 Y C 0.115 176.072 175.900 0.095 0.000 1.101 533 Y CA -1.255 56.918 58.100 0.121 0.000 1.137 533 Y CB 1.811 40.357 38.460 0.144 0.000 1.207 533 Y HN 0.830 nan 8.280 nan 0.000 0.463 534 V N 2.778 122.773 119.914 0.135 0.000 2.531 534 V HA 0.566 4.686 4.120 -0.000 0.000 0.301 534 V C -0.816 175.349 176.094 0.118 0.000 1.034 534 V CA -1.188 61.106 62.300 -0.010 0.000 0.865 534 V CB 0.978 32.767 31.823 -0.056 0.000 0.995 534 V HN 0.747 nan 8.190 nan 0.000 0.424 535 I N 3.993 124.601 120.570 0.062 0.000 2.322 535 I HA 0.474 4.644 4.170 -0.000 0.000 0.292 535 I C 0.448 176.625 176.117 0.100 0.000 1.060 535 I CA 0.004 61.397 61.300 0.154 0.000 1.309 535 I CB 0.296 38.417 38.000 0.202 0.000 1.415 535 I HN 0.591 nan 8.210 nan 0.000 0.492 536 K N 5.390 125.865 120.400 0.126 0.000 2.425 536 K HA 0.706 5.026 4.320 -0.000 0.000 0.259 536 K C -0.143 176.504 176.600 0.078 0.000 0.978 536 K CA -0.737 55.571 56.287 0.036 0.000 0.883 536 K CB 1.682 34.116 32.500 -0.109 0.000 1.110 536 K HN 0.761 nan 8.250 nan 0.000 0.436 537 A N 2.219 125.068 122.820 0.049 0.000 2.603 537 A HA 0.096 4.416 4.320 -0.000 0.000 0.235 537 A C 0.179 177.779 177.584 0.026 0.000 1.035 537 A CA 0.704 52.765 52.037 0.040 0.000 0.755 537 A CB 0.270 19.279 19.000 0.016 0.000 0.954 537 A HN 0.622 nan 8.150 nan 0.000 0.511 538 S N -0.079 115.625 115.700 0.007 0.000 2.672 538 S HA 0.563 5.033 4.470 -0.000 0.000 0.271 538 S C -1.439 173.137 174.600 -0.039 0.000 1.171 538 S CA -0.505 57.694 58.200 -0.001 0.000 0.817 538 S CB 1.432 64.650 63.200 0.031 0.000 1.150 538 S HN 0.916 nan 8.310 nan 0.000 0.478 539 E N -0.188 119.995 120.200 -0.029 0.000 2.195 539 E HA 0.704 5.054 4.350 -0.000 0.000 0.271 539 E C -0.550 176.047 176.600 -0.005 0.000 0.923 539 E CA -0.382 56.001 56.400 -0.029 0.000 0.790 539 E CB 1.581 31.266 29.700 -0.025 0.000 1.155 539 E HN 0.830 nan 8.360 nan 0.000 0.402 540 G N 3.645 112.473 108.800 0.047 0.000 2.719 540 G HA2 0.382 4.342 3.960 -0.000 0.000 0.298 540 G HA3 0.382 4.342 3.960 -0.000 0.000 0.298 540 G C -2.169 172.859 174.900 0.213 0.000 1.433 540 G CA -1.470 43.736 45.100 0.177 0.000 1.034 540 G HN 0.488 nan 8.290 nan 0.000 0.517 541 P HA 0.039 nan 4.420 nan 0.000 0.244 541 P C 1.035 178.380 177.300 0.075 0.000 1.211 541 P CA 0.844 63.980 63.100 0.061 0.000 0.760 541 P CB 0.695 32.427 31.700 0.053 0.000 0.961 542 A N -1.570 121.342 122.820 0.153 0.000 2.419 542 A HA 0.376 4.696 4.320 -0.000 0.000 0.233 542 A C 0.218 177.702 177.584 -0.167 0.000 1.217 542 A CA -0.146 51.878 52.037 -0.022 0.000 0.944 542 A CB 0.069 18.971 19.000 -0.164 0.000 