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_H 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 0.006 0.000 1.140 1 M CA 0.000 55.297 55.300 -0.006 0.000 0.988 1 M CB 0.000 32.596 32.600 -0.006 0.000 1.302 2 P HA 0.265 nan 4.420 nan 0.000 0.267 2 P C -0.578 176.740 177.300 0.030 0.000 1.209 2 P CA 0.591 63.706 63.100 0.025 0.000 0.763 2 P CB 0.912 32.631 31.700 0.031 0.000 0.816 3 T N 2.203 116.780 114.554 0.038 0.000 2.859 3 T HA 0.481 4.832 4.350 0.001 0.000 0.281 3 T C -0.344 174.394 174.700 0.063 0.000 1.005 3 T CA -0.515 61.615 62.100 0.050 0.000 1.025 3 T CB 1.216 70.112 68.868 0.048 0.000 0.977 3 T HN -0.018 nan 8.240 nan 0.000 0.458 4 V N 2.664 122.627 119.914 0.082 0.000 2.447 4 V HA 0.362 4.483 4.120 0.001 0.000 0.292 4 V C -0.094 176.068 176.094 0.114 0.000 1.021 4 V CA -0.759 61.598 62.300 0.095 0.000 0.850 4 V CB 1.851 33.736 31.823 0.103 0.000 1.005 4 V HN 0.995 nan 8.190 nan 0.000 0.426 5 S N 4.044 119.803 115.700 0.099 0.000 2.537 5 S HA 0.708 5.178 4.470 0.001 0.000 0.275 5 S C -0.221 174.437 174.600 0.097 0.000 1.272 5 S CA -0.513 57.746 58.200 0.099 0.000 1.050 5 S CB 1.477 64.720 63.200 0.072 0.000 0.961 5 S HN 0.894 nan 8.310 nan 0.000 0.496 6 V N 0.811 120.781 119.914 0.093 0.000 2.808 6 V HA 0.543 4.663 4.120 0.001 0.000 0.308 6 V C -0.820 175.258 176.094 -0.026 0.000 1.099 6 V CA -1.320 61.018 62.300 0.063 0.000 0.920 6 V CB 1.475 33.364 31.823 0.110 0.000 1.014 6 V HN 0.736 nan 8.190 nan 0.000 0.425 7 K N 3.463 123.834 120.400 -0.047 0.000 2.395 7 K HA 0.138 4.459 4.320 0.001 0.000 0.283 7 K C 1.195 177.648 176.600 -0.244 0.000 1.068 7 K CA 0.017 56.227 56.287 -0.128 0.000 1.039 7 K CB 0.829 33.280 32.500 -0.082 0.000 0.924 7 K HN 0.781 nan 8.250 nan 0.000 0.468 8 R N 3.042 123.271 120.500 -0.453 0.000 2.171 8 R HA -0.254 4.087 4.340 0.001 0.000 0.232 8 R C 0.830 176.654 176.300 -0.792 0.000 1.116 8 R CA 2.518 58.122 56.100 -0.827 0.000 0.901 8 R CB -0.105 29.497 30.300 -1.164 0.000 0.850 8 R HN 0.643 nan 8.270 nan 0.000 0.431 9 D N 0.615 120.633 120.400 -0.636 0.000 2.191 9 D HA -0.245 4.395 4.640 0.001 0.000 0.195 9 D C 1.892 178.065 176.300 -0.211 0.000 1.003 9 D CA 1.283 55.031 54.000 -0.421 0.000 0.867 9 D CB -0.338 40.308 40.800 -0.256 0.000 0.926 9 D HN 0.343 nan 8.370 nan 0.000 0.450 10 L N 0.031 121.154 121.223 -0.167 0.000 2.023 10 L HA -0.067 4.273 4.340 0.001 0.000 0.205 10 L C 2.414 179.290 176.870 0.010 0.000 1.073 10 L CA 0.703 55.510 54.840 -0.055 0.000 0.745 10 L CB -0.193 41.844 42.059 -0.037 0.000 0.900 10 L HN 0.069 nan 8.230 nan 0.000 0.435 11 L N -0.620 120.603 121.223 0.001 0.000 1.990 11 L HA -0.334 4.007 4.340 0.001 0.000 0.213 11 L C 2.520 179.553 176.870 0.273 0.000 1.072 11 L CA 1.972 56.893 54.840 0.135 0.000 0.755 11 L CB -0.454 41.685 42.059 0.133 0.000 0.889 11 L HN 0.211 nan 8.230 nan 0.000 0.432 12 F N -0.354 119.553 119.950 -0.072 0.000 2.095 12 F HA -0.348 4.179 4.527 0.001 0.000 0.298 12 F C 2.825 178.577 175.800 -0.079 0.000 1.104 12 F CA 1.377 59.319 58.000 -0.096 0.000 1.232 12 F CB -0.371 38.546 39.000 -0.138 0.000 0.987 12 F HN 0.296 nan 8.300 nan 0.000 0.475 13 Q N 0.763 120.652 119.800 0.148 0.000 2.096 13 Q HA -0.212 4.128 4.340 0.001 0.000 0.204 13 Q C 2.310 178.349 176.000 0.064 0.000 0.982 13 Q CA 1.551 57.395 55.803 0.068 0.000 0.850 13 Q CB -0.229 28.529 28.738 0.033 0.000 0.901 13 Q HN 0.385 nan 8.270 nan 0.000 0.422 14 A N 0.666 123.537 122.820 0.085 0.000 1.908 14 A HA -0.194 4.126 4.320 0.001 0.000 0.218 14 A C 2.019 179.655 177.584 0.085 0.000 1.181 14 A CA 1.512 53.603 52.037 0.089 0.000 0.627 14 A CB -0.750 18.315 19.000 0.109 0.000 0.818 14 A HN 0.452 nan 8.150 nan 0.000 0.445 15 L N -1.993 119.288 121.223 0.096 0.000 2.005 15 L HA 0.118 4.458 4.340 0.001 0.000 0.207 15 L C 1.811 178.696 176.870 0.024 0.000 1.072 15 L CA 1.070 55.957 54.840 0.079 0.000 0.744 15 L CB -0.588 41.539 42.059 0.114 0.000 0.895 15 L HN 0.640 nan 8.230 nan 0.000 0.433 16 G N -0.055 108.736 108.800 -0.015 0.000 2.155 16 G HA2 -0.115 3.845 3.960 0.001 0.000 0.135 16 G HA3 -0.115 3.845 3.960 0.001 0.000 0.135 16 G C -0.060 174.779 174.900 -0.102 0.000 1.023 16 G CA -0.507 44.572 45.100 -0.035 0.000 0.688 16 G HN 0.255 nan 8.290 nan 0.000 0.499 17 R N -1.391 118.987 120.500 -0.204 0.000 2.741 17 R HA 0.685 5.025 4.340 0.001 0.000 0.274 17 R C -1.364 174.624 176.300 -0.521 0.000 1.029 17 R CA -0.323 55.555 56.100 -0.371 0.000 0.880 17 R CB 1.346 31.313 30.300 -0.556 0.000 1.264 17 R HN 0.250 nan 8.270 nan 0.000 0.465 18 T N 0.685 114.922 114.554 -0.528 0.000 2.807 18 T HA 0.627 4.977 4.350 0.001 0.000 0.279 18 T C -1.544 172.789 174.700 -0.612 0.000 0.993 18 T CA -0.375 61.472 62.100 -0.422 0.000 0.970 18 T CB 0.458 69.302 68.868 -0.040 0.000 0.950 18 T HN 0.289 nan 8.240 nan 0.000 0.441 19 Y N 2.186 122.053 120.300 -0.722 0.000 2.429 19 Y HA 0.472 5.022 4.550 0.000 0.000 0.342 19 Y C 1.213 177.124 175.900 0.018 0.000 1.004 19 Y CA -1.004 56.877 58.100 -0.365 0.000 1.075 19 Y CB 1.655 39.854 38.460 -0.436 0.000 1.214 19 Y HN 0.581 nan 8.280 nan 0.000 0.455 20 T N 1.222 115.932 114.554 0.260 0.000 2.802 20 T HA -0.000 4.350 4.350 0.001 0.000 0.305 20 T C 0.397 175.262 174.700 0.275 0.000 1.053 20 T CA -0.181 62.055 62.100 0.226 0.000 1.058 20 T CB 0.398 69.351 68.868 0.141 0.000 0.988 20 T HN 0.545 nan 8.240 nan 0.000 0.539 21 D N 0.512 121.062 120.400 0.250 0.000 2.392 21 D HA 0.014 4.654 4.640 0.001 0.000 0.228 21 D C 1.523 177.900 176.300 0.129 0.000 1.003 21 D CA 0.714 54.857 54.000 0.238 0.000 0.917 21 D CB 0.199 41.126 40.800 0.211 0.000 0.890 21 D HN 0.452 nan 8.370 nan 0.000 0.532 22 E N -0.173 120.088 120.200 0.101 0.000 2.152 22 E HA 0.064 4.414 4.350 0.001 0.000 0.195 22 E C 1.678 178.285 176.600 0.011 0.000 0.934 22 E CA 0.285 56.705 56.400 0.034 0.000 0.869 22 E CB -0.009 29.702 29.700 0.019 0.000 0.842 22 E HN 0.187 nan 8.360 nan 0.000 0.472 23 E N -0.124 120.102 120.200 0.044 0.000 2.147 23 E HA -0.232 4.118 4.350 0.001 0.000 0.199 23 E C 1.662 178.183 176.600 -0.133 0.000 1.005 23 E CA 1.159 57.553 56.400 -0.009 0.000 0.810 23 E CB -0.164 29.593 29.700 0.096 0.000 0.736 23 E HN 0.162 nan 8.360 nan 0.000 0.460 24 F N 1.426 121.239 119.950 -0.227 0.000 2.219 24 F HA -0.079 4.448 4.527 0.000 0.000 0.294 24 F C 1.991 177.658 175.800 -0.222 0.000 1.086 24 F CA 1.143 58.949 58.000 -0.323 0.000 1.330 24 F CB 0.028 38.932 39.000 -0.161 0.000 1.047 24 F HN -0.135 nan 8.300 nan 0.000 0.495 25 D N 0.363 120.717 120.400 -0.076 0.000 2.221 25 D HA -0.215 4.426 4.640 0.001 0.000 0.204 25 D C 2.006 178.215 176.300 -0.152 0.000 0.982 25 D CA 1.176 55.100 54.000 -0.126 0.000 0.857 25 D CB -0.057 40.709 40.800 -0.057 0.000 0.934 25 D HN 0.342 nan 8.370 nan 0.000 0.475 26 E N 0.044 120.149 120.200 -0.159 0.000 2.016 26 E HA -0.072 4.278 4.350 0.001 0.000 0.190 26 E C 2.129 178.655 176.600 -0.123 0.000 0.985 26 E CA 0.328 56.650 56.400 -0.131 0.000 0.802 26 E CB -0.698 28.927 29.700 -0.126 0.000 0.762 26 E HN 0.188 nan 8.360 nan 0.000 0.448 27 L N 0.551 121.612 121.223 -0.271 0.000 2.081 27 L HA -0.248 4.093 4.340 0.001 0.000 0.212 27 L C 2.143 178.841 176.870 -0.287 0.000 1.080 27 L CA 1.774 56.432 54.840 -0.302 0.000 0.754 27 L CB -1.063 40.664 42.059 -0.554 0.000 0.893 27 L HN 0.378 nan 8.230 nan 0.000 0.433 28 C N -0.724 118.318 119.300 -0.431 0.000 2.413 28 C HA -0.240 4.220 4.460 0.001 0.000 0.278 28 C C 2.597 177.529 174.990 -0.097 0.000 1.224 28 C CA 1.000 59.833 59.018 -0.308 0.000 1.732 28 C CB -1.294 26.255 27.740 -0.318 0.000 2.050 28 C HN 0.618 nan 8.230 nan 0.000 0.463 29 F N 1.597 121.432 119.950 -0.193 0.000 2.065 29 F HA -0.237 4.291 4.527 0.000 0.000 0.298 29 F C 2.488 178.204 175.800 -0.140 0.000 1.112 29 F CA 2.354 60.264 58.000 -0.149 0.000 1.212 29 F CB -0.556 38.370 39.000 -0.122 0.000 0.975 29 F HN 0.329 nan 8.300 nan 0.000 0.476 30 E N -1.364 118.925 120.200 0.148 0.000 2.273 30 E HA -0.296 4.055 4.350 0.001 0.000 0.198 30 E C 1.323 177.939 176.600 0.027 0.000 1.002 30 E CA 1.129 57.607 56.400 0.130 0.000 0.828 30 E CB -0.334 29.492 29.700 0.210 0.000 0.747 30 E HN 0.451 nan 8.360 nan 0.000 0.491 31 F N -0.844 118.904 119.950 -0.337 0.000 2.698 31 F HA 0.331 4.858 4.527 0.000 0.000 0.304 31 F C 0.974 176.484 175.800 -0.483 0.000 1.108 31 F CA 0.670 58.298 58.000 -0.620 0.000 1.263 31 F CB 1.056 39.640 39.000 -0.693 0.000 1.013 31 F HN 0.083 nan 8.300 nan 0.000 0.532 32 G N 1.426 109.948 108.800 -0.464 0.000 2.162 32 G HA2 -0.288 3.673 3.960 0.001 0.000 0.260 32 G HA3 -0.288 3.673 3.960 0.001 0.000 0.260 32 G C 0.240 174.951 174.900 -0.315 0.000 0.976 32 G CA 0.544 45.356 45.100 -0.480 0.000 0.655 32 G HN 0.379 nan 8.290 nan 0.000 0.533 33 L N -0.697 120.405 121.223 -0.201 0.000 2.440 33 L HA 0.870 5.210 4.340 0.001 0.000 0.262 33 L C 0.506 177.315 176.870 -0.102 0.000 1.072 33 L CA -0.899 53.873 54.840 -0.112 0.000 0.798 33 L CB 1.458 43.493 42.059 -0.040 0.000 1.307 33 L HN 0.218 nan 8.230 nan 0.000 0.475 34 E N 0.565 120.731 120.200 -0.057 0.000 2.311 34 E HA 0.238 4.588 4.350 0.001 0.000 0.281 34 E C -1.531 175.066 176.600 -0.005 0.000 0.905 34 E CA -0.558 55.828 56.400 -0.025 0.000 0.778 34 E CB 2.051 31.742 29.700 -0.015 0.000 1.240 34 E HN 0.481 nan 8.360 nan 0.000 0.410 35 L N 5.285 126.501 121.223 -0.012 0.000 2.399 35 L HA 0.115 4.456 4.340 0.001 0.000 0.257 35 L C 0.838 177.725 176.870 0.027 0.000 1.236 35 L CA -0.023 54.819 54.840 0.005 0.000 1.144 35 L CB -0.073 41.956 42.059 -0.050 0.000 1.379 35 L HN 0.753 nan 8.230 nan 0.000 0.414 36 D N 2.179 122.606 120.400 0.045 0.000 2.154 36 D HA -0.222 4.419 4.640 0.001 0.000 0.190 36 D C 0.504 176.838 176.300 0.056 0.000 1.003 36 D CA 2.014 56.042 54.000 0.047 0.000 0.849 36 D CB 0.420 41.250 40.800 0.049 0.000 0.942 36 D HN 0.750 nan 8.370 nan 0.000 0.446 37 E N -1.838 118.410 120.200 0.080 0.000 2.416 37 E HA 0.415 4.765 4.350 0.001 0.000 0.280 37 E C -1.180 175.507 176.600 0.145 0.000 1.055 37 E CA -0.802 55.653 56.400 0.091 0.000 0.825 37 E CB 0.865 30.609 29.700 0.073 0.000 1.312 37 E HN 0.040 nan 8.360 nan 0.000 0.452 38 I N 1.925 122.584 120.570 0.149 0.000 2.466 38 I HA 0.351 4.521 4.170 0.001 0.000 0.279 38 I C -0.610 175.573 176.117 0.110 0.000 1.033 38 I CA -0.457 60.962 61.300 0.199 0.000 1.123 38 I CB 1.651 39.815 38.000 0.273 0.000 1.237 38 I HN 0.722 nan 8.210 nan 0.000 0.460 39 T N 1.023 115.626 114.554 0.081 0.000 2.901 39 T HA 0.605 4.955 4.350 0.001 0.000 0.293 39 T C -0.126 174.586 174.700 0.021 0.000 1.084 39 T CA -0.605 61.523 62.100 0.045 0.000 1.008 39 T CB 1.988 70.881 68.868 0.042 0.000 1.170 39 T HN 0.270 nan 8.240 nan 0.000 0.509 40 S N 0.951 116.656 115.700 0.008 0.000 2.681 40 S HA 0.304 4.774 4.470 0.001 0.000 0.270 40 S C 1.218 175.819 174.600 0.001 0.000 1.209 40 S CA -0.817 57.379 58.200 -0.007 0.000 0.988 40 S CB 1.305 64.499 63.200 -0.010 0.000 1.006 40 S HN 0.883 nan 8.310 nan 0.000 0.558 41 E N 1.853 122.052 120.200 -0.003 0.000 2.005 41 E HA -0.200 4.151 4.350 0.001 0.000 0.198 41 E C 1.964 178.568 176.600 0.007 0.000 1.010 41 E CA 1.610 58.012 56.400 0.004 0.000 0.825 41 E CB -0.430 29.271 29.700 0.002 0.000 0.769 41 E HN 0.635 nan 8.360 nan 0.000 0.456 42 K N 0.561 120.963 120.400 0.004 0.000 2.034 42 K HA -0.243 4.078 4.320 0.001 0.000 0.214 42 K C 2.067 178.672 176.600 0.008 0.000 1.051 42 K CA 2.146 58.436 56.287 0.006 0.000 0.931 42 K CB -0.251 32.251 32.500 0.003 0.000 0.715 42 K HN 0.165 nan 8.250 nan 0.000 0.446 43 E N 0.411 120.616 120.200 0.008 0.000 2.277 43 E HA -0.274 4.077 4.350 0.001 0.000 0.216 43 E C 1.906 178.514 176.600 0.014 0.000 1.068 43 E CA 2.041 58.448 56.400 0.012 0.000 0.866 43 E CB -0.365 29.343 29.700 0.015 0.000 0.749 43 E HN 0.445 nan 8.360 nan 0.000 0.465 44 I N 0.120 120.699 120.570 0.014 0.000 2.951 44 I HA -0.242 3.929 4.170 0.001 0.000 0.203 44 I C 2.250 178.375 176.117 0.012 0.000 1.047 44 I CA 0.675 61.984 61.300 0.015 0.000 1.399 44 I CB -0.678 37.332 38.000 0.017 0.000 1.246 44 I HN 0.035 nan 8.210 nan 0.000 0.411 45 I N 0.344 120.921 120.570 0.011 0.000 3.363 45 I HA -0.478 3.692 4.170 0.001 0.000 0.192 45 I C 1.798 177.920 176.117 0.009 0.000 0.778 45 I CA 1.979 63.285 61.300 0.010 0.000 1.105 45 I CB -1.332 36.673 38.000 0.009 0.000 0.877 45 I HN 0.368 nan 8.210 nan 0.000 0.324 46 S N 1.267 116.973 115.700 0.009 0.000 4.175 46 S HA 0.104 4.574 4.470 0.001 0.000 0.193 46 S C 0.761 175.367 174.600 0.010 0.000 1.373 46 S CA -0.002 58.204 58.200 0.009 0.000 0.908 46 S CB -0.395 62.810 63.200 0.008 0.000 1.547 46 S HN 0.250 nan 8.310 nan 0.000 0.440 47 K N 1.454 121.860 120.400 0.010 0.000 2.589 47 K HA 0.122 4.443 4.320 0.001 0.000 0.218 47 K C 0.448 177.054 176.600 0.010 0.000 1.468 47 K CA 0.392 56.685 56.287 0.011 0.000 1.002 47 K CB 0.687 33.195 32.500 0.013 0.000 1.200 47 K HN 0.779 nan 8.250 nan 0.000 0.614 48 E N -0.500 119.706 120.200 0.010 0.000 3.008 48 E HA 0.088 4.439 4.350 0.001 0.000 0.131 48 E C 0.628 177.233 176.600 0.009 0.000 0.872 48 E CA -0.022 56.384 56.400 0.009 0.000 1.451 48 E CB 0.183 29.888 29.700 0.010 0.000 0.975 48 E HN 0.034 nan 8.360 nan 0.000 0.404 49 Q N 0.038 119.843 119.800 0.008 0.000 2.164 49 Q HA 0.464 4.805 4.340 0.001 0.000 0.165 49 Q C 0.754 176.758 176.000 0.007 0.000 0.570 49 Q CA 0.825 56.632 55.803 0.008 0.000 0.759 49 Q CB 0.983 29.726 28.738 0.008 0.000 1.059 49 Q HN 0.169 nan 8.270 nan 0.000 0.464 50 G N -0.189 108.615 108.800 0.007 0.000 3.125 50 G HA2 0.204 4.164 3.960 0.001 0.000 0.136 50 G HA3 0.204 4.164 3.960 0.001 0.000 0.136 50 G C -0.421 174.483 174.900 0.007 0.000 1.411 50 G CA 0.003 45.107 45.100 0.007 0.000 1.130 50 G HN 0.307 nan 8.290 nan 0.000 0.701 51 N N 0.646 119.350 118.700 0.007 0.000 2.861 51 N HA 0.098 4.838 4.740 0.001 0.000 0.203 51 N C -0.067 175.447 175.510 0.006 0.000 1.339 51 N CA -0.005 53.049 53.050 0.006 0.000 1.208 51 N CB 1.593 40.083 38.487 0.006 0.000 1.579 51 N HN 0.112 nan 8.380 nan 0.000 0.583 52 V N 0.951 120.869 119.914 0.007 0.000 3.387 52 V HA 0.015 4.135 4.120 0.001 0.000 0.353 52 V C 0.939 177.037 176.094 0.006 0.000 1.193 52 V CA 0.264 62.568 62.300 0.007 0.000 1.379 52 V CB -1.214 30.613 31.823 0.007 0.000 1.157 52 V HN 0.099 nan 8.190 nan 0.000 0.431 53 K N 2.230 122.634 120.400 0.006 0.000 2.447 53 K HA 0.436 4.756 4.320 0.001 0.000 0.281 53 K C 0.265 176.868 176.600 0.005 0.000 1.031 53 K CA 0.358 56.648 56.287 0.005 0.000 1.019 53 K CB 0.748 33.251 32.500 0.005 0.000 0.918 53 K HN 0.399 nan 8.250 nan 0.000 0.476 54 A N 2.420 125.243 122.820 0.004 0.000 2.646 54 A HA 0.475 4.795 4.320 0.001 0.000 0.312 54 A C -0.381 177.204 177.584 0.001 0.000 1.245 54 A CA -0.685 51.354 52.037 0.003 0.000 0.755 54 A CB 0.875 19.878 19.000 0.004 0.000 1.132 54 A HN 0.689 nan 8.150 nan 0.000 0.458 55 A N 1.470 124.291 122.820 0.000 0.000 2.774 55 A HA 0.624 4.945 4.320 0.001 0.000 0.326 55 A C 0.973 178.555 177.584 -0.003 0.000 1.478 55 A CA 0.334 52.370 52.037 -0.002 0.000 1.099 55 A CB -0.463 18.536 19.000 -0.001 0.000 1.148 55 A HN 1.468 nan 8.150 nan 0.000 0.519 56 G N 0.185 108.983 108.800 -0.004 0.000 2.472 56 G HA2 0.396 4.356 3.960 0.001 0.000 0.212 56 G HA3 0.396 4.356 3.960 0.001 0.000 0.212 56 G C 0.636 175.531 174.900 -0.008 0.000 1.484 56 G CA 0.751 45.848 45.100 -0.005 0.000 0.542 56 G HN 1.332 nan 8.290 nan 0.000 1.118 57 A N 0.221 123.036 122.820 -0.008 0.000 2.674 57 A HA 0.607 4.928 4.320 0.001 0.000 0.274 57 A C 1.499 179.077 177.584 -0.011 0.000 1.065 57 A CA 1.175 53.206 52.037 -0.011 0.000 0.978 57 A CB 0.197 19.192 19.000 -0.007 0.000 1.242 57 A HN 0.160 nan 8.150 nan 0.000 0.583 58 S N 0.367 116.063 115.700 -0.008 0.000 2.456 58 S HA -0.012 4.459 4.470 0.001 0.000 0.224 58 S C 0.672 175.264 174.600 -0.012 0.000 1.035 58 S CA 0.331 58.527 58.200 -0.006 0.000 0.940 58 S CB -0.106 63.093 63.200 -0.001 0.000 0.799 58 S HN 0.523 nan 8.310 nan 0.000 0.508 59 D N 2.577 122.968 120.400 -0.014 0.000 2.636 59 D HA 0.042 4.682 4.640 0.001 0.000 0.256 59 D C -0.538 175.742 176.300 -0.033 0.000 1.280 59 D CA 0.278 54.267 54.000 -0.019 0.000 0.910 59 D CB -0.196 40.595 40.800 -0.015 0.000 1.045 59 D HN 0.129 nan 8.370 nan 0.000 0.472 60 V N 1.836 121.726 119.914 -0.040 0.000 2.356 60 V HA 0.021 4.142 4.120 0.001 0.000 0.258 60 V C 0.776 176.821 176.094 -0.082 0.000 1.065 60 V CA -0.568 61.694 62.300 -0.064 0.000 0.935 60 V CB 1.201 32.989 31.823 -0.059 0.000 1.061 60 V HN -0.102 nan 8.190 nan 0.000 0.484 61 V N 7.743 127.594 119.914 -0.104 0.000 2.529 61 V HA 0.169 4.289 4.120 0.001 0.000 0.292 61 V C 0.200 176.167 176.094 -0.213 0.000 1.028 61 V CA 0.274 62.500 62.300 -0.123 0.000 1.074 61 V CB 0.504 32.259 31.823 -0.114 0.000 0.958 61 V HN 0.749 nan 8.190 nan 0.000 0.481 62 L N 3.207 124.334 121.223 -0.160 0.000 2.354 62 L HA 0.736 5.077 4.340 0.001 0.000 0.264 62 L C -1.259 175.579 176.870 -0.053 0.000 1.008 62 L CA -1.172 53.560 54.840 -0.180 0.000 0.819 62 L CB 1.781 43.798 42.059 -0.070 0.000 1.339 62 L HN 0.296 nan 8.230 nan 0.000 0.420 63 Y N 0.710 121.004 120.300 -0.011 0.000 2.304 63 Y HA 0.418 4.969 4.550 0.000 0.000 0.328 63 Y C 0.139 176.087 175.900 0.079 0.000 1.123 63 Y CA -0.879 57.252 58.100 0.052 0.000 1.218 63 Y CB 1.350 39.861 38.460 0.085 0.000 1.207 63 Y HN 0.511 nan 8.280 nan 0.000 0.495 64 K N 4.228 124.787 120.400 0.266 0.000 2.296 64 K HA 0.437 4.757 4.320 0.001 0.000 0.257 64 K C -1.119 175.575 176.600 0.157 0.000 1.088 64 K CA 0.087 56.474 56.287 0.167 0.000 0.980 64 K CB -0.468 32.104 32.500 0.121 0.000 1.430 64 K HN 0.570 nan 8.250 nan 0.000 0.441 65 I N 2.222 122.895 120.570 0.172 0.000 2.365 65 I HA 0.163 4.333 4.170 0.001 0.000 0.291 65 I C 0.054 176.225 176.117 0.091 0.000 1.004 65 I CA -0.651 60.737 61.300 0.147 0.000 1.311 65 I CB 1.342 39.464 38.000 0.202 0.000 1.401 65 I HN 0.507 nan 8.210 nan 0.000 0.491 66 D N 4.873 125.306 120.400 0.055 0.000 2.177 66 D HA 0.531 5.171 4.640 0.001 0.000 0.247 66 D C -1.025 175.280 176.300 0.008 0.000 1.063 66 D CA -0.030 53.986 54.000 0.027 0.000 0.867 66 D CB 1.548 42.353 40.800 0.009 0.000 1.168 66 D HN 0.087 nan 8.370 nan 0.000 0.445 67 V N 4.600 124.515 119.914 0.002 0.000 2.876 67 V HA 0.486 4.606 4.120 0.001 0.000 0.312 67 V C -2.186 173.877 176.094 -0.052 0.000 1.085 67 V CA -1.689 60.599 62.300 -0.020 0.000 0.945 67 V CB 2.137 33.967 31.823 0.013 0.000 1.017 67 V HN 0.575 nan 8.190 nan 0.000 0.428 68 P HA 0.064 nan 4.420 nan 0.000 0.267 68 P C 0.330 177.557 177.300 -0.121 0.000 1.209 68 P CA 0.086 63.112 63.100 -0.123 0.000 0.763 68 P CB 1.043 32.637 31.700 -0.178 0.000 0.816 69 A N 3.401 126.165 122.820 -0.092 0.000 2.277 69 A HA -0.175 4.146 4.320 0.001 0.000 0.208 69 A C 1.839 179.324 177.584 -0.166 0.000 1.202 69 A CA 1.082 53.077 52.037 -0.070 