1.025 542 A HN 0.031 nan 8.150 nan 0.000 0.524 543 F N -1.219 118.799 119.950 0.113 0.000 2.508 543 F HA 0.543 5.070 4.527 -0.000 0.000 0.325 543 F C -0.162 175.727 175.800 0.149 0.000 1.090 543 F CA -1.834 56.257 58.000 0.151 0.000 0.945 543 F CB 0.908 39.966 39.000 0.096 0.000 1.156 543 F HN 0.119 nan 8.300 nan 0.000 0.463 544 F N 5.236 125.341 119.950 0.259 0.000 2.590 544 F HA 0.261 4.788 4.527 -0.000 0.000 0.389 544 F C -2.124 173.726 175.800 0.083 0.000 1.049 544 F CA -2.588 55.535 58.000 0.204 0.000 1.199 544 F CB 0.019 39.104 39.000 0.142 0.000 1.058 544 F HN 0.249 nan 8.300 nan 0.000 0.556 545 P HA 0.079 nan 4.420 nan 0.000 0.263 545 P C 0.460 177.546 177.300 -0.357 0.000 1.168 545 P CA 1.775 64.657 63.100 -0.362 0.000 0.759 545 P CB 0.315 31.775 31.700 -0.401 0.000 0.782 546 G N 2.711 111.395 108.800 -0.192 0.000 2.162 546 G HA2 -0.301 3.659 3.960 -0.000 0.000 0.260 546 G HA3 -0.301 3.659 3.960 -0.000 0.000 0.260 546 G C 0.346 175.160 174.900 -0.144 0.000 0.976 546 G CA -0.118 44.896 45.100 -0.143 0.000 0.655 546 G HN 0.634 nan 8.290 nan 0.000 0.533 547 R N -0.861 119.530 120.500 -0.182 0.000 2.711 547 R HA 0.479 4.819 4.340 -0.000 0.000 0.350 547 R C -0.306 175.738 176.300 -0.427 0.000 1.146 547 R CA 0.206 56.030 56.100 -0.461 0.000 1.190 547 R CB 0.349 30.448 30.300 -0.335 0.000 1.312 547 R HN 0.582 nan 8.270 nan 0.000 0.635 548 C N 0.419 119.605 119.300 -0.190 0.000 2.782 548 C HA 0.880 5.340 4.460 -0.000 0.000 0.328 548 C C -0.949 174.005 174.990 -0.059 0.000 1.145 548 C CA -0.145 58.776 59.018 -0.162 0.000 1.358 548 C CB 1.246 28.841 27.740 -0.242 0.000 1.841 548 C HN 0.668 nan 8.230 nan 0.000 0.477 549 A N 3.866 126.675 122.820 -0.018 0.000 2.532 549 A HA 0.895 5.215 4.320 -0.000 0.000 0.290 549 A C -1.348 176.249 177.584 0.021 0.000 1.143 549 A CA -0.439 51.634 52.037 0.060 0.000 0.728 549 A CB 1.541 20.654 19.000 0.189 0.000 1.317 549 A HN 0.964 nan 8.150 nan 0.000 0.414 550 E N 0.446 120.720 120.200 0.124 0.000 2.212 550 E HA 0.553 4.903 4.350 -0.000 0.000 0.268 550 E C -1.155 175.591 176.600 0.243 0.000 0.902 550 E CA -0.709 55.770 56.400 0.131 0.000 0.779 550 E CB 1.050 30.885 29.700 0.225 0.000 1.172 550 E HN 0.512 nan 8.360 nan 0.000 0.409 551 I N 3.717 124.340 120.570 0.088 0.000 2.331 551 I HA 0.348 4.518 4.170 -0.000 0.000 0.292 551 I C -0.594 175.566 176.117 0.072 0.000 0.998 551 I CA -0.400 61.007 61.300 0.178 0.000 1.267 551 I CB -0.245 37.825 38.000 0.117 0.000 1.386 551 I HN 0.438 nan 8.210 nan 0.000 0.476 552 F N 3.987 124.012 119.950 0.125 0.000 2.520 552 F HA 0.824 5.351 4.527 -0.000 