0.000 0.762 69 A CB -1.210 17.775 19.000 -0.025 0.000 0.770 69 A HN 0.520 nan 8.150 nan 0.000 0.487 70 N N -0.311 118.235 118.700 -0.256 0.000 2.322 70 N HA 0.031 4.771 4.740 0.001 0.000 0.186 70 N C 0.236 175.349 175.510 -0.662 0.000 1.037 70 N CA 0.481 53.299 53.050 -0.386 0.000 0.869 70 N CB 0.025 38.359 38.487 -0.255 0.000 1.036 70 N HN 0.225 nan 8.380 nan 0.000 0.439 71 R N 0.706 120.942 120.500 -0.439 0.000 2.343 71 R HA 0.112 4.453 4.340 0.001 0.000 0.326 71 R C 0.196 176.303 176.300 -0.323 0.000 1.055 71 R CA 0.219 56.093 56.100 -0.376 0.000 0.961 71 R CB -0.417 29.758 30.300 -0.208 0.000 0.978 71 R HN 0.459 nan 8.270 nan 0.000 0.443 72 Y N 0.306 120.559 120.300 -0.080 0.000 2.448 72 Y HA -0.061 4.489 4.550 0.001 0.000 0.289 72 Y C 1.399 177.253 175.900 -0.078 0.000 1.114 72 Y CA 0.154 58.209 58.100 -0.077 0.000 1.235 72 Y CB 0.315 38.719 38.460 -0.093 0.000 1.045 72 Y HN 0.569 nan 8.280 nan 0.000 0.554 73 D N 0.741 121.158 120.400 0.028 0.000 2.348 73 D HA -0.067 4.573 4.640 0.001 0.000 0.248 73 D C 0.422 176.736 176.300 0.023 0.000 1.142 73 D CA 0.738 54.723 54.000 -0.025 0.000 0.904 73 D CB -0.232 40.482 40.800 -0.143 0.000 0.901 73 D HN 0.416 nan 8.370 nan 0.000 0.523 74 L N 0.280 121.529 121.223 0.043 0.000 3.291 74 L HA 0.264 4.605 4.340 0.001 0.000 0.307 74 L C 1.034 177.945 176.870 0.068 0.000 1.303 74 L CA -0.111 54.770 54.840 0.069 0.000 0.949 74 L CB 0.510 42.616 42.059 0.079 0.000 1.375 74 L HN -0.093 nan 8.230 nan 0.000 0.596 75 L N 0.093 121.355 121.223 0.065 0.000 2.728 75 L HA 0.225 4.566 4.340 0.001 0.000 0.238 75 L C 0.403 177.317 176.870 0.074 0.000 1.143 75 L CA -0.107 54.773 54.840 0.067 0.000 0.937 75 L CB 0.393 42.490 42.059 0.062 0.000 1.225 75 L HN 0.500 nan 8.230 nan 0.000 0.507 76 C N -4.237 115.109 119.300 0.077 0.000 3.291 76 C HA 0.329 4.789 4.460 0.001 0.000 0.316 76 C C 1.369 176.407 174.990 0.081 0.000 1.391 76 C CA -1.165 57.908 59.018 0.093 0.000 1.394 76 C CB 1.220 29.026 27.740 0.110 0.000 1.744 76 C HN 0.267 nan 8.230 nan 0.000 0.461 77 L N 0.853 122.133 121.223 0.095 0.000 2.046 77 L HA -0.054 4.286 4.340 0.001 0.000 0.208 77 L C 2.486 179.390 176.870 0.056 0.000 1.077 77 L CA 2.094 56.993 54.840 0.098 0.000 0.747 77 L CB -0.317 41.810 42.059 0.113 0.000 0.896 77 L HN 0.925 nan 8.230 nan 0.000 0.432 78 E N 0.288 120.472 120.200 -0.026 0.000 2.130 78 E HA -0.194 4.156 4.350 0.001 0.000 0.196 78 E C 1.991 178.565 176.600 -0.042 0.000 0.998 78 E CA 1.406 57.735 56.400 -0.119 0.000 0.806 78 E CB -0.729 28.701 29.700 -0.450 0.000 0.738 78 E HN 0.662 nan 8.360 nan 0.000 0.459 79 G N -0.073 108.716 108.800 -0.018 0.000 2.404 79 G HA2 -0.184 3.776 3.960 0.001 0.000 0.214 79 G HA3 -0.184 3.776 3.960 0.001 0.000 0.214 79 G C 1.392 176.349 174.900 0.096 0.000 1.189 79 G CA 0.385 45.514 45.100 0.047 0.000 0.789 79 G HN 0.118 nan 8.290 nan 0.000 0.533 80 L N 0.644 121.924 121.223 0.094 0.000 2.042 80 L HA -0.058 4.282 4.340 0.001 0.000 0.210 80 L C 3.089 180.006 176.870 0.078 0.000 1.076 80 L CA 0.947 55.848 54.840 0.102 0.000 0.749 80 L CB -0.687 41.457 42.059 0.141 0.000 0.893 80 L HN 0.093 nan 8.230 nan 0.000 0.432 81 V N -0.933 119.041 119.914 0.099 0.000 2.358 81 V HA -0.282 3.838 4.120 0.001 0.000 0.246 81 V C 2.703 178.835 176.094 0.064 0.000 1.047 81 V CA 1.775 64.133 62.300 0.098 0.000 1.035 81 V CB -0.543 31.345 31.823 0.108 0.000 0.658 81 V HN 0.395 nan 8.190 nan 0.000 0.452 82 R N 0.334 120.882 120.500 0.081 0.000 2.075 82 R HA -0.072 4.268 4.340 0.001 0.000 0.232 82 R C 2.326 178.648 176.300 0.037 0.000 1.126 82 R CA 1.663 57.817 56.100 0.089 0.000 0.963 82 R CB -0.888 29.522 30.300 0.184 0.000 0.858 82 R HN 0.501 nan 8.270 nan 0.000 0.435 83 G N 0.662 109.524 108.800 0.103 0.000 2.453 83 G HA2 -0.241 3.719 3.960 0.001 0.000 0.215 83 G HA3 -0.241 3.719 3.960 0.001 0.000 0.215 83 G C 1.386 176.150 174.900 -0.228 0.000 1.201 83 G CA 0.907 46.047 45.100 0.067 0.000 0.784 83 G HN 0.254 nan 8.290 nan 0.000 0.545 84 L N -0.168 120.844 121.223 -0.352 0.000 2.079 84 L HA -0.138 4.202 4.340 0.001 0.000 0.210 84 L C 3.006 179.809 176.870 -0.112 0.000 1.081 84 L CA 1.252 55.858 54.840 -0.390 0.000 0.752 84 L CB -0.419 41.488 42.059 -0.252 0.000 0.896 84 L HN 0.233 nan 8.230 nan 0.000 0.433 85 Q N -0.057 119.707 119.800 -0.061 0.000 2.050 85 Q HA -0.158 4.182 4.340 0.001 0.000 0.202 85 Q C 2.168 178.134 176.000 -0.056 0.000 0.980 85 Q CA 1.742 57.529 55.803 -0.026 0.000 0.840 85 Q CB -0.209 28.525 28.738 -0.007 0.000 0.898 85 Q HN 0.330 nan 8.270 nan 0.000 0.424 86 V N 0.114 119.964 119.914 -0.107 0.000 2.548 86 V HA -0.153 3.967 4.120 0.001 0.000 0.249 86 V C 1.880 177.947 176.094 -0.045 0.000 1.055 86 V CA 1.397 63.617 62.300 -0.134 0.000 1.065 86 V CB -0.717 30.919 31.823 -0.311 0.000 0.681 86 V HN 0.354 nan 8.190 nan 0.000 0.462 87 F N 1.730 121.579 119.950 -0.168 0.000 2.202 87 F HA -0.130 4.398 4.527 0.001 0.000 0.301 87 F C 1.871 177.632 175.800 -0.066 0.000 1.082 87 F CA 1.403 59.350 58.000 -0.088 0.000 1.313 87 F CB 0.042 38.924 39.000 -0.197 0.000 1.024 87 F HN 0.039 nan 8.300 nan 0.000 0.495 88 K N 1.481 121.793 120.400 -0.147 0.000 2.493 88 K HA 0.052 4.372 4.320 0.001 0.000 0.207 88 K C 0.089 176.612 176.600 -0.128 0.000 1.033 88 K CA 0.548 56.715 56.287 -0.201 0.000 1.161 88 K CB -0.981 31.466 32.500 -0.088 0.000 0.873 88 K HN 0.537 nan 8.250 nan 0.000 0.491 89 E N 0.252 120.382 120.200 -0.117 0.000 2.325 89 E HA -0.297 4.053 4.350 0.001 0.000 0.232 89 E C 0.121 176.686 176.600 -0.058 0.000 1.276 89 E CA 0.666 57.016 56.400 -0.083 0.000 0.717 89 E CB -1.664 27.986 29.700 -0.083 0.000 1.192 89 E HN 0.330 nan 8.360 nan 0.000 0.380 90 R N 0.254 120.726 120.500 -0.046 0.000 2.310 90 R HA 0.410 4.750 4.340 0.001 0.000 0.202 90 R C 1.032 177.318 176.300 -0.023 0.000 0.933 90 R CA 0.648 56.733 56.100 -0.025 0.000 1.054 90 R CB 0.504 30.801 30.300 -0.006 0.000 0.985 90 R HN 0.421 nan 8.270 nan 0.000 0.489 91 I N -0.127 120.421 120.570 -0.037 0.000 2.908 91 I HA 0.185 4.355 4.170 0.001 0.000 0.300 91 I C -1.593 174.488 176.117 -0.061 0.000 1.385 91 I CA -1.011 60.268 61.300 -0.036 0.000 1.004 91 I CB 2.159 40.144 38.000 -0.025 0.000 1.309 91 I HN -0.165 nan 8.210 nan 0.000 0.449 92 K N 4.770 125.137 120.400 -0.056 0.000 2.218 92 K HA 0.632 4.952 4.320 0.001 0.000 0.276 92 K C -0.276 176.254 176.600 -0.116 0.000 1.022 92 K CA -0.263 55.978 56.287 -0.075 0.000 0.946 92 K CB 1.387 33.852 32.500 -0.057 0.000 1.000 92 K HN 0.659 nan 8.250 nan 0.000 0.468 93 A N 5.534 128.265 122.820 -0.148 0.000 2.454 93 A HA 0.249 4.569 4.320 0.001 0.000 0.260 93 A C -2.040 175.406 177.584 -0.230 0.000 1.106 93 A CA -1.158 50.756 52.037 -0.205 0.000 0.780 93 A CB -0.350 18.529 19.000 -0.201 0.000 1.044 93 A HN 0.654 nan 8.150 nan 0.000 0.498 94 P HA 0.309 nan 4.420 nan 0.000 0.274 94 P C -0.721 176.068 177.300 -0.851 0.000 1.231 94 P CA -0.137 62.537 63.100 -0.710 0.000 0.790 94 P CB 0.951 31.811 31.700 -1.399 0.000 0.951 95 V N 2.840 122.338 119.914 -0.693 0.000 2.483 95 V HA 0.254 4.374 4.120 0.001 0.000 0.295 95 V C -0.405 175.361 176.094 -0.547 0.000 1.035 95 V CA -0.545 61.444 62.300 -0.517 0.000 0.896 95 V CB 0.641 32.325 31.823 -0.232 0.000 0.986 95 V HN 0.382 nan 8.190 nan 0.000 0.447 96 Y N 3.117 123.484 120.300 0.112 0.000 2.385 96 Y HA 0.590 5.140 4.550 0.001 0.000 0.341 96 Y C 0.354 176.329 175.900 0.125 0.000 0.965 96 Y CA -0.701 57.490 58.100 0.152 0.000 1.180 96 Y CB 0.870 39.441 38.460 0.186 0.000 1.139 96 Y HN 0.494 nan 8.280 nan 0.000 0.502 97 K N 3.305 123.825 120.400 0.200 0.000 2.259 97 K HA 0.624 4.945 4.320 0.001 0.000 0.252 97 K C -0.662 176.023 176.600 0.142 0.000 0.936 97 K CA -1.283 55.074 56.287 0.117 0.000 0.810 97 K CB 2.021 34.551 32.500 0.050 0.000 1.143 97 K HN 0.599 nan 8.250 nan 0.000 0.427 98 R N 0.053 120.623 120.500 0.116 0.000 2.346 98 R HA 0.445 4.785 4.340 0.001 0.000 0.311 98 R C -0.372 175.979 176.300 0.086 0.000 0.983 98 R CA -0.758 55.409 56.100 0.112 0.000 0.880 98 R CB 0.791 31.156 30.300 0.109 0.000 1.100 98 R HN 0.389 nan 8.270 nan 0.000 0.453 99 V N 0.064 120.031 119.914 0.088 0.000 2.994 99 V HA 0.611 4.732 4.120 0.001 0.000 0.318 99 V C -0.022 176.117 176.094 0.076 0.000 1.085 99 V CA -1.343 61.001 62.300 0.074 0.000 0.998 99 V CB 1.862 33.728 31.823 0.072 0.000 1.063 99 V HN 0.676 nan 8.190 nan 0.000 0.447 100 M N 3.508 123.147 119.600 0.066 0.000 2.233 100 M HA 0.529 5.010 4.480 0.001 0.000 0.355 100 M C -2.093 174.249 176.300 0.069 0.000 1.191 100 M CA -2.074 53.267 55.300 0.068 0.000 1.101 100 M CB 0.600 33.235 32.600 0.058 0.000 1.592 100 M HN 0.694 nan 8.290 nan 0.000 0.461 101 P HA 0.263 nan 4.420 nan 0.000 0.293 101 P C -0.976 176.362 177.300 0.063 0.000 1.304 101 P CA -0.383 62.762 63.100 0.074 0.000 0.767 101 P CB 0.866 32.619 31.700 0.088 0.000 1.247 102 D N -0.420 120.015 120.400 0.059 0.000 2.522 102 D HA 0.281 4.921 4.640 0.001 0.000 0.218 102 D C 1.390 177.719 176.300 0.050 0.000 1.149 102 D CA 0.372 54.402 54.000 0.050 0.000 0.981 102 D CB -0.202 40.624 40.800 0.044 0.000 1.041 102 D HN 0.702 nan 8.370 nan 0.000 0.518 103 G N 3.075 111.905 108.800 0.051 0.000 2.779 103 G HA2 -0.394 3.566 3.960 0.001 0.000 0.230 103 G HA3 -0.394 3.566 3.960 0.001 0.000 0.230 103 G C 0.793 175.728 174.900 0.059 0.000 1.243 103 G CA -0.094 45.035 45.100 0.050 0.000 0.769 103 G HN 0.475 nan 8.290 nan 0.000 0.516 104 K N 1.814 122.252 120.400 0.065 0.000 2.972 104 K HA 0.190 4.510 4.320 0.001 0.000 0.257 104 K C 0.631 177.292 176.600 0.102 0.000 1.118 104 K CA -0.187 56.147 56.287 0.078 0.000 1.142 104 K CB -0.269 32.279 32.500 0.081 0.000 1.252 104 K HN 0.367 nan 8.250 nan 0.000 0.266 105 I N 2.841 123.470 120.570 0.098 0.000 2.553 105 I HA -0.064 4.106 4.170 0.001 0.000 0.295 105 I C 0.530 176.737 176.117 0.149 0.000 1.128 105 I CA 0.304 61.673 61.300 0.116 0.000 2.128 105 I CB -1.475 36.585 38.000 0.099 0.000 1.543 105 I HN 0.327 nan 8.210 nan 0.000 0.970 106 Q N 4.540 124.450 119.800 0.183 0.000 2.568 106 Q HA -0.101 4.239 4.340 0.001 0.000 0.367 106 Q C 0.452 176.611 176.000 0.265 0.000 1.138 106 Q CA 1.041 56.996 55.803 0.253 0.000 1.109 106 Q CB 0.422 29.345 28.738 0.310 0.000 1.138 106 Q HN 0.653 nan 8.270 nan 0.000 0.419 107 K N 0.853 121.434 120.400 0.302 0.000 2.498 107 K HA 0.621 4.942 4.320 0.001 0.000 0.254 107 K C -1.279 175.522 176.600 0.336 0.000 0.933 107 K CA -0.975 55.474 56.287 0.270 0.000 0.806 107 K CB 1.677 34.289 32.500 0.187 0.000 1.301 107 K HN 0.404 nan 8.250 nan 0.000 0.432 108 L N 4.349 125.734 121.223 0.270 0.000 2.356 108 L HA 0.484 4.824 4.340 0.001 0.000 0.277 108 L C -1.441 175.526 176.870 0.161 0.000 0.996 108 L CA -0.798 54.196 54.840 0.257 0.000 0.822 108 L CB 1.490 43.684 42.059 0.226 0.000 1.256 108 L HN 0.738 nan 8.230 nan 0.000 0.413 109 I N 5.932 126.601 120.570 0.165 0.000 2.377 109 I HA 0.418 4.588 4.170 0.001 0.000 0.293 109 I C 0.415 176.603 176.117 0.118 0.000 0.987 109 I CA -0.613 60.757 61.300 0.117 0.000 1.185 109 I CB 1.600 39.665 38.000 0.109 0.000 1.341 109 I HN 0.512 nan 8.210 nan 0.000 0.455 110 I N 5.206 125.815 120.570 0.066 0.000 2.428 110 I HA 0.351 4.521 4.170 0.001 0.000 0.296 110 I C 0.892 177.043 176.117 0.057 0.000 0.985 110 I CA -0.289 61.058 61.300 0.079 0.000 1.260 110 I CB 1.909 39.897 38.000 -0.020 0.000 1.389 110 I HN 0.692 nan 8.210 nan 0.000 0.484 111 T N 0.272 114.833 114.554 0.012 0.000 2.870 111 T HA 0.337 4.687 4.350 0.001 0.000 0.277 111 T C 0.748 175.448 174.700 -0.000 0.000 1.000 111 T CA -0.644 61.461 62.100 0.009 0.000 0.982 111 T CB 1.837 70.698 68.868 -0.013 0.000 1.249 111 T HN 0.452 nan 8.240 nan 0.000 0.589 112 E N 0.399 120.603 120.200 0.007 0.000 2.072 112 E HA -0.057 4.294 4.350 0.001 0.000 0.190 112 E C 1.868 178.453 176.600 -0.024 0.000 0.982 112 E CA 1.013 57.418 56.400 0.008 0.000 0.803 112 E CB -0.303 29.407 29.700 0.017 0.000 0.755 112 E HN 0.697 nan 8.360 nan 0.000 0.453 113 E N 0.093 120.267 120.200 -0.044 0.000 2.455 113 E HA -0.100 4.250 4.350 0.001 0.000 0.202 113 E C 1.693 178.227 176.600 -0.110 0.000 1.045 113 E CA 0.848 57.210 56.400 -0.062 0.000 0.872 113 E CB -0.282 29.382 29.700 -0.061 0.000 0.792 113 E HN 0.159 nan 8.360 nan 0.000 0.542 114 T N 0.471 114.940 114.554 -0.142 0.000 2.671 114 T HA -0.003 4.347 4.350 0.001 0.000 0.250 114 T C 1.116 175.748 174.700 -0.113 0.000 1.068 114 T CA 0.862 62.838 62.100 -0.206 0.000 1.177 114 T CB -0.392 68.348 68.868 -0.213 0.000 0.876 114 T HN 0.262 nan 8.240 nan 0.000 0.405 115 A N 1.808 124.589 122.820 -0.064 0.000 2.888 115 A HA 0.181 4.501 4.320 0.001 0.000 0.290 115 A C 0.885 178.433 177.584 -0.061 0.000 1.736 115 A CA 0.817 52.814 52.037 -0.067 0.000 1.244 115 A CB -0.874 18.114 19.000 -0.019 0.000 0.973 115 A HN 0.638 nan 8.150 nan 0.000 0.595 116 K N 0.192 120.548 120.400 -0.073 0.000 1.372 116 K HA -0.018 4.302 4.320 0.001 0.000 0.094 116 K C -0.137 176.436 176.600 -0.046 0.000 2.226 116 K CA 0.512 56.770 56.287 -0.049 0.000 0.933 116 K CB -0.371 32.110 32.500 -0.030 0.000 2.473 116 K HN 0.537 nan 8.250 nan 0.000 0.332 117 I N -0.539 119.996 120.570 -0.059 0.000 4.738 117 I HA 0.185 4.355 4.170 0.001 0.000 0.315 117 I C 0.045 176.142 176.117 -0.034 0.000 1.214 117 I CA -0.153 61.117 61.300 -0.050 0.000 1.337 117 I CB 0.670 38.633 38.000 -0.061 0.000 1.433 117 I HN -0.125 nan 8.210 nan 0.000 0.472 118 R N 0.278 120.762 120.500 -0.027 0.000 2.797 118 R HA 0.274 4.614 4.340 0.001 0.000 0.230 118 R C -2.313 173.992 176.300 0.008 0.000 1.591 118 R CA -1.087 55.038 56.100 0.040 0.000 1.501 118 R CB 0.445 30.854 30.300 0.181 0.000 1.524 118 R HN -0.038 nan 8.270 nan 0.000 0.711 119 P HA -0.256 nan 4.420 nan 0.000 0.224 119 P C 0.097 177.255 177.300 -0.236 0.000 1.130 119 P CA 1.964 64.811 63.100 -0.422 0.000 0.976 119 P CB 0.054 31.163 31.700 -0.986 0.000 0.781 120 F N -3.589 116.505 119.950 0.241 0.000 2.631 120 F HA 0.845 5.373 4.527 0.001 0.000 0.328 120 F C -0.284 175.494 175.800 -0.038 0.000 1.067 120 F CA -2.482 55.640 58.000 0.203 0.000 0.969 120 F CB 0.560 39.844 39.000 0.474 0.000 1.332 120 F HN -0.059 nan 8.300 nan 0.000 0.490 121 A N 0.312 123.119 122.820 -0.022 0.000 2.609 121 A HA 0.849 5.169 4.320 0.001 0.000 0.291 121 A C -1.927 175.348 177.584 -0.515 0.000 1.096 121 A CA -0.682 51.143 52.037 -0.354 0.000 0.684 121 A CB 1.772 20.350 19.000 -0.703 0.000 1.282 121 A HN 1.621 nan 8.150 nan 0.000 0.412 122 V N -0.633 118.922 119.914 -0.597 0.000 3.087 122 V HA 0.951 5.071 4.120 0.001 0.000 0.306 122 V C -0.526 175.213 176.094 -0.591 0.000 1.187 122 V CA 0.388 62.213 62.300 -0.791 0.000 0.999 122 V CB 1.834 32.945 31.823 -1.186 0.000 1.049 122 V HN 2.571 nan 8.190 nan 0.000 0.431 123 A N 3.388 125.902 122.820 -0.510 0.000 2.533 123 A HA 1.145 5.465 4.320 0.001 0.000 0.293 123 A C -0.497 176.922 177.584 -0.275 0.000 1.228 123 A CA -0.199 51.561 52.037 -0.461 0.000 0.689 123 A CB 1.511 20.140 19.000 -0.619 0.000 1.303 123 A HN 2.698 nan 8.150 nan 0.000 0.444 124 A N -1.581 121.024 122.820 -0.359 0.000 2.522 124 A HA 0.670 4.991 4.320 0.001 0.000 0.294 124 A C -1.042 176.450 177.584 -0.153 0.000 1.001 124 A CA 0.153 52.114 52.037 -0.127 0.000 0.642 124 A CB -0.078 18.914 19.000 -0.013 0.000 1.326 124 A HN 2.355 nan 8.150 nan 0.000 0.435 125 V N -1.201 118.726 119.914 0.021 0.000 3.001 125 V HA 0.928 5.048 4.120 0.001 0.000 0.314 125 V C -0.501 175.652 176.094 0.098 0.000 1.099 125 V CA -0.799 61.547 62.300 0.077 0.000 0.989 125 V CB 1.651 33.586 31.823 0.187 0.000 1.040 125 V HN 1.634 nan 8.190 nan 0.000 0.434 126 L N 0.191 121.480 121.223 0.110 0.000 2.372 126 L HA 0.720 5.060 4.340 0.001 0.000 0.274 126 L C -0.129 176.813 176.870 0.119 0.000 0.988 126 L CA -0.779 54.134 54.840 0.121 0.000 0.833 126 L CB 1.753 43.897 42.059 0.141 0.000 1.236 126 L HN 0.583 nan 8.230 nan 0.000 0.410 127 R N 3.258 123.824 120.500 0.110 0.000 2.442 127 R HA 0.152 4.493 4.340 0.001 0.000 0.291 127 R C -0.156 176.200 176.300 0.093 0.000 1.069 127 R CA -0.024 56.135 56.100 0.099 0.000 1.022 127 R CB 0.469 30.822 30.300 0.089 0.000 0.976 127 R HN 0.834 nan 8.270 nan 0.000 0.443 128 N N 2.162 120.915 118.700 0.089 0.000 2.614 128 N HA -0.230 4.510 4.740 0.001 0.000 0.276 128 N C -0.470 175.102 175.510 0.103 0.000 1.119 128 N CA 0.798 53.899 53.050 0.085 0.000 0.742 128 N CB -0.960 37.566 38.487 0.066 0.000 0.900 128 N HN 0.513 nan 8.380 nan 0.000 0.549 129 I N 0.786 121.443 120.570 0.145 0.000 2.395 129 I HA 0.095 4.266 4.170 0.001 0.000 0.289 129 I C 1.038 177.261 176.117 0.177 0.000 1.023 129 I CA -0.412 60.993 61.300 0.175 0.000 1.350 129 I CB 0.896 39.055 38.000 0.264 0.000 1.409 129 I HN -0.159 nan 8.210 nan 0.000 0.507 130 K N 6.863 127.309 120.400 0.076 0.000 2.150 130 K HA 0.299 4.619 4.320 0.001 0.000 0.261 130 K C -0.391 176.172 176.600 -0.061 0.000 1.127 130 K CA -0.181 56.122 56.287 0.025 0.000 0.989 130 K CB -0.033 32.453 32.500 -0.023 0.000 1.475 130 K HN 0.307 nan 8.250 nan 0.000 0.391 131 F N 0.285 120.191 119.950 -0.072 0.000 2.408 131 F HA 0.129 4.657 4.527 0.001 0.000 0.303 131 F C 1.394 177.141 175.800 -0.089 0.000 1.268 131 F CA 0.684 58.639 58.000 -0.074 0.000 1.218 131 F CB 0.772 39.757 39.000 -0.024 0.000 1.283 131 F HN 0.181 nan 8.300 nan 0.000 0.545 132 T N -0.310 114.354 114.554 0.184 0.000 2.802 132 T HA 0.214 4.564 4.350 0.001 0.000 0.311 132 T C 0.298 175.100 174.700 0.171 0.000 1.405 132 T CA -0.899 61.252 62.100 0.085 0.000 1.016 132 T CB 1.776 70.618 68.868 -0.043 0.000 1.352 132 T HN 0.337 nan 8.240 nan 0.000 0.498 133 K N 1.082 121.542 120.400 0.100 0.000 2.032 133 K HA -0.158 4.163 4.320 0.001 0.000 0.218 133 K C 1.475 178.190 176.600 0.192 0.000 1.054 133 K CA 2.235 58.592 56.287 0.117 0.000 0.941 133 K CB -0.252 32.285 32.500 0.062 0.000 0.720 133 K HN 0.486 nan 8.250 nan 0.000 0.449 134 D N 0.296 120.780 120.400 0.139 0.000 2.085 134 D HA -0.069 4.572 4.640 0.001 0.000 0.199 134 D C 2.076 178.504 176.300 0.213 0.000 0.981 134 D CA 0.910 55.000 54.000 0.149 0.000 0.834 134 D CB -0.273 40.580 40.800 0.088 0.000 0.992 134 D HN 0.161 nan 8.370 nan 0.000 0.457 135 R N -0.035 120.560 120.500 0.159 0.000 2.153 135 R HA -0.226 4.114 4.340 0.001 0.000 0.252 135 R C 2.373 178.902 176.300 0.381 0.000 1.158 135 R CA 1.302 57.513 56.100 0.185 0.000 0.975 135 R CB -0.590 29.574 30.300 -0.228 0.000 0.871 135 R HN 0.313 nan 8.270 nan 0.000 0.450 136 Y N 2.161 122.689 120.300 0.381 0.000 2.070 136 Y HA -0.230 4.320 4.550 0.000 0.000 0.279 136 Y C 1.988 178.115 175.900 0.378 0.000 1.134 136 Y CA 1.702 60.141 58.100 0.564 0.000 1.113 136 Y CB -0.410 38.253 38.460 0.339 0.000 0.981 136 Y HN -0.002 nan 8.280 nan 0.000 0.487 137 D N -0.657 119.899 120.400 0.260 0.000 2.172 137 D HA -0.237 4.403 4.640 0.001 0.000 0.196 137 D C 2.334 178.699 176.300 0.107 0.000 0.999 137 D CA 1.742 55.806 54.000 0.108 0.000 0.856 137 D CB -0.454 40.450 40.800 0.173 0.000 0.934 137 D HN 0.393 nan 8.370 nan 0.000 0.453 138 S N -0.305 115.533 115.700 0.230 0.000 2.356 138 S HA -0.171 4.300 4.470 0.001 0.000 0.223 138 S C 1.833 176.628 174.600 0.326 0.000 1.032 138 S CA 0.595 58.979 58.200 0.306 0.000 1.005 138 S CB -0.428 63.029 63.200 0.427 0.000 0.867 138 S HN 0.233 nan 8.310 nan 0.000 0.449 139 F N 1.744 121.730 119.950 0.060 0.000 2.171 139 F HA -0.033 4.494 4.527 0.000 0.000 0.300 139 F C 1.839 177.449 175.800 -0.317 0.000 1.090 139 F CA 1.291 58.969 58.000 -0.537 0.000 1.293 139 F CB -0.120 38.485 39.000 -0.657 0.000 1.013 139 F HN 0.228 nan 8.300 nan 0.000 0.486 140 I N 0.065 120.553 120.570 -0.137 0.000 2.333 140 I HA -0.172 3.998 4.170 0.001 0.000 0.246 140 I C 2.296 178.335 176.117 -0.130 0.000 1.106 140 I CA 1.127 62.311 61.300 -0.194 0.000 1.411 140 I CB -1.308 36.537 38.000 -0.258 0.000 1.082 140 I HN 0.157 nan 8.210 nan 0.000 0.420 141 E N 1.701 121.868 120.200 -0.054 0.000 2.023 141 E HA -0.243 4.107 4.350 0.001 0.000 0.196 141 E C 2.315 178.901 176.600 -0.024 0.000 1.003 141 E CA 1.425 57.823 56.400 -0.004 0.000 0.809 141 E CB -0.622 29.108 29.700 0.050 0.000 0.755 141 E HN 0.396 nan 8.360 nan 0.000 0.449 142 L N 0.252 121.456 121.223 -0.031 0.000 2.051 142 L HA -0.337 4.004 4.340 0.001 0.000 0.214 142 L C 2.589 179.370 176.870 -0.149 0.000 1.076 142 L CA 2.072 56.881 54.840 -0.051 0.000 0.758 142 L CB -0.317 41.742 42.059 0.000 0.000 0.890 142 L HN 0.337 nan 8.230 nan 0.000 0.433 143 Q N -0.586 119.061 119.800 -0.254 0.000 2.061 143 Q HA -0.261 4.080 4.340 0.001 0.000 0.204 143 Q C 2.176 178.116 176.000 -0.100 0.000 0.984 143 Q CA 2.047 57.681 55.803 -0.282 0.000 0.846 143 Q CB 0.017 28.577 28.738 -0.296 0.000 0.902 143 Q HN 0.495 nan 8.270 nan 0.000 0.421 144 E N 0.274 120.478 120.200 0.007 0.000 2.047 144 E HA -0.179 4.171 4.350 0.001 0.000 0.191 144 E C 1.901 178.558 176.600 0.095 0.000 0.987 144 E CA 0.940 57.408 56.400 0.112 0.000 0.799 144 E CB -0.046 29.705 29.700 0.084 0.000 0.752 144 E HN 0.111 nan 8.360 nan 0.000 0.449 145 K N 0.918 121.339 120.400 0.034 0.000 2.015 145 K HA -0.188 4.132 4.320 0.001 0.000 0.216 145 K C 1.972 178.587 176.600 0.025 0.000 1.052 145 K CA 1.550 57.857 56.287 0.034 0.000 0.937 145 K CB -0.403 32.112 32.500 0.025 0.000 0.719 145 K HN 0.101 nan 8.250 nan 0.000 0.446 146 L N -0.963 120.238 121.223 -0.037 0.000 2.627 146 L HA 0.170 4.510 4.340 0.001 0.000 0.233 146 L C 1.642 178.463 176.870 -0.081 0.000 1.144 146 L CA 1.036 55.829 54.840 -0.079 0.000 0.892 146 L CB -0.706 41.255 42.059 -0.163 0.000 1.039 146 L HN 0.145 nan 8.230 nan 0.000 0.442 147 H N 1.807 120.854 119.070 -0.038 0.000 2.298 147 H HA 0.090 4.646 4.556 0.001 0.000 0.318 147 H C 0.924 176.277 175.328 0.042 0.000 1.064 147 H CA 1.745 57.786 56.048 -0.012 0.000 1.415 147 H CB -0.197 29.563 29.762 -0.004 0.000 1.453 147 H HN 0.526 nan 8.280 nan 0.000 0.546 148 Q N 1.378 121.330 119.800 0.255 0.000 2.336 148 Q HA 0.095 4.435 4.340 0.001 0.000 0.231 148 Q C 0.220 176.268 176.000 0.081 0.000 0.900 148 Q CA 0.305 56.201 55.803 0.156 0.000 0.966 148 Q CB -0.355 28.480 28.738 0.161 0.000 1.219 148 Q HN 0.437 nan 8.270 nan 0.000 0.412 149 N N -0.866 117.876 118.700 0.070 0.000 3.085 149 N HA 0.062 4.803 4.740 0.001 0.000 0.270 149 N C 0.755 176.286 175.510 0.034 0.000 1.319 149 N CA 0.302 53.380 53.050 0.046 0.000 1.379 149 N CB -0.143 38.376 38.487 0.053 0.000 0.903 149 N HN 0.233 nan 8.380 nan 0.000 1.080 150 I N 1.276 121.851 120.570 0.008 0.000 2.830 150 I HA 0.076 4.247 4.170 0.001 0.000 0.263 150 I C 0.972 177.050 176.117 -0.065 0.000 1.230 150 I CA 1.258 62.531 61.300 -0.045 0.000 1.480 150 I CB -0.056 37.801 38.000 -0.237 0.000 1.095 150 I HN 0.339 nan 8.210 nan 0.000 0.455 151 C N 1.176 120.459 119.300 -0.029 0.000 2.791 151 C HA 0.374 4.834 4.460 0.001 0.000 0.270 151 C C 1.023 176.037 174.990 0.040 0.000 1.257 151 C CA -0.342 58.677 59.018 0.003 0.000 1.699 151 C CB -1.668 26.103 27.740 0.052 0.000 1.904 151 C HN 0.539 nan 8.230 nan 0.000 0.603 152 R N 0.649 121.170 120.500 0.034 0.000 3.084 152 R HA -0.175 4.166 4.340 0.001 0.000 0.258 152 R C -0.167 176.150 176.300 0.028 0.000 0.914 152 R CA 0.150 56.263 56.100 0.022 0.000 0.646 152 R CB -1.412 28.896 30.300 0.014 0.000 1.330 152 R HN 0.445 nan 8.270 nan 0.000 0.465 153 K N 0.576 121.006 120.400 0.050 0.000 3.278 153 K HA -0.293 4.028 4.320 0.001 0.000 0.270 153 K C 0.514 177.225 176.600 0.184 0.000 0.955 153 K CA 1.526 57.852 56.287 0.065 0.000 0.723 153 K CB -0.924 31.445 32.500 -0.219 0.000 1.382 153 K HN 0.736 nan 8.250 nan 0.000 0.461 154 R N -3.871 116.762 120.500 0.221 0.000 3.995 154 R HA -0.387 3.954 4.340 0.001 0.000 0.445 154 R C 1.576 177.946 176.300 0.117 0.000 0.997 154 R CA 1.360 57.574 56.100 0.189 0.000 1.513 154 R CB -2.229 28.147 30.300 0.127 0.000 2.145 154 R HN 0.517 nan 8.270 nan 0.000 0.533 155 A N 1.035 123.907 122.820 0.087 0.000 1.896 155 A HA -0.216 4.104 4.320 0.001 0.000 0.220 155 A C 2.012 179.629 177.584 0.056 0.000 1.206 155 A CA 2.354 54.424 52.037 0.055 0.000 0.647 155 A CB -0.318 18.700 19.000 0.030 0.000 0.828 155 A HN 0.210 nan 8.150 nan 0.000 0.455 156 L N -1.896 119.360 121.223 0.056 0.000 2.130 156 L HA 0.161 4.502 4.340 0.001 0.000 0.200 156 L C 0.460 177.365 176.870 0.058 0.000 1.075 156 L CA 0.805 55.682 54.840 0.062 0.000 0.768 156 L CB -0.392 41.697 42.059 0.050 0.000 0.933 156 L HN 0.145 nan 8.230 nan 0.000 0.451 157 V N -0.610 119.325 119.914 0.034 0.000 2.680 157 V HA 0.825 4.945 4.120 0.001 0.000 0.309 157 V C -0.570 175.554 176.094 0.050 0.000 1.052 157 V CA -0.796 61.504 62.300 -0.000 0.000 0.908 157 V CB 1.628 33.405 31.823 -0.078 0.000 1.001 157 V HN 0.123 nan 8.190 nan 0.000 0.431 158 A N 5.510 128.348 122.820 0.031 0.000 2.359 158 A HA 0.888 5.208 4.320 0.001 0.000 0.303 158 A C -0.773 176.821 177.584 0.017 0.000 1.066 158 A CA -0.548 51.578 52.037 0.149 0.000 0.730 158 A CB 1.131 20.173 19.000 0.071 0.000 1.211 158 A HN 0.947 nan 8.150 nan 0.000 0.439 159 I N 0.251 120.831 120.570 0.016 0.000 2.412 159 I HA 0.887 5.058 4.170 0.001 0.000 0.296 159 I C 0.168 176.223 176.117 -0.104 0.000 0.987 159 I CA -0.796 60.397 61.300 -0.178 0.000 1.180 159 I CB 2.191 39.962 38.000 -0.382 0.000 1.340 159 I HN 0.581 nan 8.210 nan 0.000 0.455 160 G N 3.454 112.136 108.800 -0.197 0.000 2.683 160 G HA2 0.589 4.549 3.960 0.001 0.000 0.299 160 G HA3 0.589 4.549 3.960 0.001 0.000 0.299 160 G C -0.639 173.965 174.900 -0.494 0.000 1.432 160 G CA -0.559 44.372 45.100 -0.280 0.000 0.978 160 G HN 0.793 nan 8.290 nan 0.000 0.513 161 T N 0.012 114.299 114.554 -0.446 0.000 2.771 161 T HA 0.655 5.005 4.350 0.001 0.000 0.281 161 T C -0.576 173.883 174.700 -0.402 0.000 0.982 161 T CA -0.850 61.067 62.100 -0.305 0.000 0.978 161 T CB 1.653 70.555 68.868 0.055 0.000 0.930 161 T HN 0.515 nan 8.240 nan 0.000 0.447 162 H N 1.318 120.453 119.070 0.108 0.000 2.679 162 H HA 0.405 4.962 4.556 0.000 0.000 0.367 162 H C -0.916 174.460 175.328 0.081 0.000 1.162 162 H CA -0.974 55.144 56.048 0.116 0.000 1.181 162 H CB 1.991 31.870 29.762 0.196 0.000 1.693 162 H HN 0.653 nan 8.280 nan 0.000 0.538 163 D N 2.621 123.117 120.400 0.160 0.000 2.483 163 D HA -0.013 4.627 4.640 0.001 0.000 0.220 163 D C 1.115 177.457 176.300 0.071 0.000 1.173 163 D CA -0.362 53.672 54.000 0.058 0.000 0.964 163 D CB 0.254 41.047 40.800 -0.012 0.000 1.046 163 D HN 0.325 nan 8.370 nan 0.000 0.517 164 L N 3.291 124.587 121.223 0.121 0.000 2.357 164 L HA -0.164 4.177 4.340 0.001 0.000 0.220 164 L C 1.228 178.140 176.870 0.071 0.000 1.123 164 L CA 1.634 56.548 54.840 0.124 0.000 0.782 164 L CB -0.062 42.095 42.059 0.163 0.000 0.910 164 L HN 0.321 nan 8.230 nan 0.000 0.442 165 D N -1.396 119.026 120.400 0.037 0.000 2.363 165 D HA -0.028 4.612 4.640 0.001 0.000 0.220 165 D C 1.239 177.536 176.300 -0.004 0.000 0.994 165 D CA 1.226 55.238 54.000 0.020 0.000 0.890 165 D CB 0.046 40.854 40.800 0.013 0.000 0.906 165 D HN 0.513 nan 8.370 nan 0.000 0.530 166 T N -0.912 113.613 114.554 -0.048 0.000 3.268 166 T HA 0.471 4.822 4.350 0.001 0.000 0.258 166 T C 0.059 174.652 174.700 -0.177 0.000 0.966 166 T CA -0.615 61.398 62.100 -0.144 0.000 0.952 166 T CB -0.692 67.984 68.868 -0.319 0.000 1.132 166 T HN -0.003 nan 8.240 nan 0.000 0.536 167 L N -3.224 117.987 121.223 -0.019 0.000 3.085 167 L HA 0.772 5.113 4.340 0.001 0.000 0.242 167 L C -0.840 176.004 176.870 -0.044 0.000 0.985 167 L CA -0.917 53.929 54.840 0.010 0.000 1.052 167 L CB 0.287 42.356 42.059 0.017 0.000 1.495 167 L HN 0.288 nan 8.230 nan 0.000 0.409 168 S N -1.591 114.012 115.700 -0.163 0.000 2.672 168 S HA 0.971 5.441 4.470 0.001 0.000 0.271 168 S C 0.063 174.421 174.600 -0.404 0.000 1.171 168 S CA -0.056 58.011 58.200 -0.222 0.000 0.817 168 S CB 0.850 63.993 63.200 -0.096 0.000 1.150 168 S HN 2.833 nan 8.310 nan 0.000 0.478 169 G N 0.749 109.361 108.800 -0.313 0.000 2.750 169 G HA2 0.034 3.994 3.960 0.001 0.000 0.686 169 G HA3 0.034 3.994 3.960 0.001 0.000 0.686 169 G C -3.096 171.505 174.900 -0.497 0.000 1.395 169 G CA -0.574 44.347 45.100 -0.298 0.000 0.918 169 G HN 0.756 nan 8.290 nan 0.000 0.594 170 P HA 0.147 nan 4.420 nan 0.000 0.261 170 P C 0.130 177.285 177.300 -0.241 0.000 1.158 170 P CA 0.633 63.655 63.100 -0.129 0.000 0.758 170 P CB 0.052 31.741 31.700 -0.018 0.000 0.763 171 F N 1.213 121.142 119.950 -0.036 0.000 2.377 171 F HA 0.473 5.000 4.527 0.000 0.000 0.328 171 F C 1.193 177.030 175.800 0.061 0.000 1.094 171 F CA -0.049 57.941 58.000 -0.016 0.000 1.093 171 F CB 0.718 39.665 39.000 -0.088 0.000 1.214 171 F HN 0.056 nan 8.300 nan 0.000 0.518 172 T N 1.181 115.904 114.554 0.282 0.000 2.861 172 T HA 0.290 4.641 4.350 0.001 0.000 0.287 172 T C -1.880 172.959 174.700 0.232 0.000 1.003 172 T CA -0.487 61.749 62.100 0.226 0.000 0.977 172 T CB 0.957 69.945 68.868 0.198 0.000 0.996 172 T HN 0.381 nan 8.240 nan 0.000 0.448 173 Y N 2.502 122.828 120.300 0.043 0.000 2.328 173 Y HA 0.675 5.225 4.550 0.001 0.000 0.337 173 Y C 0.108 175.997 175.900 -0.019 0.000 0.966 173 Y CA -0.377 57.716 58.100 -0.012 0.000 1.136 173 Y CB 1.330 39.774 38.460 -0.027 0.000 1.170 173 Y HN 0.760 nan 8.280 nan 0.000 0.470 174 T N 3.429 117.736 114.554 -0.412 0.000 2.653 174 T HA 0.848 5.198 4.350 0.001 0.000 0.306 174 T C -2.059 172.432 174.700 -0.349 0.000 1.426 174 T CA -0.114 61.760 62.100 -0.377 0.000 1.008 174 T CB 0.778 69.570 68.868 -0.128 0.000 1.692 174 T HN 0.942 nan 8.240 nan 0.000 0.483 175 A N 1.698 124.397 122.820 -0.201 0.000 2.381 175 A HA 0.817 5.137 4.320 0.001 0.000 0.299 175 A C -0.921 176.641 177.584 -0.036 0.000 1.049 175 A CA -0.675 51.295 52.037 -0.111 0.000 0.715 175 A CB 1.263 20.202 19.000 -0.101 0.000 1.222 175 A HN 0.738 nan 8.150 nan 0.000 0.428 176 K N 0.792 121.188 120.400 -0.006 0.000 2.346 176 K HA 0.536 4.856 4.320 0.001 0.000 0.238 176 K C -0.084 176.511 176.600 -0.008 0.000 1.039 176 K CA -1.047 55.242 56.287 0.003 0.000 0.861 176 K CB 1.993 34.504 32.500 0.019 0.000 1.278 176 K HN 0.742 nan 8.250 nan 0.000 0.460 177 R N 1.941 122.422 120.500 -0.032 0.000 2.698 177 R HA -0.008 4.332 4.340 0.001 0.000 0.266 177 R C -1.556 174.628 176.300 -0.192 0.000 1.026 177 R CA -0.912 55.141 56.100 -0.079 0.000 1.102 177 R CB 0.325 30.589 30.300 -0.060 0.000 0.978 177 R HN 0.350 nan 8.270 nan 0.000 0.436 178 P HA -0.177 nan 4.420 nan 0.000 0.212 178 P C 0.206 177.329 177.300 -0.295 0.000 1.178 178 P CA 1.531 64.245 63.100 -0.644 0.000 0.915 178 P CB -0.211 31.007 31.700 -0.804 0.000 0.788 179 S N -0.359 115.227 115.700 -0.191 0.000 4.085 179 S HA 0.118 4.588 4.470 0.001 0.000 0.189 179 S C 0.470 175.029 174.600 -0.069 0.000 1.392 179 S CA -0.248 57.892 58.200 -0.101 0.000 0.972 179 S CB -1.018 62.138 63.200 -0.072 0.000 1.482 179 S HN 0.159 nan 8.310 nan 0.000 0.446 180 D N 1.279 121.641 120.400 -0.063 0.000 2.848 180 D HA 0.139 4.779 4.640 0.001 0.000 0.303 180 D C -0.543 175.759 176.300 0.003 0.000 1.665 180 D CA -0.071 53.912 54.000 -0.028 0.000 0.807 180 D CB 0.512 41.294 40.800 -0.030 0.000 1.288 180 D HN 0.710 nan 8.370 nan 0.000 0.441 181 I N -1.306 119.268 120.570 0.008 0.000 2.637 181 I HA 0.445 4.615 4.170 0.001 0.000 0.285 181 I C -0.963 175.200 176.117 0.077 0.000 1.222 181 I CA -0.961 60.366 61.300 0.044 0.000 1.067 181 I CB 1.341 39.348 38.000 0.013 0.000 1.279 181 I HN -0.399 nan 8.210 nan 0.000 0.441 182 K N 5.019 125.473 120.400 0.090 0.000 2.202 182 K HA 0.687 5.007 4.320 0.001 0.000 0.264 182 K C -1.175 175.578 176.600 0.255 0.000 1.010 182 K CA 0.003 56.370 56.287 0.134 0.000 0.940 182 K CB 1.182 33.730 32.500 0.080 0.000 0.983 182 K HN 0.635 nan 8.250 nan 0.000 0.475 183 F N 0.098 120.102 119.950 0.089 0.000 2.703 183 F HA 0.261 4.788 4.527 0.000 0.000 0.308 183 F C -0.995 174.885 175.800 0.133 0.000 1.126 183 F CA -1.006 57.062 58.000 0.112 0.000 0.959 183 F CB 1.516 40.589 39.000 0.121 0.000 1.297 183 F HN 0.144 nan 8.300 nan 0.000 0.441 184 K N 6.044 126.578 120.400 0.224 0.000 2.606 184 K HA 0.322 4.643 4.320 0.001 0.000 0.196 184 K C -2.774 173.625 176.600 -0.336 0.000 1.048 184 K CA -2.111 54.170 56.287 -0.010 0.000 1.017 184 K CB 1.053 33.610 32.500 0.094 0.000 1.413 184 K HN 0.237 nan 8.250 nan 0.000 0.568 185 P HA -0.083 nan 4.420 nan 0.000 0.268 185 P C 1.410 178.589 177.300 -0.202 0.000 1.208 185 P CA -0.519 62.250 63.100 -0.552 0.000 0.777 185 P CB 0.846 32.319 31.700 -0.379 0.000 0.875 186 L N 2.513 123.653 121.223 -0.138 0.000 2.156 186 L HA -0.246 4.095 4.340 0.001 0.000 0.248 186 L C 1.256 178.116 176.870 -0.017 0.000 1.108 186 L CA 2.098 56.911 54.840 -0.044 0.000 0.842 186 L CB -2.304 39.735 42.059 -0.034 0.000 0.950 186 L HN 0.564 nan 8.230 nan 0.000 0.441 187 N N 0.049 118.744 118.700 -0.008 0.000 3.209 187 N HA 0.113 4.854 4.740 0.001 0.000 0.309 187 N C -0.724 174.796 175.510 0.017 0.000 1.384 187 N CA -0.103 52.955 53.050 0.012 0.000 1.173 187 N CB 0.224 38.723 38.487 0.020 0.000 1.460 187 N HN 0.181 nan 8.380 nan 0.000 0.534 188 K N -0.287 120.121 120.400 0.014 0.000 2.443 188 K HA 0.178 4.498 4.320 0.001 0.000 0.252 188 K C 0.874 177.536 176.600 0.103 0.000 0.933 188 K CA -0.627 55.679 56.287 0.032 0.000 0.792 188 K CB 1.678 34.153 32.500 -0.041 0.000 1.185 188 K HN -0.113 nan 8.250 nan 0.000 0.425 189 T N 1.502 116.134 114.554 0.131 0.000 2.555 189 T HA -0.154 4.196 4.350 0.001 0.000 0.264 189 T C 0.797 175.565 174.700 0.115 0.000 1.083 189 T CA 1.839 64.008 62.100 0.115 0.000 1.179 189 T CB 0.078 69.010 68.868 0.106 0.000 0.863 189 T HN 0.484 nan 8.240 nan 0.000 0.412 190 K N 0.419 120.913 120.400 0.156 0.000 2.958 190 K HA 0.368 4.688 4.320 0.001 0.000 0.304 190 K C 0.156 176.750 176.600 -0.009 0.000 0.995 190 K CA -0.339 55.920 56.287 -0.046 0.000 1.492 190 K CB 0.111 32.390 32.500 -0.369 0.000 1.842 190 K HN 0.392 nan 8.250 nan 0.000 0.725 191 E N 0.513 120.567 120.200 -0.243 0.000 2.302 191 E HA 0.203 4.553 4.350 0.001 0.000 0.263 191 E C -1.630 174.861 176.600 -0.183 0.000 0.897 191 E CA -0.363 56.010 56.400 -0.046 0.000 0.809 191 E CB 0.623 30.313 29.700 -0.016 0.000 1.270 191 E HN 0.290 nan 8.360 nan 0.000 0.410 192 Y N 0.895 121.205 120.300 0.016 0.000 2.654 192 Y HA 0.530 5.080 4.550 0.000 0.000 0.328 192 Y C 0.795 176.729 175.900 0.057 0.000 1.174 192 Y CA -0.949 57.156 58.100 0.007 0.000 1.293 192 Y CB 1.037 39.464 38.460 -0.054 0.000 1.464 192 Y HN 0.283 nan 8.280 nan 0.000 0.559 193 T N -0.228 114.450 114.554 0.206 0.000 2.952 193 T HA 0.502 4.852 4.350 0.001 0.000 0.286 193 T C 1.002 175.762 174.700 0.101 0.000 1.024 193 T CA -0.084 62.088 62.100 0.120 0.000 1.029 193 T CB 1.571 70.465 68.868 0.045 0.000 1.094 193 T HN 0.766 nan 8.240 nan 0.000 0.515 194 A N 0.316 123.168 122.820 0.053 0.000 1.845 194 A HA -0.101 4.219 4.320 0.001 0.000 0.215 194 A C 2.492 180.038 177.584 -0.064 0.000 1.195 194 A CA 1.704 53.754 52.037 0.022 0.000 0.616 194 A CB -1.325 17.619 19.000 -0.093 0.000 0.832 194 A HN 0.922 nan 8.150 nan 0.000 0.443 195 C N -0.161 119.049 119.300 -0.149 0.000 2.409 195 C HA -0.091 4.369 4.460 0.001 0.000 0.288 195 C C 2.458 177.419 174.990 -0.049 0.000 1.395 195 C CA 1.528 60.465 59.018 -0.134 0.000 1.792 195 C CB -1.416 26.249 27.740 -0.126 0.000 1.847 195 C HN 0.754 nan 8.230 nan 0.000 0.534 196 E N -0.652 119.537 120.200 -0.018 0.000 2.166 196 E HA -0.000 4.350 4.350 0.001 0.000 0.192 196 E C 2.160 178.715 176.600 -0.076 0.000 0.967 196 E CA 0.330 56.730 56.400 -0.001 0.000 0.840 196 E CB -0.138 29.608 29.700 0.076 0.000 0.795 196 E HN 0.657 nan 8.360 nan 0.000 0.470 197 L N 0.606 121.757 121.223 -0.120 0.000 2.027 197 L HA -0.189 4.152 4.340 0.001 0.000 0.206 197 L C 2.654 179.353 176.870 -0.285 0.000 1.074 197 L CA 0.760 55.366 54.840 -0.389 0.000 0.745 197 L CB -0.403 41.480 42.059 -0.294 0.000 0.898 197 L HN 0.303 nan 8.230 nan 0.000 0.433 198 M N 0.603 120.197 119.600 -0.009 0.000 2.147 198 M HA -0.287 4.193 4.480 0.001 0.000 0.253 198 M C 2.015 178.346 176.300 0.052 0.000 1.075 198 M CA 2.203 57.554 55.300 0.086 0.000 1.085 198 M CB -1.545 31.106 32.600 0.085 0.000 1.305 198 M HN 0.544 nan 8.290 nan 0.000 0.409 199 N N 1.051 119.751 118.700 0.000 0.000 2.415 199 N HA -0.067 4.673 4.740 0.001 0.000 0.176 199 N C 1.461 176.959 175.510 -0.020 0.000 1.042 199 N CA 1.158 54.218 53.050 0.017 0.000 0.902 199 N CB -0.778 37.721 38.487 0.020 0.000 0.986 199 N HN 0.584 nan 8.380 nan 0.000 0.447 200 I N -2.944 117.549 120.570 -0.128 0.000 3.291 200 I HA 0.047 4.217 4.170 0.001 0.000 0.279 200 I C 1.355 177.396 176.117 -0.127 0.000 1.294 200 I CA 0.482 61.671 61.300 -0.186 0.000 1.428 200 I CB -0.567 37.217 38.000 -0.361 0.000 1.070 200 I HN -0.059 nan 8.210 nan 0.000 0.478 201 Y N 0.940 121.211 120.300 -0.049 0.000 2.509 201 Y HA 0.232 4.783 4.550 0.000 0.000 0.270 201 Y C 1.971 177.857 175.900 -0.023 0.000 1.103 201 Y CA -0.379 57.695 58.100 -0.044 0.000 1.278 201 Y CB 0.155 38.590 38.460 -0.042 0.000 1.087 201 Y HN 0.047 nan 8.280 nan 0.000 0.542 202 K N 0.091 120.580 120.400 0.148 0.000 2.520 202 K HA -0.141 4.179 4.320 0.001 0.000 0.197 202 K C 1.534 178.167 176.600 0.054 0.000 1.044 202 K CA 1.706 58.049 56.287 0.093 0.000 0.938 202 K CB -0.263 32.291 32.500 0.090 0.000 0.767 202 K HN 0.347 nan 8.250 nan 0.000 0.481 203 T N -2.946 111.647 114.554 0.065 0.000 3.010 203 T HA 0.011 4.362 4.350 0.001 0.000 0.257 203 T C 0.423 175.151 174.700 0.046 0.000 1.020 203 T CA -0.433 61.692 62.100 0.042 0.000 0.938 203 T CB 0.216 69.105 68.868 0.036 0.000 1.049 203 T HN -0.095 nan 8.240 nan 0.000 0.522 204 D N 2.541 122.986 120.400 0.075 0.000 2.359 204 D HA 0.131 4.771 4.640 0.001 0.000 0.250 204 D C 0.674 176.987 