0.000 0.322 552 F C 0.307 176.186 175.800 0.133 0.000 1.103 552 F CA -0.575 57.480 58.000 0.093 0.000 0.926 552 F CB 2.163 41.196 39.000 0.056 0.000 1.154 552 F HN 0.653 nan 8.300 nan 0.000 0.453 553 A N 1.804 124.754 122.820 0.217 0.000 2.586 553 A HA 0.652 4.972 4.320 -0.000 0.000 0.291 553 A C -0.368 177.200 177.584 -0.025 0.000 1.062 553 A CA -1.145 50.973 52.037 0.134 0.000 0.666 553 A CB 1.078 20.180 19.000 0.170 0.000 1.281 553 A HN 0.774 nan 8.150 nan 0.000 0.421 554 R N 0.151 120.622 120.500 -0.047 0.000 3.266 554 R HA -0.211 4.129 4.340 -0.000 0.000 0.245 554 R C 1.031 177.302 176.300 -0.049 0.000 0.941 554 R CA 1.265 57.312 56.100 -0.088 0.000 0.638 554 R CB -2.052 28.115 30.300 -0.222 0.000 1.019 554 R HN 2.554 nan 8.270 nan 0.000 0.462 555 G N 0.132 108.942 108.800 0.016 0.000 2.273 555 G HA2 -0.352 3.608 3.960 -0.000 0.000 0.280 555 G HA3 -0.352 3.608 3.960 -0.000 0.000 0.280 555 G C -0.020 174.907 174.900 0.046 0.000 1.047 555 G CA 1.042 46.166 45.100 0.041 0.000 0.869 555 G HN 0.844 nan 8.290 nan 0.000 0.502 556 Q N -2.304 117.528 119.800 0.053 0.000 2.900 556 Q HA 0.574 4.914 4.340 -0.000 0.000 0.297 556 Q C -0.661 175.258 176.000 -0.135 0.000 0.889 556 Q CA -0.315 55.487 55.803 -0.003 0.000 0.777 556 Q CB 0.189 28.904 28.738 -0.038 0.000 1.518 556 Q HN 0.862 nan 8.270 nan 0.000 0.430 557 S N 0.244 115.762 115.700 -0.302 0.000 2.505 557 S HA 0.293 4.763 4.470 -0.000 0.000 0.276 557 S C 0.239 174.682 174.600 -0.262 0.000 1.274 557 S CA -0.132 57.728 58.200 -0.566 0.000 1.053 557 S CB 0.790 63.666 63.200 -0.541 0.000 0.919 557 S HN 0.456 nan 8.310 nan 0.000 0.490 558 V N 4.737 124.533 119.914 -0.197 0.000 2.690 558 V HA 0.422 4.542 4.120 -0.000 0.000 0.240 558 V C 1.386 177.461 176.094 -0.033 0.000 1.078 558 V CA 1.195 63.482 62.300 -0.023 0.000 1.102 558 V CB -0.233 31.673 31.823 0.139 0.000 0.800 558 V HN 0.949 nan 8.190 nan 0.000 0.479 559 G N 0.114 108.870 108.800 -0.074 0.000 2.706 559 G HA2 0.528 4.488 3.960 -0.000 0.000 0.307 559 G HA3 0.528 4.488 3.960 -0.000 0.000 0.307 559 G C -1.644 173.209 174.900 -0.078 0.000 1.307 559 G CA -0.680 44.371 45.100 -0.081 0.000 0.790 559 G HN 0.279 nan 8.290 nan 0.000 0.503 560 K N -0.265 120.106 120.400 -0.049 0.000 2.376 560 K HA 0.743 5.063 4.320 -0.000 0.000 0.257 560 K C -1.366 175.225 176.600 -0.015 0.000 0.939 560 K CA -0.815 55.429 56.287 -0.071 0.000 0.809 560 K CB 2.770 35.236 32.500 -0.057 0.000 1.121 560 K HN 0.431 nan 8.250 nan 0.000 0.425 561 L N 2.530 123.730 121.223 -0.040 0.000 2.341 561 L HA 0.755 5.095 4.340 -0.000 0.000 0.278 561 L C -0.628 