176.300 0.023 0.000 1.264 204 D CA -0.110 53.928 54.000 0.064 0.000 0.911 204 D CB 0.435 41.279 40.800 0.074 0.000 1.056 204 D HN 0.112 nan 8.370 nan 0.000 0.499 205 N N 2.553 121.274 118.700 0.035 0.000 2.133 205 N HA -0.265 4.475 4.740 0.001 0.000 0.193 205 N C 1.424 176.994 175.510 0.100 0.000 1.012 205 N CA 1.202 54.273 53.050 0.036 0.000 0.871 205 N CB -0.283 38.234 38.487 0.050 0.000 1.011 205 N HN 0.699 nan 8.380 nan 0.000 0.435 206 H N -0.103 118.978 119.070 0.018 0.000 2.276 206 H HA 0.068 4.624 4.556 0.000 0.000 0.307 206 H C 1.553 176.974 175.328 0.154 0.000 1.061 206 H CA 0.644 56.746 56.048 0.090 0.000 1.336 206 H CB 0.187 29.966 29.762 0.029 0.000 1.396 206 H HN -0.019 nan 8.280 nan 0.000 0.503 207 L N 1.438 122.682 121.223 0.034 0.000 2.552 207 L HA -0.029 4.312 4.340 0.001 0.000 0.227 207 L C 2.251 179.130 176.870 0.015 0.000 1.146 207 L CA 0.739 55.561 54.840 -0.030 0.000 0.858 207 L CB -0.347 41.458 42.059 -0.423 0.000 0.969 207 L HN 0.239 nan 8.230 nan 0.000 0.451 208 K N -0.632 119.713 120.400 -0.092 0.000 2.242 208 K HA -0.244 4.076 4.320 0.001 0.000 0.206 208 K C 1.742 178.202 176.600 -0.234 0.000 1.045 208 K CA 1.458 57.627 56.287 -0.196 0.000 0.930 208 K CB 0.025 32.322 32.500 -0.338 0.000 0.726 208 K HN 0.489 nan 8.250 nan 0.000 0.462 209 H N -1.266 117.826 119.070 0.036 0.000 2.273 209 H HA -0.045 4.511 4.556 0.001 0.000 0.317 209 H C 2.034 177.320 175.328 -0.070 0.000 1.062 209 H CA 1.461 57.463 56.048 -0.075 0.000 1.419 209 H CB -1.042 28.571 29.762 -0.248 0.000 1.442 209 H HN 0.160 nan 8.280 nan 0.000 0.542 210 Y N 2.627 122.982 120.300 0.092 0.000 2.073 210 Y HA -0.337 4.213 4.550 0.000 0.000 0.270 210 Y C 2.844 178.733 175.900 -0.018 0.000 1.226 210 Y CA 1.697 59.793 58.100 -0.007 0.000 1.117 210 Y CB -1.111 37.288 38.460 -0.102 0.000 0.939 210 Y HN 0.178 nan 8.280 nan 0.000 0.504 211 L N -1.492 119.816 121.223 0.142 0.000 1.924 211 L HA -0.303 4.037 4.340 0.001 0.000 0.237 211 L C 2.296 179.198 176.870 0.053 0.000 1.090 211 L CA 1.975 56.854 54.840 0.065 0.000 0.829 211 L CB -1.351 40.749 42.059 0.069 0.000 0.903 211 L HN 0.200 nan 8.230 nan 0.000 0.430 212 H N 0.447 119.542 119.070 0.042 0.000 2.394 212 H HA -0.115 4.441 4.556 0.001 0.000 0.297 212 H C 2.349 177.684 175.328 0.011 0.000 1.113 212 H CA 2.297 58.362 56.048 0.028 0.000 1.277 212 H CB -0.360 29.423 29.762 0.036 0.000 1.370 212 H HN 0.487 nan 8.280 nan 0.000 0.506 213 I N 0.263 120.921 120.570 0.147 0.000 2.953 213 I HA -0.223 3.947 4.170 0.001 0.000 0.271 213 I C 1.424 177.571 176.117 0.051 0.000 1.286 213 I CA 1.022 62.368 61.300 0.075 0.000 1.449 213 I CB -0.031 37.988 38.000 0.032 0.000 1.086 213 I HN 0.229 nan 8.210 nan 0.000 0.483 214 I N -1.624 118.972 120.570 0.044 0.000 4.866 214 I HA 0.163 4.333 4.170 0.001 0.000 0.325 214 I C 0.277 176.363 176.117 -0.050 0.000 1.240 214 I CA 0.057 61.359 61.300 0.004 0.000 1.355 214 I CB 0.620 38.622 38.000 0.003 0.000 1.395 214 I HN -0.033 nan 8.210 nan 0.000 0.479 215 E N 3.014 123.154 120.200 -0.100 0.000 2.266 215 E HA 0.399 4.749 4.350 0.001 0.000 0.268 215 E C -0.785 175.703 176.600 -0.187 0.000 0.879 215 E CA -0.299 55.952 56.400 -0.248 0.000 0.762 215 E CB 1.677 31.038 29.700 -0.565 0.000 1.199 215 E HN 0.244 nan 8.360 nan 0.000 0.422 216 N N 1.494 120.132 118.700 -0.104 0.000 3.608 216 N HA -0.044 4.696 4.740 0.001 0.000 0.134 216 N C -1.149 174.436 175.510 0.125 0.000 0.977 216 N CA -0.085 53.015 53.050 0.083 0.000 3.004 216 N CB -0.423 38.189 38.487 0.207 0.000 1.225 216 N HN 0.268 nan 8.380 nan 0.000 0.796 217 K N 0.557 121.011 120.400 0.091 0.000 2.240 217 K HA 0.515 4.835 4.320 0.001 0.000 0.237 217 K C -1.349 175.351 176.600 0.167 0.000 1.027 217 K CA -1.498 54.844 56.287 0.093 0.000 0.937 217 K CB 1.045 33.560 32.500 0.026 0.000 1.171 217 K HN -0.136 nan 8.250 nan 0.000 0.479 218 P HA -0.035 nan 4.420 nan 0.000 0.230 218 P C -0.263 177.107 177.300 0.115 0.000 1.158 218 P CA 1.106 64.262 63.100 0.094 0.000 0.769 218 P CB 0.392 32.123 31.700 0.052 0.000 0.807 219 L N -1.818 119.504 121.223 0.165 0.000 2.359 219 L HA 0.485 4.825 4.340 0.001 0.000 0.256 219 L C -0.952 176.142 176.870 0.375 0.000 1.026 219 L CA -1.243 53.707 54.840 0.184 0.000 0.828 219 L CB 1.823 43.918 42.059 0.059 0.000 1.406 219 L HN -0.282 nan 8.230 nan 0.000 0.413 220 Y N 1.240 121.510 120.300 -0.049 0.000 2.406 220 Y HA 0.407 4.957 4.550 0.000 0.000 0.340 220 Y C -2.263 173.589 175.900 -0.081 0.000 0.975 220 Y CA -2.859 55.214 58.100 -0.044 0.000 1.056 220 Y CB 1.863 40.308 38.460 -0.025 0.000 1.210 220 Y HN 0.220 nan 8.280 nan 0.000 0.448 221 P HA 0.260 nan 4.420 nan 0.000 0.271 221 P C -0.953 176.344 177.300 -0.004 0.000 1.216 221 P CA 0.123 63.202 63.100 -0.035 0.000 0.776 221 P CB 1.612 33.365 31.700 0.089 0.000 0.881 222 V N 0.369 120.228 119.914 -0.092 0.000 3.120 222 V HA 0.608 4.728 4.120 0.001 0.000 0.303 222 V C -0.781 175.204 176.094 -0.181 0.000 1.238 222 V CA -0.986 61.190 62.300 -0.205 0.000 1.008 222 V CB 2.107 33.661 31.823 -0.447 0.000 1.064 222 V HN 0.339 nan 8.190 nan 0.000 0.434 223 I N 3.257 123.697 120.570 -0.217 0.000 2.439 223 I HA 0.605 4.776 4.170 0.001 0.000 0.285 223 I C -1.045 174.999 176.117 -0.121 0.000 1.021 223 I CA -0.366 60.901 61.300 -0.056 0.000 1.091 223 I CB 1.691 39.760 38.000 0.116 0.000 1.242 223 I HN 0.651 nan 8.210 nan 0.000 0.439 224 Y N 4.082 124.428 120.300 0.077 0.000 2.679 224 Y HA 0.577 5.128 4.550 0.000 0.000 0.331 224 Y C 0.261 176.168 175.900 0.012 0.000 1.183 224 Y CA -0.864 57.245 58.100 0.015 0.000 1.290 224 Y CB 0.822 39.267 38.460 -0.025 0.000 1.489 224 Y HN 0.566 nan 8.280 nan 0.000 0.583 225 D N -2.586 117.861 120.400 0.077 0.000 2.677 225 D HA 0.133 4.773 4.640 0.001 0.000 0.298 225 D C 0.598 176.766 176.300 -0.221 0.000 1.250 225 D CA -0.297 53.538 54.000 -0.275 0.000 0.888 225 D CB 1.384 41.853 40.800 -0.552 0.000 1.397 225 D HN 0.430 nan 8.370 nan 0.000 0.461 226 S N -0.121 115.397 115.700 -0.304 0.000 2.389 226 S HA -0.264 4.206 4.470 0.001 0.000 0.229 226 S C 1.428 175.938 174.600 -0.150 0.000 1.048 226 S CA 2.208 60.291 58.200 -0.195 0.000 1.117 226 S CB -0.808 62.276 63.200 -0.194 0.000 1.020 226 S HN 0.529 nan 8.310 nan 0.000 0.430 227 N N 1.009 119.625 118.700 -0.140 0.000 2.184 227 N HA -0.104 4.636 4.740 0.001 0.000 0.190 227 N C 1.536 176.979 175.510 -0.113 0.000 1.011 227 N CA 1.428 54.417 53.050 -0.102 0.000 0.867 227 N CB -0.780 37.667 38.487 -0.067 0.000 0.993 227 N HN 0.755 nan 8.380 nan 0.000 0.433 228 G N -0.808 107.916 108.800 -0.126 0.000 2.163 228 G HA2 -0.237 3.723 3.960 0.001 0.000 0.213 228 G HA3 -0.237 3.723 3.960 0.001 0.000 0.213 228 G C -0.051 174.792 174.900 -0.095 0.000 0.991 228 G CA 0.113 45.098 45.100 -0.192 0.000 0.653 228 G HN 0.199 nan 8.290 nan 0.000 0.518 229 V N 0.793 120.710 119.914 0.005 0.000 2.715 229 V HA 0.447 4.567 4.120 0.001 0.000 0.299 229 V C 1.262 177.479 176.094 0.205 0.000 1.054 229 V CA 0.075 62.435 62.300 0.100 0.000 1.077 229 V CB 1.770 33.695 31.823 0.170 0.000 0.972 229 V HN 0.710 nan 8.190 nan 0.000 0.484 230 V N 6.275 126.303 119.914 0.190 0.000 2.389 230 V HA 0.185 4.305 4.120 0.001 0.000 0.264 230 V C 0.993 177.118 176.094 0.051 0.000 1.049 230 V CA -0.045 62.285 62.300 0.049 0.000 0.932 230 V CB 0.619 32.261 31.823 -0.301 0.000 1.011 230 V HN 0.761 nan 8.190 nan 0.000 0.475 231 L N 5.038 126.260 121.223 -0.002 0.000 2.005 231 L HA 0.093 4.434 4.340 0.001 0.000 0.207 231 L C 1.103 178.001 176.870 0.046 0.000 1.072 231 L CA 1.984 56.761 54.840 -0.106 0.000 0.744 231 L CB -0.819 41.136 42.059 -0.173 0.000 0.895 231 L HN 1.013 nan 8.230 nan 0.000 0.433 232 S N -2.602 113.138 115.700 0.067 0.000 2.645 232 S HA 0.241 4.711 4.470 0.001 0.000 0.268 232 S C -0.691 173.958 174.600 0.082 0.000 1.110 232 S CA -0.727 57.630 58.200 0.262 0.000 0.823 232 S CB 1.401 64.816 63.200 0.359 0.000 1.091 232 S HN 0.103 nan 8.310 nan 0.000 0.466 233 M N 1.948 121.682 119.600 0.223 0.000 3.157 233 M HA 0.364 4.844 4.480 0.001 0.000 0.213 233 M C -2.207 174.178 176.300 0.140 0.000 1.177 233 M CA -1.664 53.726 55.300 0.150 0.000 1.109 233 M CB -0.028 32.723 32.600 0.252 0.000 1.262 233 M HN 0.512 nan 8.290 nan 0.000 0.570 234 P HA -0.319 nan 4.420 nan 0.000 0.230 234 P C -1.749 175.566 177.300 0.026 0.000 0.769 234 P CA 2.674 65.823 63.100 0.082 0.000 1.097 234 P CB -1.508 30.270 31.700 0.130 0.000 0.679 235 P HA 0.015 nan 4.420 nan 0.000 0.221 235 P C 1.309 178.546 177.300 -0.106 0.000 1.155 235 P CA 1.022 64.100 63.100 -0.037 0.000 0.812 235 P CB -0.219 31.474 31.700 -0.011 0.000 0.801 236 I N -0.899 119.635 120.570 -0.061 0.000 2.490 236 I HA 0.036 4.206 4.170 0.001 0.000 0.234 236 I C 0.959 176.968 176.117 -0.181 0.000 1.066 236 I CA 0.928 62.157 61.300 -0.117 0.000 1.405 236 I CB -0.803 37.204 38.000 0.010 0.000 1.191 236 I HN -0.151 nan 8.210 nan 0.000 0.433 237 I N -2.192 118.366 120.570 -0.020 0.000 3.006 237 I HA 0.485 4.655 4.170 0.001 0.000 0.306 237 I C -0.985 175.217 176.117 0.142 0.000 1.250 237 I CA -1.340 59.946 61.300 -0.022 0.000 0.996 237 I CB 1.011 38.976 38.000 -0.058 0.000 1.261 237 I HN -0.082 nan 8.210 nan 0.000 0.442 238 N N 0.850 119.618 118.700 0.113 0.000 2.476 238 N HA 0.690 5.430 4.740 0.001 0.000 0.276 238 N C -0.010 175.650 175.510 0.250 0.000 1.204 238 N CA -0.379 52.833 53.050 0.271 0.000 0.974 238 N CB 0.945 39.578 38.487 0.243 0.000 1.204 238 N HN 1.055 nan 8.380 nan 0.000 0.543 239 G N -0.826 108.244 108.800 0.450 0.000 2.403 239 G HA2 -0.013 3.947 3.960 0.001 0.000 0.259 239 G HA3 -0.013 3.947 3.960 0.001 0.000 0.259 239 G C 0.436 175.446 174.900 0.183 0.000 1.244 239 G CA -0.301 45.025 45.100 0.377 0.000 0.849 239 G HN 0.674 nan 8.290 nan 0.000 0.532 240 D N 0.849 121.294 120.400 0.076 0.000 2.264 240 D HA -0.177 4.463 4.640 0.001 0.000 0.208 240 D C 1.630 178.023 176.300 0.154 0.000 0.966 240 D CA 0.689 54.739 54.000 0.083 0.000 0.864 240 D CB 0.152 40.973 40.800 0.036 0.000 0.933 240 D HN 0.593 nan 8.370 nan 0.000 0.499 241 H N 0.933 120.064 119.070 0.102 0.000 2.326 241 H HA -0.044 4.513 4.556 0.000 0.000 0.301 241 H C 1.670 177.053 175.328 0.092 0.000 1.081 241 H CA 2.373 58.476 56.048 0.092 0.000 1.334 241 H CB -0.321 29.505 29.762 0.107 0.000 1.385 241 H HN 0.049 nan 8.280 nan 0.000 0.504 242 S N 0.204 115.886 115.700 -0.030 0.000 2.660 242 S HA 0.108 4.578 4.470 0.001 0.000 0.227 242 S C 0.965 175.626 174.600 0.103 0.000 0.948 242 S CA -0.584 57.582 58.200 -0.057 0.000 0.948 242 S CB -0.231 62.949 63.200 -0.033 0.000 0.779 242 S HN 0.384 nan 8.310 nan 0.000 0.487 243 R N 1.233 121.784 120.500 0.085 0.000 2.758 243 R HA 0.182 4.522 4.340 0.001 0.000 0.263 243 R C -0.693 175.633 176.300 0.043 0.000 1.010 243 R CA -0.012 56.140 56.100 0.087 0.000 1.114 243 R CB 0.111 30.448 30.300 0.063 0.000 0.985 243 R HN 0.399 nan 8.270 nan 0.000 0.439 244 I N 0.623 121.219 120.570 0.044 0.000 2.378 244 I HA 0.434 4.604 4.170 0.001 0.000 0.291 244 I C -0.490 175.626 176.117 -0.002 0.000 0.992 244 I CA -0.340 60.949 61.300 -0.018 0.000 1.154 244 I CB 1.941 39.912 38.000 -0.048 0.000 1.315 244 I HN 0.420 nan 8.210 nan 0.000 0.448 245 T N 3.517 117.962 114.554 -0.181 0.000 2.901 245 T HA 0.359 4.710 4.350 0.001 0.000 0.293 245 T C 1.396 175.741 174.700 -0.591 0.000 1.084 245 T CA -0.710 61.139 62.100 -0.418 0.000 1.008 245 T CB 2.144 70.830 68.868 -0.303 0.000 1.170 245 T HN 0.371 nan 8.240 nan 0.000 0.509 246 V N 1.667 121.066 119.914 -0.858 0.000 2.352 246 V HA -0.288 3.832 4.120 0.001 0.000 0.263 246 V C 1.915 177.857 176.094 -0.254 0.000 1.103 246 V CA 1.970 63.964 62.300 -0.509 0.000 1.099 246 V CB -0.676 30.927 31.823 -0.366 0.000 0.685 246 V HN 0.780 nan 8.190 nan 0.000 0.455 247 N N -1.020 117.540 118.700 -0.233 0.000 2.398 247 N HA 0.012 4.752 4.740 0.001 0.000 0.188 247 N C 0.734 176.171 175.510 -0.122 0.000 1.122 247 N CA 0.245 53.217 53.050 -0.129 0.000 0.866 247 N CB 0.015 38.441 38.487 -0.102 0.000 0.970 247 N HN 0.482 nan 8.380 nan 0.000 0.462 248 T N 1.063 115.492 114.554 -0.209 0.000 2.946 248 T HA 0.038 4.388 4.350 0.001 0.000 0.311 248 T C 1.408 176.065 174.700 -0.072 0.000 1.063 248 T CA 0.145 62.145 62.100 -0.167 0.000 1.139 248 T CB 1.753 70.463 68.868 -0.263 0.000 0.994 248 T HN 0.031 nan 8.240 nan 0.000 0.547 249 R N 1.717 122.205 120.500 -0.019 0.000 2.121 249 R HA 0.183 4.523 4.340 0.001 0.000 0.206 249 R C 0.139 176.473 176.300 0.058 0.000 1.094 249 R CA 0.720 56.840 56.100 0.034 0.000 1.055 249 R CB 0.159 30.477 30.300 0.029 0.000 0.964 249 R HN 0.665 nan 8.270 nan 0.000 0.473 250 N N 0.315 119.044 118.700 0.047 0.000 2.314 250 N HA 0.399 5.139 4.740 0.001 0.000 0.294 250 N C -0.987 174.568 175.510 0.075 0.000 1.029 250 N CA -0.407 52.688 53.050 0.075 0.000 0.845 250 N CB 2.533 41.072 38.487 0.087 0.000 1.321 250 N HN -0.067 nan 8.380 nan 0.000 0.481 251 I N 1.976 122.600 120.570 0.089 0.000 2.404 251 I HA 0.333 4.503 4.170 0.001 0.000 0.293 251 I C -1.023 175.187 176.117 0.154 0.000 0.992 251 I CA -0.809 60.545 61.300 0.089 0.000 1.149 251 I CB 1.303 39.315 38.000 0.020 0.000 1.315 251 I HN 0.447 nan 8.210 nan 0.000 0.446 252 F N 7.924 127.883 119.950 0.015 0.000 2.375 252 F HA 0.603 5.130 4.527 0.000 0.000 0.361 252 F C -0.666 175.101 175.800 -0.056 0.000 1.117 252 F CA -0.591 57.392 58.000 -0.029 0.000 1.037 252 F CB 0.655 39.605 39.000 -0.083 0.000 1.192 252 F HN 0.192 nan 8.300 nan 0.000 0.452 253 I N 6.401 126.616 120.570 -0.592 0.000 2.359 253 I HA 0.360 4.531 4.170 0.001 0.000 0.294 253 I C -0.504 175.134 176.117 -0.800 0.000 0.987 253 I CA -0.634 60.350 61.300 -0.527 0.000 1.225 253 I CB 1.497 39.335 38.000 -0.270 0.000 1.366 253 I HN 0.529 nan 8.210 nan 0.000 0.466 254 E N 6.855 126.700 120.200 -0.592 0.000 2.266 254 E HA 0.488 4.839 4.350 0.001 0.000 0.268 254 E C -1.997 174.388 176.600 -0.359 0.000 0.879 254 E CA -0.542 55.559 56.400 -0.499 0.000 0.762 254 E CB 2.221 31.741 29.700 -0.300 0.000 1.199 254 E HN 0.633 nan 8.360 nan 0.000 0.422 255 C N 2.770 121.843 119.300 -0.378 0.000 2.397 255 C HA 0.665 5.125 4.460 0.001 0.000 0.325 255 C C 0.038 174.818 174.990 -0.348 0.000 1.201 255 C CA -0.459 58.366 59.018 -0.322 0.000 1.377 255 C CB 0.777 28.322 27.740 -0.325 0.000 2.038 255 C HN 0.806 nan 8.230 nan 0.000 0.457 256 T N 0.495 114.881 114.554 -0.280 0.000 2.942 256 T HA 0.975 5.325 4.350 0.001 0.000 0.289 256 T C -0.113 174.544 174.700 -0.071 0.000 1.044 256 T CA 0.044 61.979 62.100 -0.275 0.000 1.023 256 T CB 2.093 70.748 68.868 -0.356 0.000 1.123 256 T HN 1.604 nan 8.240 nan 0.000 0.512 257 G N -0.112 108.723 108.800 0.058 0.000 2.320 257 G HA2 0.387 4.347 3.960 0.001 0.000 0.297 257 G HA3 0.387 4.347 3.960 0.001 0.000 0.297 257 G C 0.311 175.357 174.900 0.244 0.000 1.344 257 G CA 0.135 45.310 45.100 0.125 0.000 0.851 257 G HN 1.189 nan 8.290 nan 0.000 0.567 258 T N -2.916 111.766 114.554 0.213 0.000 3.051 258 T HA 0.205 4.555 4.350 0.001 0.000 0.255 258 T C 0.427 175.452 174.700 0.542 0.000 1.085 258 T CA 1.453 63.694 62.100 0.235 0.000 1.109 258 T CB 0.306 69.245 68.868 0.118 0.000 0.921 258 T HN 0.430 nan 8.240 nan 0.000 0.488 259 D N 0.381 121.026 120.400 0.408 0.000 2.454 259 D HA 0.243 4.884 4.640 0.001 0.000 0.225 259 D C 0.300 176.650 176.300 0.084 0.000 1.081 259 D CA -0.897 53.275 54.000 0.287 0.000 0.864 259 D CB 0.684 41.560 40.800 0.127 0.000 1.040 259 D HN 0.033 nan 8.370 nan 0.000 0.517 260 F N 3.172 122.833 119.950 -0.482 0.000 2.005 260 F HA -0.321 4.207 4.527 0.000 0.000 0.297 260 F C 2.442 178.030 175.800 -0.353 0.000 1.175 260 F CA 2.867 60.339 58.000 -0.880 0.000 1.192 260 F CB -0.809 37.418 39.000 -1.288 0.000 0.953 260 F HN 0.431 nan 8.300 nan 0.000 0.504 261 T N -0.784 113.913 114.554 0.238 0.000 2.680 261 T HA -0.318 4.032 4.350 0.001 0.000 0.268 261 T C 1.966 176.656 174.700 -0.018 0.000 1.033 261 T CA 2.001 64.195 62.100 0.157 0.000 1.152 261 T CB -0.756 68.171 68.868 0.099 0.000 0.859 261 T HN 0.344 nan 8.240 nan 0.000 0.452 262 K N 1.535 121.905 120.400 -0.049 0.000 2.002 262 K HA 0.025 4.345 4.320 0.001 0.000 0.209 262 K C 2.947 179.446 176.600 -0.168 0.000 1.048 262 K CA 1.321 57.546 56.287 -0.103 0.000 0.930 262 K CB -0.655 31.799 32.500 -0.077 0.000 0.714 262 K HN 0.457 nan 8.250 nan 0.000 0.438 263 A N 2.039 124.744 122.820 -0.192 0.000 1.873 263 A HA -0.267 4.053 4.320 0.001 0.000 0.218 263 A C 2.099 179.511 177.584 -0.288 0.000 1.193 263 A CA 2.066 53.949 52.037 -0.256 0.000 0.629 263 A CB -0.581 18.235 19.000 -0.307 0.000 0.826 263 A HN 0.284 nan 8.150 nan 0.000 0.447 264 K N -0.858 119.350 120.400 -0.321 0.000 2.127 264 K HA -0.183 4.138 4.320 0.001 0.000 0.208 264 K C 1.739 178.267 176.600 -0.120 0.000 1.047 264 K CA 1.747 57.907 56.287 -0.213 0.000 0.927 264 K CB -0.212 32.236 32.500 -0.087 0.000 0.716 264 K HN 0.440 nan 8.250 nan 0.000 0.450 265 I N 0.379 120.869 120.570 -0.134 0.000 2.277 265 I HA -0.188 3.983 4.170 0.001 0.000 0.243 265 I C 2.263 178.262 176.117 -0.197 0.000 1.094 265 I CA 0.848 62.063 61.300 -0.140 0.000 1.393 265 I CB -0.943 36.964 38.000 -0.155 0.000 1.078 265 I HN -0.008 nan 8.210 nan 0.000 0.417 266 V N 1.368 121.133 119.914 -0.247 0.000 2.324 266 V HA -0.304 3.816 4.120 0.001 0.000 0.250 266 V C 2.591 178.545 176.094 -0.234 0.000 1.060 266 V CA 1.725 63.860 62.300 -0.274 0.000 1.042 266 V CB -0.770 30.878 31.823 -0.290 0.000 0.650 266 V HN 0.377 nan 8.190 nan 0.000 0.450 267 L N 0.030 121.123 121.223 -0.217 0.000 1.955 267 L HA -0.264 4.076 4.340 0.001 0.000 0.213 267 L C 2.394 179.186 176.870 -0.131 0.000 1.072 267 L CA 2.486 57.215 54.840 -0.187 0.000 0.755 267 L CB -0.591 41.356 42.059 -0.187 0.000 0.888 267 L HN 0.322 nan 8.230 nan 0.000 0.432 268 D N -0.013 120.324 120.400 -0.106 0.000 2.133 268 D HA -0.269 4.371 4.640 0.001 0.000 0.192 268 D C 2.172 178.393 176.300 -0.132 0.000 1.001 268 D CA 1.627 55.571 54.000 -0.094 0.000 0.844 268 D CB -0.123 40.626 40.800 -0.085 0.000 0.944 268 D HN 0.259 nan 8.370 nan 0.000 0.447 269 I N 0.446 120.930 120.570 -0.144 0.000 2.127 269 I HA -0.221 3.949 4.170 0.001 0.000 0.241 269 I C 2.374 178.434 176.117 -0.094 0.000 1.075 269 I CA 1.060 62.279 61.300 -0.136 0.000 1.334 269 I CB -0.792 37.129 38.000 -0.133 0.000 1.040 269 I HN 0.123 nan 8.210 nan 0.000 0.405 270 I N -0.150 120.359 120.570 -0.100 0.000 2.099 270 I HA -0.291 3.879 4.170 0.001 0.000 0.239 270 I C 2.696 178.863 176.117 0.082 0.000 1.066 270 I CA 1.238 62.504 61.300 -0.057 0.000 1.324 270 I CB -0.554 37.342 38.000 -0.173 0.000 1.037 270 I HN 0.005 nan 8.210 nan 0.000 0.401 271 V N 0.003 119.938 119.914 0.035 0.000 2.407 271 V HA -0.307 3.813 4.120 0.001 0.000 0.248 271 V C 2.574 178.722 176.094 0.090 0.000 1.055 271 V CA 2.657 65.013 62.300 0.094 0.000 1.049 271 V CB -0.271 31.581 31.823 0.047 0.000 0.662 271 V HN 0.532 nan 8.190 nan 0.000 0.455 272 T N -1.500 113.030 114.554 -0.039 0.000 2.951 272 T HA -0.146 4.204 4.350 0.001 0.000 0.268 272 T C 1.701 176.337 174.700 -0.106 0.000 1.073 272 T CA 1.763 63.738 62.100 -0.209 0.000 1.134 272 T CB -0.082 68.436 68.868 -0.584 0.000 0.884 272 T HN 0.356 nan 8.240 nan 0.000 0.479 273 M N 0.122 119.697 119.600 -0.041 0.000 2.081 273 M HA 0.223 4.704 4.480 0.001 0.000 0.261 273 M C 1.125 177.331 176.300 -0.156 0.000 1.075 273 M CA 1.651 56.915 55.300 -0.060 0.000 1.133 273 M CB -0.404 32.189 32.600 -0.011 0.000 1.330 273 M HN 0.287 nan 8.290 nan 0.000 0.414 274 F N -0.521 119.434 119.950 0.009 0.000 2.797 274 F HA 0.114 4.642 4.527 0.001 0.000 0.302 274 F C 2.195 177.949 175.800 -0.076 0.000 1.130 274 F CA 0.560 58.537 58.000 -0.039 0.000 1.387 274 F CB -0.685 38.457 39.000 0.237 0.000 1.107 274 F HN 0.259 nan 8.300 nan 0.000 0.577 275 S N -0.668 115.111 115.700 0.131 0.000 2.595 275 S HA -0.172 4.298 4.470 0.001 0.000 0.235 275 S C 1.700 176.177 174.600 -0.206 0.000 0.974 275 S CA 0.746 59.002 58.200 0.093 0.000 0.942 275 S CB -0.598 62.747 63.200 0.243 0.000 0.766 275 S HN 0.607 nan 8.310 nan 0.000 0.536 276 E N 0.356 120.280 120.200 -0.460 0.000 2.347 276 E HA -0.074 4.276 4.350 0.001 0.000 0.196 276 E C 0.478 176.759 176.600 -0.531 0.000 1.008 276 E CA 0.620 56.448 56.400 -0.954 0.000 0.852 276 E CB -0.055 29.163 29.700 -0.803 0.000 0.783 276 E HN 0.895 nan 8.360 nan 0.000 0.505 277 Y N -0.840 119.341 120.300 -0.199 0.000 2.507 277 Y HA 0.205 4.755 4.550 0.000 0.000 0.254 277 Y C 0.666 176.516 175.900 -0.084 0.000 1.171 277 Y CA -1.293 56.725 58.100 -0.136 0.000 1.238 277 Y CB 0.523 38.908 38.460 -0.125 0.000 1.148 277 Y HN 0.032 nan 8.280 nan 0.000 0.525 278 C N 0.994 120.324 119.300 0.051 0.000 2.534 278 C HA -0.010 4.450 4.460 0.001 0.000 0.385 278 C C 2.251 177.259 174.990 0.030 0.000 1.264 278 C CA -0.319 58.733 59.018 0.057 0.000 2.342 278 C CB 1.083 28.860 27.740 0.060 0.000 2.564 278 C HN 0.602 nan 8.230 nan 0.000 0.603 279 E N 1.710 121.937 120.200 0.045 0.000 2.070 279 E HA -0.247 4.103 4.350 0.001 0.000 0.197 279 E C 1.079 177.695 176.600 0.026 0.000 1.004 279 E CA 1.231 57.651 56.400 0.034 0.000 0.805 279 E CB -0.065 29.659 29.700 0.041 0.000 0.744 279 E HN 0.675 nan 8.360 nan 0.000 0.451 280 N N 1.613 120.334 118.700 0.036 0.000 3.298 280 N HA -0.044 4.697 4.740 0.001 0.000 0.292 280 N C -1.077 174.452 175.510 0.032 0.000 1.271 280 N CA -0.022 53.052 53.050 0.040 0.000 1.184 280 N CB 0.168 38.688 38.487 0.055 0.000 1.452 280 N HN 0.257 nan 8.380 nan 0.000 0.534 281 Q N 1.493 121.283 119.800 -0.017 0.000 2.873 281 Q HA -0.208 4.132 4.340 0.001 0.000 0.385 281 Q C -0.448 175.547 176.000 -0.007 0.000 1.117 281 Q CA 0.901 56.626 55.803 -0.129 0.000 1.167 281 Q CB -0.082 28.539 28.738 -0.195 0.000 1.105 281 Q HN 0.554 nan 8.270 nan 0.000 0.444 282 F N 0.919 120.916 119.950 0.079 0.000 2.983 282 F HA -0.280 4.248 4.527 0.000 0.000 0.288 282 F C 0.088 175.963 175.800 0.125 0.000 0.980 282 F CA 0.911 58.982 58.000 0.118 0.000 0.965 282 F CB -1.395 37.626 39.000 0.036 0.000 0.967 282 F HN 0.524 nan 8.300 nan 0.000 0.800 283 T N 0.455 115.158 114.554 0.248 0.000 2.933 283 T HA 0.726 5.077 4.350 0.001 0.000 0.305 283 T C -0.859 173.946 174.700 0.174 0.000 1.092 283 T CA -0.581 61.634 62.100 0.192 0.000 1.008 283 T CB 1.727 70.674 68.868 0.132 0.000 1.102 283 T HN 0.023 nan 8.240 nan 0.000 0.469 284 V N 4.224 124.236 119.914 0.163 0.000 2.540 284 V HA 0.474 4.594 4.120 0.001 0.000 0.302 284 V C 0.083 176.250 176.094 0.122 0.000 1.035 284 V CA -0.930 61.455 62.300 0.142 0.000 0.873 284 V CB 1.713 33.621 31.823 0.142 0.000 0.992 284 V HN 0.929 nan 8.190 nan 0.000 0.428 285 E N 3.698 123.967 120.200 0.115 0.000 2.217 285 E HA 0.516 4.866 4.350 0.001 0.000 0.279 285 E C 0.448 177.118 176.600 0.117 0.000 1.068 285 E CA -0.330 56.137 56.400 0.112 0.000 0.882 285 E CB 1.086 30.855 29.700 0.115 0.000 1.039 285 E HN 0.895 nan 8.360 nan 0.000 0.418 286 A N 3.566 126.455 122.820 0.114 0.000 2.567 286 A HA 0.391 4.711 4.320 0.001 0.000 0.236 286 A C -0.082 177.590 177.584 0.147 0.000 1.088 286 A CA 0.653 52.764 52.037 0.124 0.000 0.776 286 A CB 0.250 19.314 19.000 0.106 0.000 1.033 286 A HN 0.751 nan 8.150 nan 0.000 0.513 287 A N 0.350 123.275 122.820 0.176 0.000 2.520 287 A HA 0.623 4.943 4.320 0.001 0.000 0.298 287 A C -0.618 177.112 177.584 0.243 0.000 1.051 287 A CA -0.374 51.786 52.037 0.204 0.000 0.690 287 A CB 1.043 20.151 19.000 0.179 0.000 1.281 287 A HN 0.884 nan 8.150 nan 0.000 0.402 288 E N 1.765 122.103 120.200 0.229 0.000 2.109 288 E HA 0.526 4.877 4.350 0.001 0.000 0.278 288 E C -1.292 175.455 176.600 0.246 0.000 0.954 288 E CA -0.375 56.165 56.400 0.233 0.000 0.779 288 E CB 1.114 30.916 29.700 0.170 0.000 1.093 288 E HN 0.421 nan 8.360 nan 0.000 0.401 289 V N 5.161 125.273 119.914 0.330 0.000 2.394 289 V HA 0.252 4.372 4.120 0.001 0.000 0.282 289 V C -0.168 176.057 176.094 0.218 0.000 1.031 289 V CA -0.736 61.700 62.300 0.227 0.000 0.881 289 V CB 1.583 33.503 31.823 0.162 0.000 0.982 289 V HN 0.475 nan 8.190 nan 0.000 0.451 290 V N 5.825 125.807 119.914 0.114 0.000 2.370 290 V HA 0.456 4.577 4.120 0.001 0.000 0.283 290 V C -0.196 175.960 176.094 0.104 0.000 1.023 290 V CA -0.488 61.887 62.300 0.124 0.000 0.857 290 V CB 1.163 33.047 31.823 0.102 0.000 0.985 290 V HN 0.612 nan 8.190 nan 0.000 0.443 291 F N 5.753 125.775 119.950 0.118 0.000 2.375 291 F HA 0.351 4.879 4.527 0.000 0.000 0.313 291 F C -1.043 174.839 175.800 0.136 0.000 1.176 291 F CA -1.631 56.481 58.000 0.186 0.000 1.142 291 F CB 0.501 39.666 39.000 0.276 0.000 1.275 291 F HN 0.344 nan 8.300 nan 0.000 0.544 292 P HA -0.181 nan 4.420 nan 0.000 0.219 292 P C 1.393 178.808 177.300 0.192 0.000 1.146 292 P CA 1.204 64.421 63.100 0.196 0.000 0.808 292 P CB 0.034 31.838 31.700 0.174 0.000 0.779 293 N N -0.317 118.540 118.700 0.262 0.000 2.272 293 N HA -0.164 4.576 4.740 0.001 0.000 0.185 293 N C 1.490 177.088 175.510 0.148 0.000 1.014 293 N CA 1.878 55.044 53.050 0.193 0.000 0.870 293 N CB -0.468 38.147 38.487 0.213 0.000 0.975 293 N HN 0.181 nan 8.380 nan 0.000 0.433 294 G N -0.062 108.833 108.800 0.158 0.000 2.234 294 G HA2 -0.206 3.754 3.960 0.001 0.000 0.235 294 G HA3 -0.206 3.754 3.960 0.001 0.000 0.235 294 G C 0.033 174.983 174.900 0.084 0.000 0.997 294 G CA 0.136 45.300 45.100 0.107 0.000 0.623 294 G HN 0.327 nan 8.290 nan 0.000 0.514 295 K N 0.855 121.305 120.400 0.082 0.000 2.126 295 K HA 0.665 4.986 4.320 0.001 0.000 0.257 295 K C -0.177 176.339 176.600 -0.140 0.000 1.007 295 K CA -0.082 56.198 56.287 -0.013 0.000 0.928 295 K CB 1.331 33.838 32.500 0.011 0.000 1.013 295 K HN 0.172 nan 8.250 nan 0.000 0.473 296 S N 1.758 117.339 115.700 -0.198 0.000 2.552 296 S HA 0.357 4.828 4.470 0.001 0.000 0.314 296 S C -0.888 173.600 174.600 -0.187 0.000 1.099 296 S CA -0.890 57.219 58.200 -0.152 0.000 1.070 296 S CB 0.716 63.924 63.200 0.013 0.000 0.998 296 S HN 0.384 nan 8.310 nan 0.000 0.474 297 H N 1.071 120.314 119.070 0.289 0.000 2.569 297 H HA 0.469 5.026 4.556 0.000 0.000 0.357 297 H C -0.196 175.181 175.328 0.083 0.000 1.153 297 H CA -0.615 55.517 56.048 0.140 0.000 1.193 297 H CB 1.153 31.021 29.762 0.177 0.000 1.602 297 H HN 0.382 nan 8.280 nan 0.000 0.523 298 T N 2.886 117.431 114.554 -0.015 0.000 2.909 298 T HA 0.481 4.831 4.350 0.001 0.000 0.286 298 T C -0.204 174.320 174.700 -0.294 0.000 1.002 298 T CA -0.196 61.895 62.100 -0.016 0.000 1.074 298 T CB 0.260 69.131 68.868 0.005 0.000 0.984 298 T HN 0.262 nan 8.240 nan 0.000 0.495 299 F N 2.106 122.120 119.950 0.107 0.000 2.643 299 F HA 0.506 5.033 4.527 0.001 0.000 0.314 299 F C -2.224 173.601 175.800 0.041 0.000 1.096 299 F CA -2.316 55.724 58.000 0.066 0.000 0.953 299 F CB 1.998 41.018 39.000 0.034 0.000 1.345 299 F HN 0.308 nan 8.300 nan 0.000 0.468 300 P HA 0.151 nan 4.420 nan 0.000 0.276 300 P C -1.311 176.089 177.300 0.166 0.000 1.244 300 P CA -0.439 62.833 63.100 0.286 0.000 0.801 300 P CB 0.893 32.678 31.700 0.141 0.000 1.006 301 E N 1.822 122.111 120.200 0.148 0.000 1.964 301 E HA 0.232 4.582 4.350 0.001 0.000 0.264 301 E C -0.187 176.465 176.600 0.086 0.000 1.120 301 E CA -0.532 55.891 56.400 0.039 0.000 1.061 301 E CB -0.671 29.010 29.700 -0.033 0.000 1.190 301 E HN 0.325 nan 8.360 nan 0.000 0.459 302 L N 2.759 124.051 121.223 0.116 0.000 2.694 302 L HA -0.001 4.339 4.340 0.001 0.000 0.287 302 L C 0.595 177.593 176.870 0.213 0.000 1.249 302 L CA -0.231 54.703 54.840 0.157 0.000 1.177 302 L CB -0.568 41.635 42.059 0.240 0.000 1.435 302 L HN 0.558 nan 8.230 nan 0.000 0.440 303 A N 3.461 126.347 122.820 0.109 0.000 2.524 303 A HA 0.153 4.473 4.320 0.001 0.000 0.250 303 A C -0.680 176.950 177.584 0.077 0.000 1.078 303 A CA 0.277 52.373 52.037 0.098 0.000 0.761 303 A CB -0.191 18.829 19.000 0.033 0.000 1.012 303 A HN 0.513 nan 8.150 nan 0.000 0.500 304 Y N 2.492 122.807 120.300 0.026 0.000 2.555 304 Y HA 0.329 4.880 4.550 0.001 0.000 0.326 304 Y C 0.594 176.505 175.900 0.019 0.000 0.984 304 Y CA -0.258 57.860 58.100 0.030 0.000 1.298 304 Y CB 1.194 39.677 38.460 0.037 0.000 1.094 304 Y HN 0.727 nan 8.280 nan 0.000 0.500 305 R N 2.285 122.825 120.500 0.066 0.000 2.490 305 R HA 0.418 4.758 4.340 0.001 0.000 0.278 305 R C -0.342 175.993 176.300 0.059 0.000 1.069 305 R CA -0.595 55.534 56.100 0.049 0.000 1.080 305 R CB 0.929 31.235 30.300 0.009 0.000 1.030 305 R HN 0.412 nan 8.270 nan 0.000 0.491 306 K N 2.232 122.661 120.400 0.048 0.000 2.679 306 K HA 0.136 4.457 4.320 0.001 0.000 0.188 306 K C -0.760 175.853 176.600 0.021 0.000 1.055 306 K CA -0.124 56.189 56.287 0.043 0.000 1.006 306 K CB 0.884 33.413 32.500 0.049 0.000 1.317 306 K HN 0.540 nan 8.250 nan 0.000 0.584 307 E N 1.466 121.672 120.200 0.009 0.000 2.342 307 E HA 0.263 4.614 4.350 0.001 0.000 0.257 307 E C -0.384 176.212 176.600 -0.008 0.000 1.150 307 E CA -0.351 56.046 56.400 -0.004 0.000 0.926 307 E CB 1.326 31.016 29.700 -0.017 0.000 1.074 307 E HN 0.220 nan 8.360 nan 0.000 0.449 308 M N 1.947 121.538 119.600 -0.015 0.000 2.464 308 M HA 0.397 4.877 4.480 0.001 0.000 0.308 308 M C -1.869 174.413 176.300 -0.030 0.000 1.127 308 M CA -0.782 54.508 55.300 -0.017 0.000 0.913 308 M CB 1.756 34.349 32.600 -0.011 0.000 1.689 308 M HN 0.279 nan 8.290 nan 0.000 0.445 309 V N 4.438 124.333 119.914 -0.032 0.000 2.789 309 V HA 0.553 4.673 4.120 0.001 0.000 0.311 309 V C -0.372 175.702 176.094 -0.034 0.000 1.073 309 V CA -0.941 61.333 62.300 -0.043 0.000 0.921 309 V CB 2.271 34.061 31.823 -0.054 0.000 1.009 309 V HN 0.854 nan 8.190 nan 0.000 0.426 310 R N 2.079 122.559 120.500 -0.035 0.000 2.389 310 R HA 0.442 4.782 4.340 0.001 0.000 0.295 310 R C 1.310 177.590 176.300 -0.033 0.000 1.075 310 R CA 0.269 56.351 56.100 -0.029 0.000 1.005 310 R CB 1.099 31.383 30.300 -0.026 0.000 0.987 310 R HN 0.927 nan 8.270 nan 0.000 0.452 311 A N 3.639 126.440 122.820 -0.031 0.000 1.917 311 A HA -0.229 4.092 4.320 0.001 0.000 0.219 311 A C 1.431 178.991 177.584 -0.041 0.000 1.182 311 A CA 1.611 53.627 52.037 -0.036 0.000 0.633 311 A CB -0.236 18.744 19.000 -0.033 0.000 0.819 311 A HN 0.775 nan 8.150 nan 0.000 0.448 312 D N -0.575 119.803 120.400 -0.036 0.000 2.182 312 D HA -0.149 4.491 4.640 0.001 0.000 0.201 312 D C 1.831 178.108 176.300 -0.038 0.000 0.986 312 D CA 1.445 55.423 54.000 -0.036 0.000 0.847 312 D CB -0.222 40.561 40.800 -0.029 0.000 0.942 312 D HN 0.391 nan 8.370 nan 0.000 0.467 313 L N 1.312 122.513 121.223 -0.037 0.000 1.976 313 L HA -0.158 4.182 4.340 0.001 0.000 0.209 313 L C 2.318 179.162 176.870 -0.043 0.000 1.071 313 L CA 1.412 56.229 54.840 -0.037 0.000 0.746 313 L CB -0.659 41.376 42.059 -0.040 0.000 0.890 313 L HN -0.042 nan 8.230 nan 0.000 0.432 314 I N -0.024 120.517 120.570 -0.048 0.000 2.145 314 I HA -0.397 3.773 4.170 0.001 0.000 0.244 314 I C 2.279 178.358 176.117 -0.064 0.000 1.075 314 I CA 1.619 62.887 61.300 -0.053 0.000 1.332 314 I CB -0.755 37.213 38.000 -0.054 0.000 1.033 314 I HN 0.438 nan 8.210 nan 0.000 0.410 315 N N 1.072 119.729 118.700 -0.071 0.000 2.025 315 N HA -0.227 4.513 4.740 0.001 0.000 0.194 315 N C 1.830 177.302 175.510 -0.063 0.000 1.044 315 N CA 1.394 54.395 53.050 -0.082 0.000 0.851 315 N CB -0.438 38.003 38.487 -0.077 0.000 1.036 315 N HN 0.335 nan 8.380 nan 0.000 0.422 316 K N 0.869 121.240 120.400 -0.049 0.000 2.281 316 K HA -0.105 4.215 4.320 0.001 0.000 0.203 316 K C 1.449 178.026 176.600 -0.037 0.000 1.046 316 K CA 1.051 57.315 56.287 -0.039 0.000 0.938 316 K CB 0.239 32.720 32.500 -0.031 0.000 0.737 316 K HN -0.004 nan 8.250 nan 0.000 0.458 317 K N -0.070 120.305 120.400 -0.041 0.000 2.168 317 K HA 0.016 4.336 4.320 0.001 0.000 0.201 317 K C 2.041 178.612 176.600 -0.048 0.000 1.049 317 K CA 0.576 56.840 56.287 -0.038 0.000 0.974 317 K CB -0.048 32.432 32.500 -0.033 0.000 0.792 317 K HN -0.022 nan 8.250 nan 0.000 0.463 318 V N 0.048 119.929 119.914 -0.055 0.000 2.379 318 V HA -0.046 4.075 4.120 0.001 0.000 0.245 318 V C 1.274 177.331 176.094 -0.062 0.000 1.044 318 V CA 1.697 63.959 62.300 -0.063 0.000 1.036 318 V CB -0.462 31.325 31.823 -0.059 0.000 0.664 318 V HN 0.621 nan 8.190 nan 0.000 0.453 319 G N 0.701 109.468 108.800 -0.056 0.000 2.181 319 G HA2 -0.131 3.829 3.960 0.001 0.000 0.152 319 G HA3 -0.131 3.829 3.960 0.001 0.000 0.152 319 G C -0.152 174.727 174.900 -0.036 0.000 1.026 319 G CA 0.002 45.077 45.100 -0.041 0.000 0.699 319 G HN 0.707 nan 8.290 nan 0.000 0.497 320 I N -3.669 116.855 120.570 -0.078 0.000 2.934 320 I HA 0.867 5.038 4.170 0.001 0.000 0.306 320 I C -0.130 175.911 176.117 -0.128 0.000 1.110 320 I CA -1.952 59.275 61.300 -0.122 0.000 1.019 320 I CB 1.980 39.791 38.000 -0.314 0.000 1.227 320 I HN -0.081 nan 8.210 nan 0.000 0.434 321 R N 2.432 122.862 120.500 -0.117 0.000 2.748 321 R HA 0.343 4.683 4.340 0.001 0.000 0.283 321 R C -0.917 175.324 176.300 -0.097 0.000 1.507 321 R CA -0.502 55.545 56.100 -0.089 0.000 1.666 321 R CB 0.709 30.980 30.300 -0.048 0.000 1.237 321 R HN 0.577 nan 8.270 nan 0.000 0.633 322 E N 1.093 121.203 120.200 -0.149 0.000 2.283 322 E HA 0.114 4.465 4.350 0.001 0.000 0.267 322 E C 0.321 176.871 176.600 -0.083 0.000 1.045 322 E CA -0.259 56.064 56.400 -0.128 0.000 0.884 322 E CB 1.510 31.084 29.700 -0.210 0.000 1.106 322 E HN 0.239 nan 8.360 nan 0.000 0.408 323 T N -1.201 113.320 114.554 -0.054 0.000 2.913 323 T HA 0.141 4.492 4.350 0.001 0.000 0.297 323 T C -1.509 173.168 174.700 -0.039 0.000 1.029 323 T CA -1.483 60.594 62.100 -0.039 0.000 1.104 323 T CB 1.119 69.973 68.868 -0.024 0.000 0.964 323 T HN 0.130 nan 8.240 nan 0.000 0.532 324 P HA -0.204 nan 4.420 nan 0.000 0.216 324 P C 1.260 178.547 177.300 -0.021 0.000 1.150 324 P CA 1.361 64.444 63.100 -0.028 0.000 0.843 324 P CB 0.169 31.855 31.700 -0.023 0.000 0.787 325 E N -0.211 119.978 120.200 -0.017 0.000 2.077 325 E HA -0.187 4.164 4.350 0.001 0.000 0.193 325 E C 1.858 178.451 176.600 -0.011 0.000 0.989 325 E CA 1.049 57.441 56.400 -0.012 0.000 0.800 325 E CB -0.223 29.471 29.700 -0.010 0.000 0.746 325 E HN 0.161 nan 8.360 nan 0.000 0.452 326 N N 0.431 119.122 118.700 -0.014 0.000 2.270 326 N HA -0.118 4.623 4.740 0.001 0.000 0.181 326 N C 1.862 177.365 175.510 -0.011 0.000 1.016 326 N CA 0.463 53.508 53.050 -0.009 0.000 0.870 326 N CB -0.204 38.278 38.487 -0.007 0.000 0.979 326 N HN 0.143 nan 8.380 nan 0.000 0.431 327 L N 1.646 122.852 121.223 -0.028 0.000 2.012 327 L HA -0.095 4.246 4.340 0.001 0.000 0.210 327 L C 2.348 179.213 176.870 -0.007 0.000 1.073 327 L CA 1.312 56.133 54.840 -0.032 0.000 0.748 327 L CB -1.103 40.929 42.059 -0.045 0.000 0.891 327 L HN 0.096 nan 8.230 nan 0.000 0.431 328 A N -0.923 121.893 122.820 -0.006 0.000 1.908 328 A HA -0.270 4.050 4.320 0.001 0.000 0.218 328 A C 2.328 179.918 177.584 0.010 0.000 1.181 328 A CA 1.981 54.019 52.037 0.003 0.000 0.627 328 A CB -0.474 18.526 19.000 -0.000 0.000 0.818 328 A HN 0.427 nan 8.150 nan 0.000 0.445 329 K N -0.475 119.929 120.400 0.006 0.000 2.032 329 K HA -0.120 4.201 4.320 0.001 0.000 0.209 329 K C 1.906 178.517 176.600 0.018 0.000 1.048 329 K CA 1.332 57.623 56.287 0.006 0.000 0.927 329 K CB -0.385 32.115 32.500 0.000 0.000 0.712 329 K HN 0.330 nan 8.250 nan 0.000 0.441 330 L N 1.112 122.354 121.223 0.032 0.000 1.956 330 L HA -0.228 4.112 4.340 0.001 0.000 0.216 330 L C 2.445 179.362 176.870 0.079 0.000 1.073 330 L CA 1.769 56.648 54.840 0.064 0.000 0.762 330 L CB -1.202 40.904 42.059 0.078 0.000 0.889 330 L HN 0.290 nan 8.230 nan 0.000 0.433 331 L N -0.734 120.527 121.223 0.063 0.000 2.089 331 L HA -0.289 4.051 4.340 0.001 0.000 0.213 331 L C 2.544 179.461 176.870 0.078 0.000 1.079 331 L CA 1.725 56.606 54.840 0.068 0.000 0.758 331 L CB -0.957 41.127 42.059 0.042 0.000 0.891 331 L HN 0.382 nan 8.230 nan 0.000 0.433 332 T N -0.701 113.886 114.554 0.055 0.000 2.674 332 T HA -0.202 4.148 4.350 0.001 0.000 0.265 332 T C 1.920 176.647 174.700 0.044 0.000 1.039 332 T CA 1.294 63.420 62.100 0.044 0.000 1.150 332 T CB -0.227 68.652 68.868 0.017 0.000 0.864 332 T HN 0.310 nan 8.240 nan 0.000 0.427 333 R N 0.203 120.731 120.500 0.047 0.000 2.261 333 R HA 0.008 4.349 4.340 0.001 0.000 0.236 333 R C 1.650 178.058 176.300 0.181 0.000 1.141 333 R CA 0.967 57.103 56.100 0.060 0.000 1.001 333 R CB -0.253 30.062 30.300 0.025 0.000 0.866 333 R HN 0.247 nan 8.270 nan 0.000 0.468 334 M N -1.282 118.442 119.600 0.206 0.000 2.505 334 M HA 0.087 4.567 4.480 0.001 0.000 0.230 334 M C -0.369 176.117 176.300 0.310 0.000 1.153 334 M CA 0.340 55.806 55.300 0.277 0.000 0.997 334 M CB -0.009 32.720 32.600 0.215 0.000 1.606 334 M HN 0.203 nan 8.290 nan 0.000 0.481 335 Y N -3.003 117.362 120.300 0.108 0.000 3.727 335 Y HA -0.295 4.255 4.550 0.001 0.000 0.381 335 Y C -0.104 175.822 175.900 0.044 0.000 1.312 335 Y CA 0.285 58.426 58.100 0.070 0.000 1.876 335 Y CB -1.160 37.339 38.460 0.064 0.000 0.856 335 Y HN 0.041 nan 8.280 nan 0.000 0.423 336 L N 2.950 124.291 121.223 0.197 0.000 2.415 336 L HA 0.090 4.431 4.340 0.001 0.000 0.269 336 L C 0.656 177.580 176.870 0.090 0.000 1.244 336 L CA 0.308 55.217 54.840 0.116 0.000 1.113 336 L CB 0.127 42.233 42.059 0.078 0.000 1.352 336 L HN 0.042 nan 8.230 nan 0.000 0.433 337 K N 2.224 122.682 120.400 0.097 0.000 2.402 337 K HA 0.076 4.396 4.320 0.001 0.000 0.279 337 K C -0.240 176.391 176.600 0.052 0.000 1.082 337 K CA 0.132 56.461 56.287 0.069 0.000 1.080 337 K CB 0.347 32.894 32.500 0.078 0.000 0.899 337 K HN 0.465 nan 8.250 nan 0.000 0.469 338 S N 3.256 118.978 115.700 0.036 0.000 2.621 338 S HA 0.366 4.836 4.470 0.001 0.000 0.302 338 S C -0.986 173.623 174.600 0.015 0.000 1.093 338 S CA -0.844 57.370 58.200 0.025 0.000 1.017 338 S CB 1.909 65.121 63.200 0.020 0.000 