176.340 176.870 0.163 0.000 1.005 561 L CA -0.042 54.859 54.840 0.102 0.000 0.818 561 L CB 1.685 43.806 42.059 0.104 0.000 1.259 561 L HN 1.092 nan 8.230 nan 0.000 0.418 562 G N 3.028 112.138 108.800 0.517 0.000 2.349 562 G HA2 0.361 4.321 3.960 -0.000 0.000 0.294 562 G HA3 0.361 4.321 3.960 -0.000 0.000 0.294 562 G C -2.092 173.337 174.900 0.881 0.000 1.380 562 G CA -0.564 44.958 45.100 0.703 0.000 0.811 562 G HN 0.337 nan 8.290 nan 0.000 0.519 563 V N 1.470 121.717 119.914 0.554 0.000 2.370 563 V HA 0.380 4.500 4.120 -0.000 0.000 0.279 563 V C 0.790 177.070 176.094 0.310 0.000 1.029 563 V CA -0.598 61.922 62.300 0.366 0.000 0.870 563 V CB 1.044 32.939 31.823 0.121 0.000 0.984 563 V HN 0.610 nan 8.190 nan 0.000 0.451 564 L N 4.409 125.709 121.223 0.129 0.000 2.559 564 L HA 0.059 4.399 4.340 -0.000 0.000 0.282 564 L C 0.578 177.509 176.870 0.101 0.000 1.232 564 L CA 0.056 54.876 54.840 -0.034 0.000 0.885 564 L CB -0.184 41.857 42.059 -0.031 0.000 1.131 564 L HN 0.689 nan 8.230 nan 0.000 0.498 565 H N 5.680 124.762 119.070 0.019 0.000 2.803 565 H HA 0.122 4.678 4.556 -0.000 0.000 0.330 565 H C -1.784 173.597 175.328 0.088 0.000 1.057 565 H CA -1.652 54.474 56.048 0.128 0.000 1.458 565 H CB 1.125 30.963 29.762 0.126 0.000 1.470 565 H HN 0.264 nan 8.280 nan 0.000 0.560 566 P HA -0.237 nan 4.420 nan 0.000 0.219 566 P C 0.647 177.781 177.300 -0.277 0.000 1.153 566 P CA 1.950 64.854 63.100 -0.326 0.000 0.865 566 P CB 0.322 31.828 31.700 -0.323 0.000 0.788 567 D N -1.173 118.959 120.400 -0.445 0.000 2.078 567 D HA -0.144 4.496 4.640 -0.000 0.000 0.193 567 D C 1.962 178.281 176.300 0.032 0.000 0.990 567 D CA 1.634 55.577 54.000 -0.095 0.000 0.827 567 D CB -1.075 39.799 40.800 0.123 0.000 0.975 567 D HN 0.092 nan 8.370 nan 0.000 0.451 568 V N 0.375 120.354 119.914 0.108 0.000 2.407 568 V HA -0.196 3.924 4.120 -0.000 0.000 0.248 568 V C 2.254 178.517 176.094 0.282 0.000 1.055 568 V CA 1.587 64.019 62.300 0.222 0.000 1.049 568 V CB -1.038 30.920 31.823 0.225 0.000 0.662 568 V HN 0.288 nan 8.190 nan 0.000 0.455 569 I N 2.562 123.217 120.570 0.142 0.000 2.493 569 I HA -0.124 4.046 4.170 -0.000 0.000 0.254 569 I C 2.272 178.472 176.117 0.139 0.000 1.160 569 I CA 2.428 63.815 61.300 0.145 0.000 1.445 569 I CB -0.882 37.163 38.000 0.075 0.000 1.086 569 I HN 0.560 nan 8.210 nan 0.000 0.433 570 T N -2.437 112.163 114.554 0.077 0.000 3.010 570 T HA 0.073 4.423 4.350 -0.000 0.000 0.252 570 T C 1.764 176.485 174.700 0.036 0.000 1.047 570 T CA 0.424 62.552 62.100 0.046 0.000 1.140 570 T CB -0.505 68.365 68.868 0.003 0.000 0.885 570 T HN 