1.077 338 S HN 0.681 nan 8.310 nan 0.000 0.517 339 E N 1.171 121.378 120.200 0.010 0.000 2.321 339 E HA 0.390 4.740 4.350 0.001 0.000 0.281 339 E C -1.556 175.044 176.600 0.001 0.000 0.910 339 E CA -0.545 55.858 56.400 0.005 0.000 0.770 339 E CB 1.379 31.082 29.700 0.006 0.000 1.225 339 E HN 0.367 nan 8.360 nan 0.000 0.417 340 V N 4.933 124.845 119.914 -0.003 0.000 2.811 340 V HA 0.133 4.253 4.120 0.001 0.000 0.302 340 V C 0.614 176.705 176.094 -0.005 0.000 1.063 340 V CA 0.220 62.517 62.300 -0.006 0.000 1.088 340 V CB 0.914 32.732 31.823 -0.008 0.000 0.982 340 V HN 0.626 nan 8.190 nan 0.000 0.485 341 I N 4.629 125.195 120.570 -0.006 0.000 2.317 341 I HA 0.351 4.522 4.170 0.001 0.000 0.286 341 I C 1.397 177.510 176.117 -0.006 0.000 1.119 341 I CA 0.554 61.851 61.300 -0.005 0.000 1.228 341 I CB -0.054 37.944 38.000 -0.005 0.000 1.476 341 I HN 0.954 nan 8.210 nan 0.000 0.514 342 G N 4.745 113.542 108.800 -0.006 0.000 4.982 342 G HA2 -0.412 3.548 3.960 0.001 0.000 0.351 342 G HA3 -0.412 3.548 3.960 0.001 0.000 0.351 342 G C 0.790 175.686 174.900 -0.007 0.000 1.462 342 G CA 0.632 45.729 45.100 -0.006 0.000 1.248 342 G HN 0.731 nan 8.290 nan 0.000 0.842 343 D N 3.076 123.472 120.400 -0.007 0.000 2.490 343 D HA 0.286 4.927 4.640 0.001 0.000 0.255 343 D C 1.583 177.877 176.300 -0.010 0.000 1.248 343 D CA 1.060 55.056 54.000 -0.008 0.000 0.887 343 D CB -1.079 39.716 40.800 -0.008 0.000 0.978 343 D HN 1.690 nan 8.370 nan 0.000 0.491 344 G N 1.334 110.128 108.800 -0.010 0.000 2.485 344 G HA2 -0.411 3.549 3.960 0.001 0.000 0.315 344 G HA3 -0.411 3.549 3.960 0.001 0.000 0.315 344 G C 0.681 175.572 174.900 -0.014 0.000 0.914 344 G CA 1.150 46.243 45.100 -0.012 0.000 0.889 344 G HN 0.610 nan 8.290 nan 0.000 0.512 345 N N -1.581 117.111 118.700 -0.014 0.000 2.607 345 N HA 0.053 4.793 4.740 0.001 0.000 0.207 345 N C 0.840 176.340 175.510 -0.017 0.000 1.040 345 N CA 0.018 53.059 53.050 -0.016 0.000 0.947 345 N CB 0.470 38.949 38.487 -0.014 0.000 1.293 345 N HN 0.485 nan 8.380 nan 0.000 0.446 346 Q N 0.749 120.541 119.800 -0.015 0.000 2.222 346 Q HA 0.495 4.836 4.340 0.001 0.000 0.252 346 Q C -0.947 175.045 176.000 -0.013 0.000 0.926 346 Q CA -0.069 55.725 55.803 -0.015 0.000 0.899 346 Q CB 2.684 31.414 28.738 -0.013 0.000 1.250 346 Q HN 0.292 nan 8.270 nan 0.000 0.441 347 I N 0.971 121.533 120.570 -0.014 0.000 2.406 347 I HA 0.271 4.441 4.170 0.001 0.000 0.290 347 I C -0.273 175.840 176.117 -0.007 0.000 0.999 347 I CA -0.676 60.617 61.300 -0.010 0.000 1.124 347 I CB 1.738 39.730 38.000 -0.012 0.000 1.289 347 I HN 0.577 nan 8.210 nan 0.000 0.441 348 E N 7.109 127.309 120.200 -0.001 0.000 2.167 348 E HA 0.469 4.819 4.350 0.001 0.000 0.284 348 E C -1.135 175.472 176.600 0.012 0.000 1.016 348 E CA -0.487 55.916 56.400 0.005 0.000 0.817 348 E CB 1.017 30.722 29.700 0.008 0.000 1.080 348 E HN 0.476 nan 8.360 nan 0.000 0.397 349 I N 3.747 124.325 120.570 0.013 0.000 2.404 349 I HA 0.233 4.404 4.170 0.001 0.000 0.293 349 I C 0.016 176.154 176.117 0.036 0.000 0.992 349 I CA -0.617 60.696 61.300 0.022 0.000 1.149 349 I CB 1.767 39.773 38.000 0.010 0.000 1.315 349 I HN 0.518 nan 8.210 nan 0.000 0.446 350 E N 6.099 126.334 120.200 0.057 0.000 2.081 350 E HA 0.363 4.713 4.350 0.001 0.000 0.276 350 E C -1.114 175.525 176.600 0.065 0.000 0.950 350 E CA -0.899 55.554 56.400 0.089 0.000 0.776 350 E CB 0.995 30.780 29.700 0.141 0.000 1.094 350 E HN 0.381 nan 8.360 nan 0.000 0.402 351 I N 7.872 128.456 120.570 0.022 0.000 2.347 351 I HA 0.173 4.344 4.170 0.001 0.000 0.294 351 I C -2.204 173.804 176.117 -0.182 0.000 1.090 351 I CA -2.212 59.061 61.300 -0.045 0.000 1.314 351 I CB 0.599 38.573 38.000 -0.044 0.000 1.423 351 I HN 0.389 nan 8.210 nan 0.000 0.503 352 P HA 0.095 nan 4.420 nan 0.000 0.269 352 P C -1.876 175.149 177.300 -0.458 0.000 1.215 352 P CA -1.102 61.687 63.100 -0.519 0.000 0.780 352 P CB 0.099 31.674 31.700 -0.209 0.000 0.898 353 P HA -0.134 nan 4.420 nan 0.000 0.230 353 P C 0.996 178.143 177.300 -0.255 0.000 1.158 353 P CA 1.348 64.269 63.100 -0.299 0.000 0.769 353 P CB -0.422 31.151 31.700 -0.213 0.000 0.807 354 T N -2.601 111.755 114.554 -0.329 0.000 2.770 354 T HA -0.016 4.334 4.350 0.001 0.000 0.263 354 T C 1.452 175.996 174.700 -0.261 0.000 1.039 354 T CA 0.478 62.371 62.100 -0.345 0.000 1.142 354 T CB -0.523 68.028 68.868 -0.528 0.000 0.868 354 T HN -0.055 nan 8.240 nan 0.000 0.435 355 R N 2.043 122.380 120.500 -0.273 0.000 2.891 355 R HA 0.531 4.872 4.340 0.001 0.000 0.248 355 R C 0.656 176.886 176.300 -0.117 0.000 1.439 355 R CA 0.143 56.131 56.100 -0.186 0.000 1.288 355 R CB 0.187 30.392 30.300 -0.159 0.000 1.212 355 R HN 0.529 nan 8.270 nan 0.000 0.605 356 A N 2.060 124.842 122.820 -0.062 0.000 2.251 356 A HA -0.040 4.281 4.320 0.001 0.000 0.209 356 A C 1.320 178.901 177.584 -0.006 0.000 1.187 356 A CA 0.215 52.244 52.037 -0.013 0.000 0.823 356 A CB 0.039 19.069 19.000 0.050 0.000 0.846 356 A HN 0.610 nan 8.150 nan 0.000 0.486 357 D N -0.290 120.073 120.400 -0.061 0.000 2.249 357 D HA -0.042 4.599 4.640 0.001 0.000 0.205 357 D C 0.142 176.412 176.300 -0.051 0.000 0.962 357 D CA 0.135 54.086 54.000 -0.081 0.000 0.860 357 D CB -0.164 40.537 40.800 -0.166 0.000 0.955 357 D HN 0.332 nan 8.370 nan 0.000 0.505 358 I N 2.443 122.984 120.570 -0.049 0.000 2.691 358 I HA -0.067 4.103 4.170 0.001 0.000 0.288 358 I C 1.425 177.537 176.117 -0.009 0.000 1.143 358 I CA 0.284 61.566 61.300 -0.031 0.000 1.364 358 I CB 0.186 38.164 38.000 -0.037 0.000 1.435 358 I HN 0.158 nan 8.210 nan 0.000 0.551 359 I N 2.295 122.876 120.570 0.017 0.000 4.403 359 I HA 0.379 4.549 4.170 0.001 0.000 0.331 359 I C 0.172 176.348 176.117 0.099 0.000 1.327 359 I CA -0.142 61.182 61.300 0.040 0.000 1.175 359 I CB 0.344 38.365 38.000 0.035 0.000 1.165 359 I HN 0.446 nan 8.210 nan 0.000 0.413 360 H N 0.584 119.641 119.070 -0.021 0.000 2.928 360 H HA 0.718 5.274 4.556 0.001 0.000 0.371 360 H C 0.804 176.121 175.328 -0.018 0.000 1.186 360 H CA -0.023 56.014 56.048 -0.019 0.000 1.134 360 H CB 2.230 31.980 29.762 -0.020 0.000 1.824 360 H HN -0.015 nan 8.280 nan 0.000 0.554 361 A N 1.233 123.488 122.820 -0.941 0.000 1.917 361 A HA -0.216 4.105 4.320 0.001 0.000 0.219 361 A C 2.407 179.766 177.584 -0.375 0.000 1.182 361 A CA 2.064 53.747 52.037 -0.590 0.000 0.633 361 A CB -1.321 17.322 19.000 -0.594 0.000 0.819 361 A HN 0.752 nan 8.150 nan 0.000 0.448 362 C N -0.455 118.629 119.300 -0.360 0.000 2.410 362 C HA -0.103 4.357 4.460 0.001 0.000 0.281 362 C C 2.255 177.240 174.990 -0.008 0.000 1.318 362 C CA 1.067 60.071 59.018 -0.024 0.000 1.776 362 C CB -1.276 26.579 27.740 0.191 0.000 1.942 362 C HN 0.580 nan 8.230 nan 0.000 0.508 363 D N 0.731 121.127 120.400 -0.007 0.000 2.218 363 D HA -0.081 4.559 4.640 0.001 0.000 0.204 363 D C 1.975 178.260 176.300 -0.026 0.000 0.976 363 D CA 1.013 55.007 54.000 -0.010 0.000 0.853 363 D CB -0.113 40.683 40.800 -0.007 0.000 0.939 363 D HN 0.391 nan 8.370 nan 0.000 0.481 364 I N 0.760 121.303 120.570 -0.044 0.000 2.286 364 I HA -0.166 4.004 4.170 0.001 0.000 0.245 364 I C 2.583 178.691 176.117 -0.015 0.000 1.104 364 I CA 0.566 61.848 61.300 -0.030 0.000 1.397 364 I CB -1.182 36.791 38.000 -0.045 0.000 1.072 364 I HN -0.098 nan 8.210 nan 0.000 0.417 365 V N 1.099 120.998 119.914 -0.025 0.000 2.282 365 V HA -0.313 3.808 4.120 0.001 0.000 0.249 365 V C 2.521 178.625 176.094 0.017 0.000 1.057 365 V CA 2.114 64.407 62.300 -0.012 0.000 1.032 365 V CB -0.928 30.881 31.823 -0.022 0.000 0.645 365 V HN 0.453 nan 8.190 nan 0.000 0.447 366 E N 0.527 120.737 120.200 0.016 0.000 2.019 366 E HA -0.333 4.018 4.350 0.001 0.000 0.208 366 E C 1.991 178.622 176.600 0.051 0.000 1.030 366 E CA 2.144 58.567 56.400 0.038 0.000 0.856 366 E CB -0.250 29.451 29.700 0.002 0.000 0.781 366 E HN 0.604 nan 8.360 nan 0.000 0.471 367 D N 0.024 120.432 120.400 0.013 0.000 2.149 367 D HA -0.222 4.419 4.640 0.001 0.000 0.194 367 D C 1.781 178.131 176.300 0.083 0.000 1.001 367 D CA 1.632 55.644 54.000 0.021 0.000 0.849 367 D CB -0.546 40.266 40.800 0.020 0.000 0.939 367 D HN 0.369 nan 8.370 nan 0.000 0.449 368 A N 0.842 123.707 122.820 0.075 0.000 1.873 368 A HA -0.132 4.188 4.320 0.001 0.000 0.218 368 A C 2.333 180.010 177.584 0.154 0.000 1.193 368 A CA 2.806 54.896 52.037 0.089 0.000 0.629 368 A CB -1.013 18.008 19.000 0.036 0.000 0.826 368 A HN 0.266 nan 8.150 nan 0.000 0.447 369 A N -0.195 122.725 122.820 0.165 0.000 1.877 369 A HA -0.085 4.235 4.320 0.001 0.000 0.216 369 A C 2.126 179.942 177.584 0.385 0.000 1.186 369 A CA 1.550 53.752 52.037 0.276 0.000 0.620 369 A CB -0.679 18.449 19.000 0.213 0.000 0.822 369 A HN 0.519 nan 8.150 nan 0.000 0.443 370 I N -0.167 120.568 120.570 0.276 0.000 2.264 370 I HA -0.306 3.864 4.170 0.001 0.000 0.248 370 I C 2.896 179.154 176.117 0.234 0.000 1.111 370 I CA 1.095 62.442 61.300 0.078 0.000 1.382 370 I CB -0.331 37.579 38.000 -0.150 0.000 1.060 370 I HN 0.371 nan 8.210 nan 0.000 0.418 371 A N -0.059 122.952 122.820 0.318 0.000 1.930 371 A HA -0.252 4.068 4.320 0.001 0.000 0.217 371 A C 2.255 180.012 177.584 0.288 0.000 1.175 371 A CA 1.240 53.532 52.037 0.426 0.000 0.627 371 A CB -0.858 18.323 19.000 0.301 0.000 0.815 371 A HN 0.504 nan 8.150 nan 0.000 0.443 372 Y N 0.526 120.912 120.300 0.142 0.000 2.439 372 Y HA 0.275 4.826 4.550 0.000 0.000 0.292 372 Y C 1.111 177.083 175.900 0.119 0.000 1.130 372 Y CA 0.526 58.684 58.100 0.098 0.000 1.254 372 Y CB -0.417 38.093 38.460 0.084 0.000 1.000 372 Y HN 0.574 nan 8.280 nan 0.000 0.554 373 G N -0.113 108.763 108.800 0.126 0.000 3.292 373 G HA2 -0.280 3.681 3.960 0.001 0.000 0.636 373 G HA3 -0.280 3.681 3.960 0.001 0.000 0.636 373 G C 0.293 175.277 174.900 0.140 0.000 1.069 373 G CA -0.101 45.034 45.100 0.058 0.000 0.890 373 G HN 0.512 nan 8.290 nan 0.000 0.427 374 Y N 1.050 121.352 120.300 0.004 0.000 2.132 374 Y HA -0.270 4.281 4.550 0.000 0.000 0.280 374 Y C 2.623 178.529 175.900 0.009 0.000 1.193 374 Y CA 1.506 59.614 58.100 0.014 0.000 1.157 374 Y CB 0.012 38.464 38.460 -0.013 0.000 0.966 374 Y HN 0.611 nan 8.280 nan 0.000 0.511 375 N N 0.464 119.273 118.700 0.182 0.000 2.515 375 N HA -0.087 4.653 4.740 0.001 0.000 0.191 375 N C 0.296 175.818 175.510 0.020 0.000 1.182 375 N CA 0.482 53.592 53.050 0.101 0.000 0.879 375 N CB -0.178 38.376 38.487 0.112 0.000 0.984 375 N HN 0.507 nan 8.380 nan 0.000 0.453 376 N N 0.418 119.090 118.700 -0.047 0.000 2.205 376 N HA 0.185 4.925 4.740 0.001 0.000 0.201 376 N C 0.158 175.671 175.510 0.005 0.000 1.128 376 N CA -0.026 52.941 53.050 -0.139 0.000 0.867 376 N CB 1.341 39.541 38.487 -0.479 0.000 0.996 376 N HN 0.218 nan 8.380 nan 0.000 0.503 377 I N 1.608 122.231 120.570 0.089 0.000 2.371 377 I HA 0.056 4.227 4.170 0.001 0.000 0.290 377 I C 0.878 177.042 176.117 0.078 0.000 1.028 377 I CA -0.355 61.038 61.300 0.156 0.000 1.345 377 I CB 1.003 39.069 38.000 0.110 0.000 1.407 377 I HN -0.088 nan 8.210 nan 0.000 0.501 378 Q N 7.354 127.199 119.800 0.076 0.000 2.313 378 Q HA 0.216 4.556 4.340 0.001 0.000 0.266 378 Q C -0.709 175.305 176.000 0.023 0.000 0.989 378 Q CA -0.359 55.469 55.803 0.043 0.000 0.890 378 Q CB 0.825 29.587 28.738 0.040 0.000 1.200 378 Q HN 0.562 nan 8.270 nan 0.000 0.396 379 M N 3.831 123.441 119.600 0.016 0.000 2.184 379 M HA 0.151 4.631 4.480 0.001 0.000 0.351 379 M C 0.089 176.391 176.300 0.004 0.000 1.395 379 M CA 0.017 55.321 55.300 0.006 0.000 1.117 379 M CB 0.631 33.236 32.600 0.007 0.000 1.708 379 M HN 0.659 nan 8.290 nan 0.000 0.468 380 T N 1.297 115.850 114.554 -0.001 0.000 2.924 380 T HA 0.726 5.076 4.350 0.001 0.000 0.291 380 T C -0.629 174.069 174.700 -0.003 0.000 1.045 380 T CA -1.038 61.061 62.100 -0.001 0.000 1.015 380 T CB 1.826 70.692 68.868 -0.003 0.000 1.103 380 T HN 0.652 nan 8.240 nan 0.000 0.496 381 L N 2.833 124.056 121.223 0.001 0.000 2.319 381 L HA 0.444 4.784 4.340 0.001 0.000 0.281 381 L C -1.967 174.905 176.870 0.004 0.000 1.005 381 L CA -2.463 52.379 54.840 0.002 0.000 0.828 381 L CB 1.970 44.032 42.059 0.007 0.000 1.227 381 L HN 0.671 nan 8.230 nan 0.000 0.415 382 P HA -0.034 nan 4.420 nan 0.000 0.258 382 P C -0.946 176.362 177.300 0.013 0.000 1.172 382 P CA -0.078 63.023 63.100 0.002 0.000 0.762 382 P CB 0.487 32.185 31.700 -0.003 0.000 0.764 383 K N 2.911 123.320 120.400 0.016 0.000 2.535 383 K HA 0.221 4.541 4.320 0.001 0.000 0.242 383 K C -0.099 176.526 176.600 0.041 0.000 1.210 383 K CA -0.052 56.252 56.287 0.029 0.000 1.178 383 K CB -0.005 32.507 32.500 0.021 0.000 1.778 383 K HN 0.460 nan 8.250 nan 0.000 0.372 384 T N -0.957 113.626 114.554 0.048 0.000 2.847 384 T HA 0.193 4.543 4.350 0.001 0.000 0.291 384 T C -0.515 174.241 174.700 0.093 0.000 0.998 384 T CA -0.756 61.380 62.100 0.059 0.000 0.967 384 T CB 0.815 69.697 68.868 0.024 0.000 0.954 384 T HN 0.200 nan 8.240 nan 0.000 0.441 385 Y N 3.868 124.163 120.300 -0.008 0.000 2.442 385 Y HA 0.433 4.983 4.550 0.001 0.000 0.330 385 Y C 0.374 176.269 175.900 -0.008 0.000 1.129 385 Y CA -0.026 58.070 58.100 -0.008 0.000 1.365 385 Y CB 0.435 38.891 38.460 -0.007 0.000 1.233 385 Y HN 0.873 nan 8.280 nan 0.000 0.529 386 T N 5.890 120.071 114.554 -0.621 0.000 2.971 386 T HA 0.510 4.860 4.350 0.001 0.000 0.304 386 T C -0.975 173.346 174.700 -0.632 0.000 1.038 386 T CA -0.976 60.834 62.100 -0.484 0.000 1.007 386 T CB 1.090 69.823 68.868 -0.226 0.000 1.055 386 T HN 0.442 nan 8.240 nan 0.000 0.451 387 I N 2.497 122.791 120.570 -0.460 0.000 2.395 387 I HA 0.493 4.663 4.170 0.001 0.000 0.289 387 I C 1.081 177.096 176.117 -0.169 0.000 1.023 387 I CA -0.617 60.502 61.300 -0.302 0.000 1.350 387 I CB 0.663 38.570 38.000 -0.155 0.000 1.409 387 I HN 0.983 nan 8.210 nan 0.000 0.507 388 A N 7.577 130.324 122.820 -0.123 0.000 2.351 388 A HA 0.518 4.839 4.320 0.001 0.000 0.257 388 A C -0.012 177.547 177.584 -0.042 0.000 1.087 388 A CA -0.431 51.562 52.037 -0.073 0.000 0.798 388 A CB 0.338 19.307 19.000 -0.051 0.000 1.033 388 A HN 0.818 nan 8.150 nan 0.000 0.488 389 N N 0.927 119.611 118.700 -0.028 0.000 2.336 389 N HA 0.246 4.986 4.740 0.001 0.000 0.290 389 N C -1.196 174.325 175.510 0.019 0.000 1.058 389 N CA -0.412 52.634 53.050 -0.006 0.000 0.865 389 N CB 1.942 40.421 38.487 -0.014 0.000 1.581 389 N HN 0.770 nan 8.380 nan 0.000 0.480 390 Q N 0.437 120.263 119.800 0.043 0.000 2.317 390 Q HA 0.347 4.687 4.340 0.001 0.000 0.229 390 Q C -0.443 175.651 176.000 0.157 0.000 0.984 390 Q CA -0.362 55.489 55.803 0.081 0.000 0.911 390 Q CB 1.771 30.547 28.738 0.063 0.000 1.217 390 Q HN 0.529 nan 8.270 nan 0.000 0.501 391 F N 2.010 121.950 119.950 -0.017 0.000 2.413 391 F HA 0.166 4.694 4.527 0.000 0.000 0.359 391 F C -1.800 173.992 175.800 -0.014 0.000 1.122 391 F CA -2.531 55.457 58.000 -0.019 0.000 1.160 391 F CB 0.987 39.974 39.000 -0.023 0.000 1.146 391 F HN 0.415 nan 8.300 nan 0.000 0.514 392 P HA -0.345 nan 4.420 nan 0.000 0.227 392 P C 1.964 179.201 177.300 -0.106 0.000 1.141 392 P CA 1.923 65.102 63.100 0.131 0.000 0.964 392 P CB 0.106 31.930 31.700 0.207 0.000 0.784 393 L N -1.063 119.903 121.223 -0.428 0.000 1.956 393 L HA -0.253 4.088 4.340 0.001 0.000 0.216 393 L C 2.177 178.825 176.870 -0.370 0.000 1.073 393 L CA 1.955 56.495 54.840 -0.499 0.000 0.762 393 L CB -0.816 40.722 42.059 -0.868 0.000 0.889 393 L HN 0.071 nan 8.230 nan 0.000 0.433 394 N N -0.141 118.284 118.700 -0.459 0.000 2.205 394 N HA -0.269 4.472 4.740 0.001 0.000 0.186 394 N C 1.728 177.177 175.510 -0.101 0.000 1.015 394 N CA 1.434 54.353 53.050 -0.218 0.000 0.862 394 N CB -0.160 38.241 38.487 -0.143 0.000 0.986 394 N HN 0.393 nan 8.380 nan 0.000 0.429 395 K N 1.007 121.364 120.400 -0.072 0.000 2.002 395 K HA -0.130 4.191 4.320 0.001 0.000 0.209 395 K C 2.152 178.736 176.600 -0.027 0.000 1.048 395 K CA 0.790 57.065 56.287 -0.020 0.000 0.930 395 K CB -0.221 32.280 32.500 0.003 0.000 0.714 395 K HN -0.016 nan 8.250 nan 0.000 0.438 396 L N 1.534 122.728 121.223 -0.048 0.000 1.990 396 L HA -0.201 4.140 4.340 0.001 0.000 0.213 396 L C 2.001 178.843 176.870 -0.048 0.000 1.072 396 L CA 2.231 57.045 54.840 -0.043 0.000 0.755 396 L CB -1.108 40.922 42.059 -0.048 0.000 0.889 396 L HN 0.250 nan 8.230 nan 0.000 0.432 397 T N -0.614 113.901 114.554 -0.067 0.000 2.635 397 T HA -0.283 4.068 4.350 0.001 0.000 0.267 397 T C 1.756 176.439 174.700 -0.028 0.000 1.040 397 T CA 1.786 63.854 62.100 -0.054 0.000 1.156 397 T CB -0.394 68.431 68.868 -0.071 0.000 0.863 397 T HN 0.408 nan 8.240 nan 0.000 0.430 398 E N 0.681 120.871 120.200 -0.017 0.000 2.171 398 E HA -0.097 4.253 4.350 0.001 0.000 0.197 398 E C 1.969 178.616 176.600 0.079 0.000 0.997 398 E CA 0.989 57.400 56.400 0.018 0.000 0.810 398 E CB -0.459 29.268 29.700 0.045 0.000 0.738 398 E HN 0.494 nan 8.360 nan 0.000 0.467 399 L N -0.648 120.607 121.223 0.053 0.000 2.049 399 L HA -0.100 4.241 4.340 0.001 0.000 0.203 399 L C 2.443 179.328 176.870 0.024 0.000 1.074 399 L CA 0.777 55.657 54.840 0.067 0.000 0.749 399 L CB -0.461 41.606 42.059 0.013 0.000 0.907 399 L HN 0.177 nan 8.230 nan 0.000 0.439 400 L N -0.507 120.692 121.223 -0.040 0.000 2.013 400 L HA -0.256 4.085 4.340 0.001 0.000 0.212 400 L C 2.921 179.718 176.870 -0.123 0.000 1.073 400 L CA 1.348 56.125 54.840 -0.106 0.000 0.753 400 L CB -0.689 41.293 42.059 -0.127 0.000 0.890 400 L HN 0.257 nan 8.230 nan 0.000 0.432 401 R N -0.785 119.682 120.500 -0.056 0.000 2.112 401 R HA -0.213 4.127 4.340 0.001 0.000 0.242 401 R C 2.252 178.505 176.300 -0.079 0.000 1.137 401 R CA 1.652 57.747 56.100 -0.009 0.000 0.944 401 R CB -0.864 29.419 30.300 -0.029 0.000 0.857 401 R HN 0.496 nan 8.270 nan 0.000 0.435 402 H N 0.113 119.182 119.070 -0.001 0.000 2.457 402 H HA -0.078 4.478 4.556 0.001 0.000 0.297 402 H C 1.430 176.726 175.328 -0.052 0.000 1.092 402 H CA 1.147 57.191 56.048 -0.008 0.000 1.309 402 H CB 0.053 29.808 29.762 -0.011 0.000 1.382 402 H HN 0.293 nan 8.280 nan 0.000 0.535 403 D N -0.454 119.940 120.400 -0.010 0.000 2.301 403 D HA -0.049 4.591 4.640 0.001 0.000 0.206 403 D C 2.226 178.413 176.300 -0.188 0.000 0.979 403 D CA 0.058 54.009 54.000 -0.082 0.000 0.874 403 D CB 0.337 41.073 40.800 -0.106 0.000 0.968 403 D HN 0.181 nan 8.370 nan 0.000 0.510 404 M N 0.975 120.358 119.600 -0.361 0.000 2.117 404 M HA -0.086 4.394 4.480 0.001 0.000 0.262 404 M C 2.326 178.448 176.300 -0.296 0.000 1.065 404 M CA 0.748 55.658 55.300 -0.650 0.000 1.114 404 M CB -1.025 30.593 32.600 -1.637 0.000 1.361 404 M HN -0.072 nan 8.290 nan 0.000 0.408 405 A N 0.088 122.846 122.820 -0.103 0.000 1.902 405 A HA 0.008 4.328 4.320 0.001 0.000 0.217 405 A C 2.420 180.050 177.584 0.077 0.000 1.181 405 A CA 2.046 54.143 52.037 0.100 0.000 0.623 405 A CB -0.896 18.185 19.000 0.135 0.000 0.818 405 A HN 0.481 nan 8.150 nan 0.000 0.443 406 A N -0.198 122.642 122.820 0.032 