0.334 nan 8.240 nan 0.000 0.464 571 K N 0.250 120.658 120.400 0.012 0.000 2.519 571 K HA 0.088 4.408 4.320 -0.000 0.000 0.196 571 K C 0.262 176.714 176.600 -0.247 0.000 1.041 571 K CA 0.731 56.950 56.287 -0.114 0.000 0.954 571 K CB -0.211 32.192 32.500 -0.161 0.000 0.774 571 K HN 0.442 nan 8.250 nan 0.000 0.480 572 F N 1.171 121.121 119.950 0.000 0.000 2.708 572 F HA 0.127 4.654 4.527 -0.000 0.000 0.300 572 F C -0.342 175.456 175.800 -0.003 0.000 1.118 572 F CA -0.410 57.588 58.000 -0.003 0.000 1.307 572 F CB 0.211 39.209 39.000 -0.003 0.000 0.986 572 F HN -0.032 nan 8.300 nan 0.000 0.522 573 E N 1.236 121.500 120.200 0.108 0.000 2.183 573 E HA -0.230 4.120 4.350 -0.000 0.000 0.196 573 E C -0.620 176.038 176.600 0.097 0.000 1.364 573 E CA 0.188 56.631 56.400 0.073 0.000 0.700 573 E CB -1.524 28.200 29.700 0.039 0.000 1.106 573 E HN 0.450 nan 8.360 nan 0.000 0.347 574 L N -0.788 120.513 121.223 0.131 0.000 2.303 574 L HA 0.374 4.714 4.340 -0.000 0.000 0.266 574 L C 1.518 178.485 176.870 0.161 0.000 1.011 574 L CA -0.727 54.221 54.840 0.179 0.000 0.818 574 L CB 1.678 43.891 42.059 0.256 0.000 1.326 574 L HN 0.011 nan 8.230 nan 0.000 0.435 575 T N -0.510 114.172 114.554 0.214 0.000 3.207 575 T HA 0.179 4.529 4.350 -0.000 0.000 0.229 575 T C 0.640 175.323 174.700 -0.027 0.000 0.999 575 T CA 0.070 62.220 62.100 0.084 0.000 1.386 575 T CB -0.081 68.832 68.868 0.076 0.000 1.130 575 T HN 0.199 nan 8.240 nan 0.000 0.435 576 M N 2.455 121.930 119.600 -0.208 0.000 2.184 576 M HA 0.221 4.701 4.480 -0.000 0.000 0.296 576 M C -2.025 174.087 176.300 -0.313 0.000 1.165 576 M CA -2.044 53.018 55.300 -0.396 0.000 1.175 576 M CB -0.375 31.776 32.600 -0.749 0.000 1.392 576 M HN 0.108 nan 8.290 nan 0.000 0.457 577 P HA 0.245 nan 4.420 nan 0.000 0.279 577 P C -1.120 176.143 177.300 -0.063 0.000 1.282 577 P CA -0.479 62.546 63.100 -0.124 0.000 0.788 577 P CB 0.950 32.580 31.700 -0.117 0.000 1.139 578 C N -0.693 118.637 119.300 0.050 0.000 2.985 578 C HA 0.471 4.931 4.460 -0.000 0.000 0.332 578 C C -0.687 174.430 174.990 0.212 0.000 1.164 578 C CA -0.016 59.098 59.018 0.161 0.000 1.347 578 C CB 1.271 29.131 27.740 0.200 0.000 1.764 578 C HN 0.571 nan 8.230 nan 0.000 0.489 579 S N 2.463 118.344 115.700 0.302 0.000 2.478 579 S HA 0.769 5.239 4.470 -0.000 0.000 0.312 579 S C -0.273 174.536 174.600 0.348 0.000 1.094 579 S CA -0.389 58.033 58.200 0.370 0.000 1.081 579 S CB 1.667 65.091 63.200 0.374 0.000 1.007 579 S HN 1.002 nan 8.310 nan 0.000 0.475 580 S N 2.660 118.579 115.700 0.366 0.000 2.798 580 S HA 0.922 5.392 4.470 -0.000 0.000 0.312 580 S C -1.190 173.586 174.600 0.293 0.000 1.122 580 S CA -0.726 57.656 58.200 0.302 0.000 0.949 580 S CB 1.403 64.748 63.200 0.241 0.000 1.235 580 S HN 0.752 nan 8.310 nan 0.000 0.552 581 L N 0.104 121.456 121.223 0.215 0.000 2.735 581 L HA 0.666 5.006 4.340 -0.000 0.000 0.258 581 L C -1.686 175.237 176.870 0.088 0.000 0.920 581 L CA -0.003 54.917 54.840 0.133 0.000 0.958 581 L CB 1.600 43.694 42.059 0.057 0.000 1.499 581 L HN 1.028 nan 8.230 nan 0.000 0.441 582 E N 5.457 125.686 120.200 0.049 0.000 2.466 582 E HA 0.510 4.860 4.350 -0.000 0.000 0.308 582 E C -1.597 174.964 176.600 -0.064 0.000 0.933 582 E CA -0.475 55.921 56.400 -0.007 0.000 0.800 582 E CB 1.123 30.808 29.700 -0.026 0.000 1.434 582 E HN 0.716 nan 8.360 nan 0.000 0.389 583 I N 0.991 121.544 120.570 -0.028 0.000 2.562 583 I HA 0.572 4.742 4.170 -0.000 0.000 0.301 583 I C -0.337 175.867 176.117 0.144 0.000 1.003 583 I CA -1.155 60.156 61.300 0.018 0.000 1.127 583 I CB 1.715 39.714 38.000 -0.002 0.000 1.304 583 I HN 0.279 nan 8.210 nan 0.000 0.446 584 N N 5.565 124.412 118.700 0.244 0.000 2.439 584 N HA 0.238 4.978 4.740 -0.000 0.000 0.243 584 N C 0.761 176.477 175.510 0.343 0.000 1.088 584 N CA -0.645 52.669 53.050 0.441 0.000 0.940 584 N CB 0.573 39.315 38.487 0.425 0.000 1.180 584 N HN 0.807 nan 8.380 nan 0.000 0.505 585 I N 0.866 121.595 120.570 0.264 0.000 3.241 585 I HA 0.155 4.325 4.170 -0.000 0.000 0.280 585 I C 1.524 177.794 176.117 0.255 0.000 1.320 585 I CA 0.268 61.730 61.300 0.270 0.000 1.413 585 I CB -0.397 37.645 38.000 0.071 0.000 1.060 585 I HN 0.429 nan 8.210 nan 0.000 0.500 586 G N 2.824 111.724 108.800 0.167 0.000 2.514 586 G HA2 -0.180 3.780 3.960 -0.000 0.000 0.217 586 G HA3 -0.180 3.780 3.960 -0.000 0.000 0.217 586 G C -0.397 174.527 174.900 0.040 0.000 1.198 586 G CA 1.058 46.197 45.100 0.065 0.000 0.780 586 G HN 0.413 nan 8.290 nan 0.000 0.565 587 P HA -0.021 nan 4.420 nan 0.000 0.223 587 P C 0.948 178.090 177.300 -0.263 0.000 1.144 587 P CA 0.594 63.594 63.100 -0.167 0.000 0.783 587 P CB -0.131 31.404 31.700 -0.274 0.000 0.771 588 F N -1.730 118.210 119.950 -0.018 0.000 2.780 588 F HA 0.073 4.600 4.527 -0.000 0.000 0.299 588 F C 1.540 177.320 175.800 -0.033 0.000 1.146 588 F CA 0.032 58.014 58.000 -0.030 0.000 1.428 588 F CB -0.583 38.389 39.000 -0.048 0.000 1.115 588 F HN -0.136 nan 8.300 nan 0.000 0.583 589 L N 0.000 121.276 121.223 0.088 0.000 2.949 589 L HA 0.000 4.340 4.340 -0.000 0.000 0.249 589 L CA 0.000 54.866 54.840 0.043 0.000 0.813 589 L CB 0.000 42.064 42.059 0.009 0.000 0.961 589 L HN 0.000 nan 8.230 nan 0.000 0.502