0.000 1.933 406 A HA 0.213 4.533 4.320 0.001 0.000 0.218 406 A C 2.115 179.721 177.584 0.036 0.000 1.175 406 A CA 1.672 53.728 52.037 0.032 0.000 0.628 406 A CB -0.789 18.216 19.000 0.008 0.000 0.814 406 A HN 1.153 nan 8.150 nan 0.000 0.444 407 A N -1.250 121.578 122.820 0.013 0.000 2.346 407 A HA 0.427 4.747 4.320 0.001 0.000 0.242 407 A C 1.680 179.406 177.584 0.236 0.000 1.323 407 A CA 1.000 53.071 52.037 0.056 0.000 0.940 407 A CB -1.480 17.478 19.000 -0.070 0.000 0.943 407 A HN 1.871 nan 8.150 nan 0.000 0.501 408 G N -1.723 107.198 108.800 0.201 0.000 2.189 408 G HA2 -0.300 3.660 3.960 0.001 0.000 0.267 408 G HA3 -0.300 3.660 3.960 0.001 0.000 0.267 408 G C 0.026 175.089 174.900 0.271 0.000 0.975 408 G CA 0.571 45.798 45.100 0.211 0.000 0.644 408 G HN 0.361 nan 8.290 nan 0.000 0.537 409 F N 0.791 120.782 119.950 0.068 0.000 2.370 409 F HA 0.665 5.192 4.527 0.000 0.000 0.319 409 F C 1.047 177.013 175.800 0.276 0.000 1.129 409 F CA -0.218 57.882 58.000 0.167 0.000 1.109 409 F CB 1.452 40.566 39.000 0.189 0.000 1.262 409 F HN -0.082 nan 8.300 nan 0.000 0.534 410 T N 0.933 115.743 114.554 0.426 0.000 2.807 410 T HA 0.212 4.562 4.350 0.001 0.000 0.279 410 T C -0.700 173.992 174.700 -0.015 0.000 0.993 410 T CA -0.739 61.488 62.100 0.213 0.000 0.970 410 T CB 1.246 70.144 68.868 0.049 0.000 0.950 410 T HN 0.511 nan 8.240 nan 0.000 0.441 411 E N 1.923 121.954 120.200 -0.282 0.000 2.338 411 E HA 0.559 4.909 4.350 0.001 0.000 0.272 411 E C -0.372 175.988 176.600 -0.399 0.000 1.029 411 E CA -0.536 55.398 56.400 -0.776 0.000 0.872 411 E CB 0.652 29.949 29.700 -0.673 0.000 1.015 411 E HN 0.721 nan 8.360 nan 0.000 0.417 412 A N 4.228 126.814 122.820 -0.390 0.000 2.392 412 A HA 0.633 4.954 4.320 0.001 0.000 0.283 412 A C -0.873 176.589 177.584 -0.203 0.000 1.197 412 A CA -0.781 51.121 52.037 -0.225 0.000 0.895 412 A CB 1.097 19.997 19.000 -0.165 0.000 1.400 412 A HN 0.655 nan 8.150 nan 0.000 0.461 413 L N 1.076 122.203 121.223 -0.161 0.000 2.551 413 L HA 0.248 4.588 4.340 0.001 0.000 0.248 413 L C -0.339 176.414 176.870 -0.194 0.000 1.509 413 L CA -0.204 54.527 54.840 -0.181 0.000 0.842 413 L CB 0.722 42.662 42.059 -0.198 0.000 1.087 413 L HN 0.843 nan 8.230 nan 0.000 0.512 414 T N 0.504 114.989 114.554 -0.115 0.000 2.906 414 T HA 0.090 4.440 4.350 0.001 0.000 0.320 414 T C 0.057 174.715 174.700 -0.068 0.000 1.088 414 T CA 0.438 62.521 62.100 -0.028 0.000 1.120 414 T CB 0.320 69.198 68.868 0.017 0.000 1.000 414 T HN 0.023 nan 8.240 nan 0.000 0.550 415 F N 0.297 120.261 119.950 0.023 0.000 2.380 415 F HA 0.464 4.992 4.527 0.001 0.000 0.325 415 F C 1.317 177.145 175.800 0.046 0.000 1.136 415 F CA -0.738 57.288 58.000 0.043 0.000 1.171 415 F CB 0.629 39.676 39.000 0.079 0.000 1.230 415 F HN 0.647 nan 8.300 nan 0.000 0.554 416 A N 2.265 125.219 122.820 0.224 0.000 2.178 416 A HA 0.294 4.614 4.320 0.001 0.000 0.211 416 A C 0.348 178.026 177.584 0.156 0.000 1.157 416 A CA 0.410 52.531 52.037 0.140 0.000 0.780 416 A CB -0.407 18.640 19.000 0.079 0.000 0.828 416 A HN 0.539 nan 8.150 nan 0.000 0.476 417 L N -0.566 120.791 121.223 0.224 0.000 2.322 417 L HA 0.627 4.968 4.340 0.001 0.000 0.269 417 L C 0.027 177.030 176.870 0.221 0.000 1.012 417 L CA -0.813 54.154 54.840 0.211 0.000 0.815 417 L CB 1.912 44.110 42.059 0.232 0.000 1.295 417 L HN 0.569 nan 8.230 nan 0.000 0.438 418 C N -1.485 117.927 119.300 0.187 0.000 3.253 418 C HA 0.528 4.989 4.460 0.001 0.000 0.361 418 C C -0.308 174.742 174.990 0.100 0.000 1.498 418 C CA -0.927 58.165 59.018 0.124 0.000 1.163 418 C CB 1.080 28.889 27.740 0.115 0.000 1.687 418 C HN 0.830 nan 8.230 nan 0.000 0.430 419 S N 0.413 116.149 115.700 0.059 0.000 2.554 419 S HA 0.399 4.870 4.470 0.001 0.000 0.278 419 S C 0.636 175.275 174.600 0.065 0.000 1.242 419 S CA -0.204 58.025 58.200 0.048 0.000 1.051 419 S CB 1.202 64.403 63.200 0.002 0.000 0.986 419 S HN 0.897 nan 8.310 nan 0.000 0.502 420 Q N 1.711 121.559 119.800 0.080 0.000 2.082 420 Q HA -0.296 4.045 4.340 0.001 0.000 0.211 420 Q C 2.031 178.070 176.000 0.065 0.000 1.002 420 Q CA 2.264 58.122 55.803 0.092 0.000 0.868 420 Q CB -0.610 28.200 28.738 0.120 0.000 0.931 420 Q HN 1.036 nan 8.270 nan 0.000 0.414 421 E N 0.908 121.127 120.200 0.032 0.000 2.273 421 E HA -0.237 4.113 4.350 0.001 0.000 0.198 421 E C 1.085 177.687 176.600 0.002 0.000 1.002 421 E CA 1.388 57.787 56.400 -0.002 0.000 0.828 421 E CB -0.145 29.527 29.700 -0.047 0.000 0.747 421 E HN 0.336 nan 8.360 nan 0.000 0.491 422 D N 1.182 121.612 120.400 0.050 0.000 2.183 422 D HA -0.071 4.569 4.640 0.001 0.000 0.203 422 D C 1.721 178.154 176.300 0.223 0.000 0.969 422 D CA 1.247 55.340 54.000 0.155 0.000 0.842 422 D CB 0.112 41.014 40.800 0.171 0.000 0.957 422 D HN 0.502 nan 8.370 nan 0.000 0.484 423 I N -3.596 117.057 120.570 0.138 0.000 3.927 423 I HA 0.527 4.697 4.170 0.001 0.000 0.332 423 I C 0.674 176.848 176.117 0.096 0.000 1.485 423 I CA -0.416 60.956 61.300 0.120 0.000 1.131 423 I CB 1.093 39.146 38.000 0.087 0.000 1.092 423 I HN -0.164 nan 8.210 nan 0.000 0.410 424 A N 0.546 123.422 122.820 0.092 0.000 1.663 424 A HA 0.269 4.589 4.320 0.001 0.000 0.152 424 A C 1.100 178.722 177.584 0.064 0.000 1.634 424 A CA 0.540 52.622 52.037 0.074 0.000 1.780 424 A CB -0.591 18.449 19.000 0.067 0.000 1.649 424 A HN 0.202 nan 8.150 nan 0.000 1.147 425 D N 1.064 121.488 120.400 0.041 0.000 2.126 425 D HA -0.169 4.472 4.640 0.001 0.000 0.190 425 D C 1.474 177.781 176.300 0.012 0.000 1.001 425 D CA 1.890 55.901 54.000 0.019 0.000 0.841 425 D CB -0.202 40.595 40.800 -0.005 0.000 0.949 425 D HN 0.491 nan 8.370 nan 0.000 0.446 426 K N -0.312 120.076 120.400 -0.019 0.000 2.442 426 K HA 0.016 4.337 4.320 0.001 0.000 0.198 426 K C 1.237 177.920 176.600 0.137 0.000 1.042 426 K CA 0.454 56.706 56.287 -0.058 0.000 0.958 426 K CB 0.124 32.392 32.500 -0.387 0.000 0.766 426 K HN 0.249 nan 8.250 nan 0.000 0.474 427 L N -0.915 120.392 121.223 0.141 0.000 2.766 427 L HA 0.221 4.562 4.340 0.001 0.000 0.242 427 L C 0.785 177.717 176.870 0.103 0.000 1.136 427 L CA -0.078 54.848 54.840 0.144 0.000 0.933 427 L CB 0.760 42.897 42.059 0.130 0.000 1.241 427 L HN 0.270 nan 8.230 nan 0.000 0.522 428 G N 0.898 109.751 108.800 0.088 0.000 2.149 428 G HA2 -0.202 3.758 3.960 0.001 0.000 0.235 428 G HA3 -0.202 3.758 3.960 0.001 0.000 0.235 428 G C -0.203 174.732 174.900 0.058 0.000 1.018 428 G CA 0.110 45.253 45.100 0.072 0.000 0.728 428 G HN 0.116 nan 8.290 nan 0.000 0.508 429 V N -0.319 119.630 119.914 0.058 0.000 3.007 429 V HA 0.560 4.680 4.120 0.001 0.000 0.311 429 V C -0.320 175.803 176.094 0.048 0.000 1.120 429 V CA -1.250 61.081 62.300 0.052 0.000 0.980 429 V CB 2.077 33.935 31.823 0.057 0.000 1.033 429 V HN 0.288 nan 8.190 nan 0.000 0.429 430 D N 1.434 121.860 120.400 0.043 0.000 2.350 430 D HA 0.226 4.866 4.640 0.001 0.000 0.249 430 D C 0.895 177.228 176.300 0.056 0.000 1.119 430 D CA -0.263 53.763 54.000 0.044 0.000 0.886 430 D CB 1.664 42.486 40.800 0.037 0.000 1.195 430 D HN 0.405 nan 8.370 nan 0.000 0.437 431 I N 2.520 123.131 120.570 0.068 0.000 2.908 431 I HA -0.254 3.916 4.170 0.001 0.000 0.271 431 I C 2.218 178.402 176.117 0.112 0.000 1.275 431 I CA 0.805 62.165 61.300 0.100 0.000 1.446 431 I CB -0.812 37.271 38.000 0.139 0.000 1.092 431 I HN 0.289 nan 8.210 nan 0.000 0.482 432 S N -0.182 115.566 115.700 0.080 0.000 2.548 432 S HA 0.364 4.834 4.470 0.001 0.000 0.215 432 S C 1.501 176.135 174.600 0.057 0.000 0.976 432 S CA 0.201 58.445 58.200 0.074 0.000 0.908 432 S CB 0.046 63.278 63.200 0.052 0.000 0.781 432 S HN 0.357 nan 8.310 nan 0.000 0.519 433 A N 1.382 124.232 122.820 0.050 0.000 2.594 433 A HA 0.455 4.775 4.320 0.001 0.000 0.287 433 A C 1.468 179.071 177.584 0.033 0.000 1.227 433 A CA 0.243 52.303 52.037 0.038 0.000 0.952 433 A CB -0.361 18.659 19.000 0.034 0.000 1.161 433 A HN 0.536 nan 8.150 nan 0.000 0.524 434 T N -3.587 110.987 114.554 0.034 0.000 3.001 434 T HA 0.152 4.502 4.350 0.001 0.000 0.251 434 T C 0.879 175.580 174.700 0.003 0.000 1.040 434 T CA 0.456 62.569 62.100 0.021 0.000 0.985 434 T CB -0.076 68.807 68.868 0.025 0.000 1.011 434 T HN 0.287 nan 8.240 nan 0.000 0.509 435 K N 0.447 120.851 120.400 0.007 0.000 3.407 435 K HA -0.131 4.189 4.320 0.001 0.000 0.312 435 K C 0.601 177.186 176.600 -0.026 0.000 1.302 435 K CA 0.722 57.009 56.287 -0.001 0.000 0.931 435 K CB -2.586 29.908 32.500 -0.010 0.000 1.257 435 K HN 0.758 nan 8.250 nan 0.000 0.454 436 A N 0.936 123.720 122.820 -0.059 0.000 2.448 436 A HA 0.375 4.695 4.320 0.001 0.000 0.239 436 A C 0.668 178.109 177.584 -0.237 0.000 1.080 436 A CA -0.060 51.895 52.037 -0.137 0.000 0.779 436 A CB 0.561 19.457 19.000 -0.174 0.000 1.026 436 A HN 0.081 nan 8.150 nan 0.000 0.499 437 V N 3.100 122.884 119.914 -0.215 0.000 2.472 437 V HA 0.301 4.421 4.120 0.001 0.000 0.290 437 V C -0.134 175.798 176.094 -0.270 0.000 1.037 437 V CA -0.531 61.664 62.300 -0.174 0.000 0.908 437 V CB 1.201 32.994 31.823 -0.050 0.000 0.985 437 V HN 0.874 nan 8.190 nan 0.000 0.454 438 H N 4.040 123.132 119.070 0.036 0.000 2.467 438 H HA 0.476 5.032 4.556 0.001 0.000 0.326 438 H C -0.569 174.779 175.328 0.033 0.000 1.094 438 H CA -0.581 55.489 56.048 0.037 0.000 1.253 438 H CB 1.869 31.650 29.762 0.032 0.000 1.439 438 H HN 0.402 nan 8.280 nan 0.000 0.479 439 I N 1.556 122.218 120.570 0.153 0.000 2.474 439 I HA -0.024 4.147 4.170 0.001 0.000 0.287 439 I C 1.076 177.248 176.117 0.092 0.000 1.048 439 I CA 0.184 61.541 61.300 0.095 0.000 1.383 439 I CB 1.025 39.071 38.000 0.077 0.000 1.412 439 I HN 0.403 nan 8.210 nan 0.000 0.531 440 S N 4.868 120.605 115.700 0.061 0.000 2.545 440 S HA 0.234 4.704 4.470 0.001 0.000 0.275 440 S C 0.311 174.937 174.600 0.043 0.000 1.299 440 S CA -0.329 57.899 58.200 0.047 0.000 1.048 440 S CB -0.302 62.917 63.200 0.033 0.000 0.938 440 S HN 0.700 nan 8.310 nan 0.000 0.496 441 N N 2.347 121.071 118.700 0.039 0.000 2.669 441 N HA -0.107 4.633 4.740 0.001 0.000 0.266 441 N C -2.627 172.919 175.510 0.060 0.000 1.024 441 N CA 0.810 53.883 53.050 0.039 0.000 0.766 441 N CB -0.869 37.634 38.487 0.027 0.000 0.898 441 N HN 0.530 nan 8.380 nan 0.000 0.548 442 P HA 0.054 nan 4.420 nan 0.000 0.276 442 P C 0.521 177.912 177.300 0.152 0.000 1.230 442 P CA -0.125 63.063 63.100 0.148 0.000 0.776 442 P CB 1.266 33.073 31.700 0.180 0.000 0.888 443 K N 0.731 121.268 120.400 0.229 0.000 1.970 443 K HA -0.080 4.241 4.320 0.001 0.000 0.225 443 K C 1.393 178.035 176.600 0.070 0.000 1.045 443 K CA 1.490 57.877 56.287 0.168 0.000 1.002 443 K CB -0.727 31.925 32.500 0.253 0.000 0.743 443 K HN 0.498 nan 8.250 nan 0.000 0.445 444 T N -1.267 113.270 114.554 -0.029 0.000 2.770 444 T HA 0.298 4.649 4.350 0.001 0.000 0.281 444 T C 1.019 175.627 174.700 -0.154 0.000 0.981 444 T CA 0.078 62.053 62.100 -0.209 0.000 0.955 444 T CB 1.306 69.871 68.868 -0.504 0.000 1.060 444 T HN 0.301 nan 8.240 nan 0.000 0.531 445 A N 0.576 123.301 122.820 -0.159 0.000 2.014 445 A HA 0.063 4.383 4.320 0.001 0.000 0.218 445 A C 1.494 179.023 177.584 -0.093 0.000 1.163 445 A CA 1.169 53.153 52.037 -0.088 0.000 0.652 445 A CB -0.477 18.474 19.000 -0.081 0.000 0.808 445 A HN 0.912 nan 8.150 nan 0.000 0.449 446 E N -1.098 118.964 120.200 -0.229 0.000 2.303 446 E HA 0.223 4.574 4.350 0.001 0.000 0.211 446 E C -0.443 176.124 176.600 -0.055 0.000 1.223 446 E CA -0.107 56.179 56.400 -0.190 0.000 1.344 446 E CB -0.530 29.000 29.700 -0.282 0.000 1.299 446 E HN 0.728 nan 8.360 nan 0.000 0.441 447 F N 0.155 120.102 119.950 -0.005 0.000 2.856 447 F HA 0.170 4.698 4.527 0.000 0.000 0.333 447 F C 1.488 177.306 175.800 0.030 0.000 1.200 447 F CA -0.433 57.571 58.000 0.007 0.000 1.128 447 F CB 0.846 39.845 39.000 -0.002 0.000 1.172 447 F HN 0.012 nan 8.300 nan 0.000 0.511 448 Q N 0.145 120.071 119.800 0.211 0.000 2.089 448 Q HA 0.064 4.405 4.340 0.001 0.000 0.195 448 Q C 0.399 176.503 176.000 0.174 0.000 0.963 448 Q CA 0.985 56.894 55.803 0.176 0.000 0.834 448 Q CB 0.655 29.483 28.738 0.149 0.000 0.906 448 Q HN 0.120 nan 8.270 nan 0.000 0.452 449 V N -0.453 119.539 119.914 0.130 0.000 3.074 449 V HA 0.673 4.794 4.120 0.001 0.000 0.314 449 V C -1.039 175.088 176.094 0.056 0.000 1.117 449 V CA -1.123 61.205 62.300 0.047 0.000 1.014 449 V CB 1.842 33.659 31.823 -0.010 0.000 1.057 449 V HN 0.177 nan 8.190 nan 0.000 0.438 450 A N 1.818 124.648 122.820 0.017 0.000 2.292 450 A HA 0.666 4.986 4.320 0.001 0.000 0.319 450 A C 0.273 177.882 177.584 0.043 0.000 1.206 450 A CA -0.653 51.409 52.037 0.041 0.000 0.835 450 A CB 0.365 19.381 19.000 0.026 0.000 1.164 450 A HN 0.827 nan 8.150 nan 0.000 0.505 451 R N 1.128 121.671 120.500 0.071 0.000 2.442 451 R HA -0.056 4.284 4.340 0.001 0.000 0.274 451 R C -0.003 176.339 176.300 0.069 0.000 0.944 451 R CA 1.147 57.294 56.100 0.078 0.000 1.097 451 R CB -0.062 30.292 30.300 0.090 0.000 0.847 451 R HN 0.746 nan 8.270 nan 0.000 0.430 452 T N -0.561 114.039 114.554 0.076 0.000 3.041 452 T HA 0.073 4.423 4.350 0.001 0.000 0.276 452 T C 0.012 174.773 174.700 0.101 0.000 0.948 452 T CA 0.403 62.545 62.100 0.071 0.000 0.885 452 T CB 0.674 69.566 68.868 0.040 0.000 1.175 452 T HN 0.741 nan 8.240 nan 0.000 0.529 453 T N 0.246 114.865 114.554 0.108 0.000 2.827 453 T HA 0.414 4.765 4.350 0.001 0.000 0.328 453 T C -0.871 173.886 174.700 0.095 0.000 1.598 453 T CA -0.653 61.509 62.100 0.103 0.000 1.043 453 T CB 0.712 69.606 68.868 0.043 0.000 1.447 453 T HN -0.215 nan 8.240 nan 0.000 0.491 454 L N 3.101 124.378 121.223 0.089 0.000 2.554 454 L HA 0.271 4.612 4.340 0.001 0.000 0.225 454 L C 2.323 179.202 176.870 0.015 0.000 1.104 454 L CA 0.349 55.227 54.840 0.064 0.000 0.866 454 L CB -1.309 40.799 42.059 0.082 0.000 1.047 454 L HN 0.634 nan 8.230 nan 0.000 0.468 455 L N 1.511 122.732 121.223 -0.003 0.000 1.990 455 L HA -0.154 4.187 4.340 0.001 0.000 0.213 455 L C -0.158 176.609 176.870 -0.171 0.000 1.072 455 L CA 2.384 57.184 54.840 -0.066 0.000 0.755 455 L CB -1.505 40.514 42.059 -0.068 0.000 0.889 455 L HN 0.148 nan 8.230 nan 0.000 0.432 456 P HA -0.156 nan 4.420 nan 0.000 0.208 456 P C 1.679 178.875 177.300 -0.174 0.000 1.180 456 P CA 1.975 64.929 63.100 -0.243 0.000 0.935 456 P CB -0.476 31.248 31.700 0.040 0.000 0.785 457 G N -0.261 108.525 108.800 -0.024 0.000 2.556 457 G HA2 -0.314 3.646 3.960 0.001 0.000 0.220 457 G HA3 -0.314 3.646 3.960 0.001 0.000 0.220 457 G C 1.599 176.473 174.900 -0.043 0.000 1.156 457 G CA 1.077 46.184 45.100 0.013 0.000 0.766 457 G HN 0.211 nan 8.290 nan 0.000 0.583 458 L N -0.678 120.502 121.223 -0.072 0.000 2.012 458 L HA -0.115 4.225 4.340 0.001 0.000 0.210 458 L C 2.903 179.691 176.870 -0.136 0.000 1.073 458 L CA 0.587 55.377 54.840 -0.082 0.000 0.748 458 L CB -0.416 41.614 42.059 -0.049 0.000 0.891 458 L HN 0.170 nan 8.230 nan 0.000 0.431 459 L N -0.039 121.052 121.223 -0.221 0.000 1.970 459 L HA -0.260 4.080 4.340 0.001 0.000 0.212 459 L C 2.471 179.232 176.870 -0.182 0.000 1.071 459 L CA 1.830 56.500 54.840 -0.283 0.000 0.751 459 L CB -0.907 40.795 42.059 -0.596 0.000 0.889 459 L HN 0.158 nan 8.230 nan 0.000 0.432 460 K N -1.360 118.973 120.400 -0.111 0.000 2.228 460 K HA -0.203 4.117 4.320 0.001 0.000 0.205 460 K C 1.904 178.490 176.600 -0.023 0.000 1.045 460 K CA 1.764 58.062 56.287 0.019 0.000 0.931 460 K CB -0.513 32.040 32.500 0.087 0.000 0.727 460 K HN 0.382 nan 8.250 nan 0.000 0.458 461 T N 1.440 115.959 114.554 -0.059 0.000 2.812 461 T HA -0.014 4.337 4.350 0.001 0.000 0.264 461 T C 1.893 176.523 174.700 -0.118 0.000 1.042 461 T CA 0.918 62.978 62.100 -0.066 0.000 1.140 461 T CB -0.126 68.700 68.868 -0.071 0.000 0.870 461 T HN 0.147 nan 8.240 nan 0.000 0.445 462 I N 1.646 122.100 120.570 -0.194 0.000 2.226 462 I HA -0.171 3.999 4.170 0.001 0.000 0.245 462 I C 2.961 178.925 176.117 -0.256 0.000 1.100 462 I CA 1.095 62.201 61.300 -0.323 0.000 1.374 462 I CB -0.604 37.032 38.000 -0.606 0.000 1.057 462 I HN 0.163 nan 8.210 nan 0.000 0.413 463 A N 0.978 123.695 122.820 -0.172 0.000 1.917 463 A HA -0.217 4.103 4.320 0.001 0.000 0.219 463 A C 2.416 179.966 177.584 -0.057 0.000 1.182 463 A CA 2.196 54.184 52.037 -0.081 0.000 0.633 463 A CB -0.835 18.162 19.000 -0.005 0.000 0.819 463 A HN 0.472 nan 8.150 nan 0.000 0.448 464 A N -1.339 121.449 122.820 -0.053 0.000 2.208 464 A HA 0.084 4.404 4.320 0.001 0.000 0.209 464 A C 1.096 178.653 177.584 -0.045 0.000 1.161 464 A CA 0.522 52.538 52.037 -0.035 0.000 0.782 464 A CB -0.170 18.819 19.000 -0.018 0.000 0.816 464 A HN 0.481 nan 8.150 nan 0.000 0.477 465 N N -0.032 118.624 118.700 -0.073 0.000 2.480 465 N HA 0.099 4.839 4.740 0.001 0.000 0.281 465 N C 0.579 176.048 175.510 -0.069 0.000 1.381 465 N CA -0.147 52.861 53.050 -0.069 0.000 0.903 465 N CB 0.424 38.860 38.487 -0.084 0.000 1.274 465 N HN 0.500 nan 8.380 nan 0.000 0.505 466 R N 0.947 121.417 120.500 -0.051 0.000 2.127 466 R HA -0.155 4.185 4.340 0.001 0.000 0.238 466 R C 1.655 177.951 176.300 -0.007 0.000 1.134 466 R CA 1.099 57.186 56.100 -0.021 0.000 0.975 466 R CB -0.352 29.947 30.300 -0.002 0.000 0.865 466 R HN 0.309 nan 8.270 nan 0.000 0.447 467 K N 0.136 120.527 120.400 -0.015 0.000 2.519 467 K HA -0.005 4.315 4.320 0.001 0.000 0.196 467 K C 0.435 177.027 176.600 -0.013 0.000 1.041 467 K CA 0.633 56.914 56.287 -0.011 0.000 0.954 467 K CB 0.015 32.507 32.500 -0.013 0.000 0.774 467 K HN 0.027 nan 8.250 nan 0.000 0.480 468 M N 2.313 121.900 119.600 -0.022 0.000 2.211 468 M HA 0.278 4.758 4.480 0.001 0.000 0.356 468 M C -2.058 174.232 176.300 -0.016 0.000 1.216 468 M CA -2.889 52.395 55.300 -0.026 0.000 1.134 468 M CB 0.063 32.636 32.600 -0.046 0.000 1.564 468 M HN -0.143 nan 8.290 nan 0.000 0.463 469 P HA -0.030 nan 4.420 nan 0.000 0.272 469 P C 1.137 178.424 177.300 -0.022 0.000 1.225 469 P CA -0.121 62.968 63.100 -0.019 0.000 0.800 469 P CB 0.391 32.077 31.700 -0.024 0.000 0.894 470 L N -0.055 121.155 121.223 -0.022 0.000 2.350 470 L HA -0.202 4.138 4.340 0.001 0.000 0.250 470 L C -1.063 175.771 176.870 -0.060 0.000 1.109 470 L CA 1.796 56.617 54.840 -0.031 0.000 0.820 470 L CB -2.212 39.830 42.059 -0.028 0.000 0.977 470 L HN 0.501 nan 8.230 nan 0.000 0.423 471 P HA 0.284 nan 4.420 nan 0.000 0.304 471 P C -1.211 175.925 177.300 -0.274 0.000 1.360 471 P CA -0.210 62.733 63.100 -0.262 0.000 0.869 471 P CB 1.329 32.797 31.700 -0.386 0.000 0.988 472 L N 4.260 125.347 121.223 -0.227 0.000 2.276 472 L HA 0.356 4.697 4.340 0.001 0.000 0.286 472 L C 0.845 177.511 176.870 -0.340 0.000 1.061 472 L CA -0.247 54.469 54.840 -0.206 0.000 0.807 472 L CB 0.879 42.865 42.059 -0.122 0.000 1.177 472 L HN 0.277 nan 8.230 nan 0.000 0.429 473 K N 5.096 125.263 120.400 -0.388 0.000 2.530 473 K HA 0.438 4.758 4.320 0.001 0.000 0.230 473 K C -1.295 175.131 176.600 -0.291 0.000 1.002 473 K CA -0.717 55.168 56.287 -0.669 0.000 1.014 473 K CB 1.382 33.152 32.500 -1.218 0.000 1.286 473 K HN 0.257 nan 8.250 nan 0.000 0.480 474 L N 2.993 124.217 121.223 0.001 0.000 2.352 474 L HA 0.640 4.981 4.340 0.001 0.000 0.269 474 L C -0.391 176.758 176.870 0.465 0.000 1.034 474 L CA -0.575 54.369 54.840 0.174 0.000 0.806 474 L CB 0.538 42.614 42.059 0.028 0.000 1.244 474 L HN 0.503 nan 8.230 nan 0.000 0.447 475 F N -0.783 119.279 119.950 0.186 0.000 2.744 475 F HA 0.757 5.284 4.527 0.001 0.000 0.311 475 F C -1.256 174.577 175.800 0.054 0.000 1.144 475 F CA -0.743 57.339 58.000 0.136 0.000 0.938 475 F CB 1.498 40.576 39.000 0.130 0.000 1.292 475 F HN 0.530 nan 8.300 nan 0.000 0.444 476 E N 2.363 122.558 120.200 -0.009 0.000 2.378 476 E HA 0.562 4.913 4.350 0.001 0.000 0.283 476 E C -1.961 174.706 176.600 0.112 0.000 0.979 476 E CA -0.750 55.545 56.400 -0.175 0.000 0.795 476 E CB 2.486 32.102 29.700 -0.141 0.000 1.221 476 E HN 0.765 nan 8.360 nan 0.000 0.428 477 I N 2.782 123.404 120.570 0.088 0.000 2.502 477 I HA 0.345 4.515 4.170 0.001 0.000 0.276 477 I C -0.320 175.811 176.117 0.024 0.000 1.057 477 I CA -0.149 61.211 61.300 0.099 0.000 1.163 477 I CB 1.325 39.394 38.000 0.115 0.000 1.288 477 I HN 0.250 nan 8.210 nan 0.000 0.479 478 S N 2.663 118.376 115.700 0.022 0.000 2.851 478 S HA 0.499 4.969 4.470 0.001 0.000 0.313 478 S C -1.078 173.514 174.600 -0.014 0.000 1.163 478 S CA -0.714 57.481 58.200 -0.009 0.000 0.850 478 S CB 1.934 65.123 63.200 -0.018 0.000 1.245 478 S HN 0.413 nan 8.310 nan 0.000 0.558 479 D N 0.919 121.305 120.400 -0.022 0.000 2.294 479 D HA 0.636 5.276 4.640 0.001 0.000 0.250 479 D C -0.514 175.791 176.300 0.008 0.000 1.058 479 D CA -0.133 53.848 54.000 -0.031 0.000 0.950 479 D CB 0.850 41.636 40.800 -0.023 0.000 1.158 479 D HN 0.418 nan 8.370 nan 0.000 0.453 480 I N -1.865 118.711 120.570 0.011 0.000 2.722 480 I HA 0.524 4.695 4.170 0.001 0.000 0.295 480 I C -1.020 175.151 176.117 0.091 0.000 1.161 480 I CA -1.054 60.288 61.300 0.070 0.000 1.032 480 I CB 1.662 39.750 38.000 0.146 0.000 1.244 480 I HN 0.093 nan 8.210 nan 0.000 0.421 481 V N 6.545 126.507 119.914 0.080 0.000 2.716 481 V HA 0.677 4.797 4.120 0.001 0.000 0.304 481 V C -0.256 175.879 176.094 0.069 0.000 1.053 481 V CA -0.545 61.806 62.300 0.085 0.000 0.984 481 V CB 1.662 33.515 31.823 0.051 0.000 1.021 481 V HN 0.753 nan 8.190 nan 0.000 0.467 482 I N 3.741 124.363 120.570 0.086 0.000 2.918 482 I HA 0.396 4.567 4.170 0.001 0.000 0.301 482 I C -0.717 175.436 176.117 0.060 0.000 1.312 482 I CA -0.993 60.333 61.300 0.043 0.000 1.007 482 I CB 2.567 40.561 38.000 -0.009 0.000 1.281 482 I HN 0.468 nan 8.210 nan 0.000 0.440 483 K N 2.969 123.389 120.400 0.034 0.000 2.249 483 K HA 0.262 4.582 4.320 0.001 0.000 0.280 483 K C -0.976 175.659 176.600 0.057 0.000 1.033 483 K CA -0.309 56.002 56.287 0.041 0.000 0.946 483 K CB 0.783 33.301 32.500 0.030 0.000 1.005 483 K HN 0.411 nan 8.250 nan 0.000 0.469 484 D N 1.275 121.713 120.400 0.063 0.000 2.575 484 D HA 0.087 4.727 4.640 0.001 0.000 0.250 484 D C 0.033 176.362 176.300 0.050 0.000 1.279 484 D CA -0.299 53.743 54.000 0.071 0.000 0.925 484 D CB 1.558 42.419 40.800 0.101 0.000 1.261 484 D HN 0.341 nan 8.370 nan 0.000 0.567 485 S N 2.341 118.066 115.700 0.042 0.000 2.500 485 S HA -0.065 4.405 4.470 0.001 0.000 0.239 485 S C 0.969 175.586 174.600 0.029 0.000 0.989 485 S CA 0.573 58.792 58.200 0.033 0.000 0.951 485 S CB -0.175 63.043 63.200 0.029 0.000 0.759 485 S HN 0.540 nan 8.310 nan 0.000 0.523 486 N N 1.859 120.579 118.700 0.033 0.000 2.453 486 N HA 0.105 4.846 4.740 0.001 0.000 0.270 486 N C -0.694 174.829 175.510 0.022 0.000 1.195 486 N CA -0.109 52.957 53.050 0.026 0.000 0.902 486 N CB 0.719 39.222 38.487 0.028 0.000 1.186 486 N HN 0.277 nan 8.380 nan 0.000 0.510 487 T N -2.531 112.036 114.554 0.021 0.000 2.971 487 T HA 0.085 4.435 4.350 0.001 0.000 0.304 487 T C 0.791 175.498 174.700 0.012 0.000 1.038 487 T CA -0.918 61.191 62.100 0.014 0.000 1.007 487 T CB 1.852 70.731 68.868 0.019 0.000 1.055 487 T HN 0.034 nan 8.240 nan 0.000 0.451 488 D N 2.217 122.620 120.400 0.005 0.000 2.220 488 D HA -0.177 4.463 4.640 0.001 0.000 0.198 488 D C 1.536 177.840 176.300 0.006 0.000 1.001 488 D CA 1.278 55.279 54.000 0.003 0.000 0.875 488 D CB -0.445 40.353 40.800 -0.002 0.000 0.921 488 D HN 0.351 nan 8.370 nan 0.000 0.454 489 V N -1.077 118.842 119.914 0.008 0.000 2.825 489 V HA 0.324 4.444 4.120 0.001 0.000 0.246 489 V C 1.834 177.938 176.094 0.017 0.000 1.068 489 V CA 1.599 63.905 62.300 0.011 0.000 1.088 489 V CB 0.236 32.065 31.823 0.009 0.000 0.733 489 V HN 0.638 nan 8.190 nan 0.000 0.468 490 G N -0.801 108.012 108.800 0.022 0.000 2.255 490 G HA2 0.085 4.046 3.960 0.001 0.000 0.196 490 G HA3 0.085 4.046 3.960 0.001 0.000 0.196 490 G C 0.133 175.055 174.900 0.037 0.000 0.998 490 G CA 0.054 45.171 45.100 0.028 0.000 0.656 490 G HN 1.351 nan 8.290 nan 0.000 0.490 491 A N -0.513 122.330 122.820 0.039 0.000 2.527 491 A HA 0.925 5.245 4.320 0.001 0.000 0.293 491 A C -0.642 176.980 177.584 0.064 0.000 1.117 491 A CA 0.146 52.215 52.037 0.054 0.000 0.723 491 A CB 1.941 20.967 19.000 0.044 0.000 1.313 491 A HN 0.843 nan 8.150 nan 0.000 0.411 492 K N 0.799 121.265 120.400 0.111 0.000 2.498 492 K HA 0.386 4.706 4.320 0.001 0.000 0.254 492 K C -1.235 175.455 176.600 0.150 0.000 0.933 492 K CA -0.532 55.813 56.287 0.096 0.000 0.806 492 K CB 1.541 34.101 32.500 0.101 0.000 1.301 492 K HN 0.867 nan 8.250 nan 0.000 0.432 493 N N 2.086 120.795 118.700 0.015 0.000 2.508 493 N HA 0.284 5.024 4.740 0.001 0.000 0.285 493 N C -1.422 174.032 175.510 -0.094 0.000 1.144 493 N CA -0.296 52.777 53.050 0.038 0.000 0.978 493 N CB 0.778 39.255 38.487 -0.016 0.000 1.180 493 N HN 0.320 nan 8.380 nan 0.000 0.484 494 Y N 0.196 120.404 120.300 -0.154 0.000 2.477 494 Y HA 0.312 4.862 4.550 0.001 0.000 0.347 494 Y C -0.033 175.637 175.900 -0.383 0.000 0.981 494 Y CA -0.898 57.047 58.100 -0.258 0.000 1.033 494 Y CB 1.340 39.601 38.460 -0.332 0.000 1.245 494 Y HN 0.181 nan 8.280 nan 0.000 0.455 495 R N 2.994 123.393 120.500 -0.169 0.000 2.235 495 R HA 0.239 4.579 4.340 0.001 0.000 0.338 495 R C -1.006 175.248 176.300 -0.076 0.000 1.087 495 R CA -0.320 55.700 56.100 -0.133 0.000 0.948 495 R CB -0.348 29.902 30.300 -0.083 0.000 1.099 495 R HN 0.663 nan 8.270 nan 0.000 0.483 496 H N 2.307 121.423 119.070 0.077 0.000 2.463 496 H HA 0.272 4.828 4.556 0.000 0.000 0.332 496 H C -0.148 175.209 175.328 0.049 0.000 1.127 496 H CA -0.800 55.288 56.048 0.067 0.000 1.238 496 H CB 2.214 32.016 29.762 0.067 0.000 1.478 496 H HN 0.345 nan 8.280 nan 0.000 0.499 497 L N 3.019 124.343 121.223 0.169 0.000 2.280 497 L HA 0.376 4.716 4.340 0.001 0.000 0.287 497 L C -0.805 176.127 176.870 0.104 0.000 1.023 497 L CA -0.477 54.425 54.840 0.103 0.000 0.819 497 L CB 0.452 42.511 42.059 0.000 0.000 1.212 497 L HN 0.583 nan 8.230 nan 0.000 0.420 498 C N 5.475 124.861 119.300 0.144 0.000 2.396 498 C HA 0.942 5.403 4.460 0.001 0.000 0.321 498 C C 0.124 175.222 174.990 0.180 0.000 1.233 498 C CA -0.042 59.053 59.018 0.127 0.000 1.440 498 C CB 0.453 28.260 27.740 0.112 0.000 2.110 498 C HN 1.013 nan 8.230 nan 0.000 0.473 499 A N 4.407 127.330 122.820 0.173 0.000 2.430 499 A HA 0.963 5.284 4.320 0.001 0.000 0.300 499 A C -0.759 177.009 177.584 0.306 0.000 1.124 499 A CA -0.209 52.000 52.037 0.286 0.000 0.766 499 A CB 1.636 20.743 19.000 0.179 0.000 1.328 499 A HN 1.998 nan 8.150 nan 0.000 0.424 500 V N -2.081 118.071 119.914 0.397 0.000 3.012 500 V HA 0.706 4.827 4.120 0.001 0.000 0.307 500 V C -1.350 174.946 176.094 0.336 0.000 1.166 500 V CA -0.727 61.761 62.300 0.313 0.000 0.974 500 V CB 1.338 33.264 31.823 0.172 0.000 1.040 500 V HN 1.041 nan 8.190 nan 0.000 0.428 501 Y N 3.453 123.870 120.300 0.196 0.000 2.328 501 Y HA 0.719 5.269 4.550 0.000 0.000 0.333 501 Y C -1.431 174.564 175.900 0.157 0.000 0.958 501 Y CA -0.923 57.253 58.100 0.127 0.000 1.167 501 Y CB 1.782 40.326 38.460 0.139 0.000 1.151 501 Y HN 0.836 nan 8.280 nan 0.000 0.470 502 Y N 7.141 127.288 120.300 -0.255 0.000 2.328 502 Y HA 0.490 5.040 4.550 0.000 0.000 0.333 502 Y C -0.761 174.993 175.900 -0.242 0.000 0.958 502 Y CA -0.599 57.412 58.100 -0.147 0.000 1.167 502 Y CB 0.732 39.112 38.460 -0.133 0.000 1.151 502 Y HN 0.842 nan 8.280 nan 0.000 0.470 503 N N 2.895 121.414 118.700 -0.302 0.000 3.116 503 N HA 0.137 4.878 4.740 0.001 0.000 0.244 503 N C 0.137 175.542 175.510 -0.175 0.000 1.485 503 N CA -0.720 52.217 53.050 -0.189 0.000 0.884 503 N CB 1.306 39.794 38.487 0.002 0.000 1.415 503 N HN 0.313 nan 8.380 nan 0.000 0.524 504 K N 0.285 120.627 120.400 -0.097 0.000 2.059 504 K HA -0.170 4.150 4.320 0.001 0.000 0.212 504 K C 0.353 176.913 176.600 -0.066 0.000 1.050 504 K CA 1.808 58.045 56.287 -0.083 0.000 0.927 504 K CB -0.968 31.510 32.500 -0.037 0.000 0.714 504 K HN 0.678 nan 8.250 nan 0.000 0.447 505 N N 0.290 118.989 118.700 -0.002 0.000 2.314 505 N HA 0.263 5.003 4.740 0.001 0.000 0.304 505 N C -2.939 172.618 175.510 0.077 0.000 1.073 505 N CA -1.888 51.169 53.050 0.011 0.000 0.822 505 N CB 2.089 40.588 38.487 0.021 0.000 1.280 505 N HN -0.208 nan 8.380 nan 0.000 0.489 506 P HA 0.153 nan 4.420 nan 0.000 0.275 506 P C 0.107 177.441 177.300 0.056 0.000 1.227 506 P CA -0.180 62.997 63.100 0.128 0.000 0.781 506 P CB 0.998 32.753 31.700 0.092 0.000 0.906 507 G N 1.944 110.669 108.800 -0.125 0.000 3.782 507 G HA2 -0.020 3.941 3.960 0.001 0.000 0.288 507 G HA3 -0.020 3.941 3.960 0.001 0.000 0.288 507 G C 0.590 175.379 174.900 -0.185 0.000 1.300 507 G CA -0.371 44.399 45.100 -0.549 0.000 1.261 507 G HN 0.389 nan 8.290 nan 0.000 0.591 508 F N 1.729 121.630 119.950 -0.082 0.000 2.225 508 F HA -0.199 4.328 4.527 0.001 0.000 0.302 508 F C 2.137 177.951 175.800 0.022 0.000 1.068 508 F CA 1.927 59.937 58.000 0.017 0.000 1.327 508 F CB 0.414 39.448 39.000 0.056 0.000 1.043 508 F HN 0.415 nan 8.300 nan 0.000 0.506 509 E N -0.092 120.076 120.200 -0.053 0.000 2.190 509 E HA -0.037 4.313 4.350 0.001 0.000 0.191 509 E C 2.183 178.732 176.600 -0.085 0.000 0.978 509 E CA 1.149 57.490 56.400 -0.098 0.000 0.839 509 E CB -0.641 29.038 29.700 -0.034 0.000 0.787 509 E HN 0.553 nan 8.360 nan 0.000 0.473 510 I N 0.372 120.859 120.570 -0.138 0.000 2.761 510 I HA -0.109 4.061 4.170 0.001 0.000 0.261 510 I C 1.336 177.422 176.117 -0.051 0.000 1.198 510 I CA 0.641 61.875 61.300 -0.110 0.000 1.482 510 I CB 0.247 38.117 38.000 -0.217 0.000 1.100 510 I HN 0.091 nan 8.210 nan 0.000 0.445 511 I N 0.404 120.924 120.570 -0.083 0.000 2.406 511 I HA -0.244 3.926 4.170 0.001 0.000 0.249 511 I C 2.436 178.490 176.117 -0.105 0.000 1.122 511 I CA 1.339 62.632 61.300 -0.011 0.000 1.431 511 I CB -1.313 36.714 38.000 0.045 0.000 1.087 511 I HN 0.397 nan 8.210 nan 0.000 0.424 512 H N 1.033 119.910 119.070 -0.321 0.000 2.353 512 H HA -0.126 4.431 4.556 0.000 0.000 0.300 512 H C 2.006 177.242 175.328 -0.153 0.000 1.090 512 H CA 1.806 57.664 56.048 -0.317 0.000 1.327 512 H CB 0.100 29.599 29.762 -0.438 0.000 1.383 512 H HN 0.300 nan 8.280 nan 0.000 0.508 513 G N 0.965 109.727 108.800 -0.064 0.000 2.443 513 G HA2 -0.195 3.766 3.960 0.001 0.000 0.219 513 G HA3 -0.195 3.766 3.960 0.001 0.000 0.219 513 G C 1.823 176.658 174.900 -0.109 0.000 1.131 513 G CA 0.590 45.651 45.100 -0.064 0.000 0.775 513 G HN 0.390 nan 8.290 nan 0.000 0.547 514 L N 0.366 121.516 121.223 -0.121 0.000 2.027 514 L HA 0.166 4.506 4.340 0.001 0.000 0.206 514 L C 2.570 179.306 176.870 -0.223 0.000 1.074 514 L CA 1.404 56.133 54.840 -0.185 0.000 0.745 514 L CB -0.493 41.430 42.059 -0.227 0.000 0.898 514 L HN 0.221 nan 8.230 nan 0.000 0.433 515 L N -0.874 120.220 121.223 -0.215 0.000 2.079 515 L HA -0.251 4.089 4.340 0.001 0.000 0.210 515 L C 2.073 178.815 176.870 -0.213 0.000 1.081 515 L CA 1.768 56.479 54.840 -0.216 0.000 0.752 515 L CB -0.550 41.400 42.059 -0.181 0.000 0.896 515 L HN 0.358 nan 8.230 nan 0.000 0.433 516 D N -0.457 119.833 120.400 -0.182 0.000 2.117 516 D HA -0.231 4.410 4.640 0.001 0.000 0.197 516 D C 2.193 178.413 176.300 -0.134 0.000 0.987 516 D CA 1.168 55.116 54.000 -0.086 0.000 0.829 516 D CB -0.028 40.737 40.800 -0.058 0.000 0.961 516 D HN 0.238 nan 8.370 nan 0.000 0.460 517 R N 0.974 121.384 120.500 -0.149 0.000 2.070 517 R HA -0.060 4.281 4.340 0.001 0.000 0.233 517 R C 2.452 178.628 176.300 -0.207 0.000 1.137 517 R CA 0.915 56.925 56.100 -0.151 0.000 0.945 517 R CB -0.761 29.449 30.300 -0.149 0.000 0.845 517 R HN 0.127 nan 8.270 nan 0.000 0.430 518 I N 0.174 120.587 120.570 -0.262 0.000 2.113 518 I HA -0.390 3.780 4.170 0.001 0.000 0.242 518 I C 2.152 178.051 176.117 -0.364 0.000 1.064 518 I CA 1.544 62.654 61.300 -0.317 0.000 1.320 518 I CB -0.340 37.447 38.000 -0.355 0.000 1.028 518 I HN 0.299 nan 8.210 nan 0.000 0.406 519 M N -0.278 119.062 119.600 -0.434 0.000 2.117 519 M HA -0.254 4.226 4.480 0.001 0.000 0.262 519 M C 2.296 178.393 176.300 -0.338 0.000 1.065 519 M CA 1.688 56.659 55.300 -0.547 0.000 1.114 519 M CB -1.264 30.703 32.600 -1.056 0.000 1.361 519 M HN 0.366 nan 8.290 nan 0.000 0.408 520 Q N 0.019 119.677 119.800 -0.238 0.000 2.135 520 Q HA -0.176 4.164 4.340 0.001 0.000 0.204 520 Q C 1.951 177.878 176.000 -0.121 0.000 0.981 520 Q CA 1.088 56.813 55.803 -0.130 0.000 0.856 520 Q CB 0.130 28.816 28.738 -0.087 0.000 0.902 520 Q HN 0.316 nan 8.270 nan 0.000 0.425 521 L N 0.482 121.613 121.223 -0.154 0.000 2.056 521 L HA -0.128 4.212 4.340 0.001 0.000 0.207 521 L C 2.081 178.879 176.870 -0.121 0.000 1.078 521 L CA 1.438 56.199 54.840 -0.132 0.000 0.749 521 L CB -0.898 41.066 42.059 -0.158 0.000 0.901 521 L HN 0.373 nan 8.230 nan 0.000 0.433 522 L N -0.668 120.458 121.223 -0.161 0.000 2.627 522 L HA -0.018 4.322 4.340 0.001 0.000 0.233 522 L C 0.246 177.088 176.870 -0.046 0.000 1.144 522 L CA -0.026 54.746 54.840 -0.113 0.000 0.892 522 L CB -0.513 41.431 42.059 -0.191 0.000 1.039 522 L HN 0.263 nan 8.230 nan 0.000 0.442 523 D N 0.600 120.965 120.400 -0.059 0.000 2.697 523 D HA -0.168 4.473 4.640 0.001 0.000 0.238 523 D C -0.710 175.592 176.300 0.003 0.000 1.152 523 D CA 0.311 54.297 54.000 -0.023 0.000 0.666 523 D CB -0.542 40.255 40.800 -0.005 0.000 1.037 523 D HN -0.014 nan 8.370 nan 0.000 0.423 524 V N 2.226 122.123 119.914 -0.028 0.000 2.326 524 V HA 0.458 4.578 4.120 0.001 0.000 0.281 524 V C -1.532 174.595 176.094 0.055 0.000 1.015 524 V CA -1.263 61.048 62.300 0.019 0.000 0.823 524 V CB 1.548 33.381 31.823 0.018 0.000 1.009 524 V HN 0.176 nan 8.190 nan 0.000 0.436 525 P HA 0.244 nan 4.420 nan 0.000 0.272 525 P C -2.696 174.847 177.300 0.406 0.000 1.223 525 P CA -1.407 61.822 63.100 0.217 0.000 0.784 525 P CB 0.528 32.302 31.700 0.124 0.000 0.923 526 P HA 0.189 nan 4.420 nan 0.000 0.274 526 P C 0.370 177.629 177.300 -0.069 0.000 1.231 526 P CA 0.821 63.891 63.100 -0.050 0.000 0.790 526 P CB 0.268 31.909 31.700 -0.099 0.000 0.951 527 G N 1.983 110.677 108.800 -0.177 0.000 2.814 527 G HA2 -0.226 3.734 3.960 0.001 0.000 0.677 527 G HA3 -0.226 3.734 3.960 0.001 0.000 0.677 527 G C 0.572 175.462 174.900 -0.017 0.000 1.429 527 G CA 0.019 45.069 45.100 -0.084 0.000 0.868 527 G HN 0.459 nan 8.290 nan 0.000 0.553 528 E N 0.083 120.270 120.200 -0.022 0.000 2.268 528 E HA 0.050 4.400 4.350 0.001 0.000 0.195 528 E C 1.991 178.597 176.600 0.010 0.000 0.995 528 E CA 1.495 57.892 56.400 -0.004 0.000 0.836 528 E CB -0.255 29.432 29.700 -0.022 0.000 0.763 528 E HN 0.596 nan 8.360 nan 0.000 0.491 529 D N -0.103 120.301 120.400 0.007 0.000 3.866 529 D HA -0.297 4.343 4.640 0.001 0.000 0.210 529 D C 1.417 177.728 176.300 0.018 0.000 1.279 529 D CA 2.467 56.474 54.000 0.012 0.000 0.868 529 D CB 0.024 40.836 40.800 0.019 0.000 0.938 529 D HN 0.219 nan 8.370 nan 0.000 0.571 530 K N -4.004 116.414 120.400 0.030 0.000 2.722 530 K HA 0.395 4.716 4.320 0.001 0.000 0.239 530 K C 1.387 178.007 176.600 0.034 0.000 1.658 530 K CA 0.505 56.809 56.287 0.029 0.000 0.908 530 K CB 0.548 33.066 32.500 0.030 0.000 2.016 530 K HN 0.115 nan 8.250 nan 0.000 0.370 531 G N 0.819 109.647 108.800 0.048 0.000 3.815 531 G HA2 0.227 4.187 3.960 0.001 0.000 0.265 531 G HA3 0.227 4.187 3.960 0.001 0.000 0.265 531 G C 0.519 175.469 174.900 0.084 0.000 1.026 531 G CA 0.321 45.450 45.100 0.048 0.000 0.868 531 G HN 0.340 nan 8.290 nan 0.000 0.476 532 G N 0.651 109.530 108.800 0.132 0.000 2.466 532 G HA2 0.366 4.326 3.960 0.001 0.000 0.204 532 G HA3 0.366 4.326 3.960 0.001 0.000 0.204 532 G C 0.088 175.197 174.900 0.349 0.000 1.600 532 G CA 0.382 45.631 45.100 0.248 0.000 1.038 532 G HN 0.748 nan 8.290 nan 0.000 0.515 533 Y N -2.370 117.987 120.300 0.095 0.000 2.545 533 Y HA 0.649 5.199 4.550 0.000 0.000 0.348 533 Y C -0.746 175.208 175.900 0.091 0.000 1.002 533 Y CA -1.670 56.501 58.100 0.118 0.000 1.039 533 Y CB 2.198 40.740 38.460 0.136 0.000 1.271 533 Y HN 0.611 nan 8.280 nan 0.000 0.467 534 V N 0.921 120.869 119.914 0.058 0.000 2.612 534 V HA 0.533 4.653 4.120 0.001 0.000 0.301 534 V C -1.023 175.115 176.094 0.072 0.000 1.059 534 V CA -1.091 61.171 62.300 -0.064 0.000 0.886 534 V CB 1.061 32.844 31.823 -0.067 0.000 1.007 534 V HN 0.730 nan 8.190 nan 0.000 0.426 535 I N 3.272 123.859 120.570 0.029 0.000 2.363 535 I HA 0.466 4.636 4.170 0.001 0.000 0.292 535 I C 0.470 176.639 176.117 0.086 0.000 1.075 535 I CA 0.023 61.395 61.300 0.121 0.000 1.333 535 I CB 0.175 38.271 38.000 0.159 0.000 1.415 535 I HN 0.586 nan 8.210 nan 0.000 0.502 536 K N 5.498 125.971 120.400 0.121 0.000 2.367 536 K HA 0.700 5.020 4.320 0.001 0.000 0.263 536 K C -0.140 176.504 176.600 0.074 0.000 1.000 536 K CA -0.744 55.566 56.287 0.038 0.000 0.891 536 K CB 1.661 34.107 32.500 -0.091 0.000 1.117 536 K HN 0.771 nan 8.250 nan 0.000 0.443 537 A N 2.215 125.062 122.820 0.044 0.000 2.603 537 A HA 0.090 4.411 4.320 0.001 0.000 0.235 537 A C 0.194 177.790 177.584 0.021 0.000 1.035 537 A CA 0.706 52.764 52.037 0.036 0.000 0.755 537 A CB 0.266 19.274 19.000 0.013 0.000 0.954 537 A HN 0.626 nan 8.150 nan 0.000 0.511 538 S N -0.093 115.607 115.700 0.000 0.000 2.672 538 S HA 0.565 5.036 4.470 0.001 0.000 0.271 538 S C -1.438 173.132 174.600 -0.050 0.000 1.171 538 S CA -0.497 57.697 58.200 -0.009 0.000 0.817 538 S CB 1.434 64.647 63.200 0.022 0.000 1.150 538 S HN 0.924 nan 8.310 nan 0.000 0.478 539 E N -0.201 119.975 120.200 -0.039 0.000 2.195 539 E HA 0.704 5.054 4.350 0.001 0.000 0.271 539 E C -0.559 176.029 176.600 -0.020 0.000 0.923 539 E CA -0.389 55.987 56.400 -0.041 0.000 0.790 539 E CB 1.582 31.262 29.700 -0.033 0.000 1.155 539 E HN 0.836 nan 8.360 nan 0.000 0.402 540 G N 3.673 112.491 108.800 0.030 0.000 2.719 540 G HA2 0.380 4.341 3.960 0.001 0.000 0.298 540 G HA3 0.380 4.341 3.960 0.001 0.000 0.298 540 G C -2.167 172.861 174.900 0.213 0.000 1.433 540 G CA -1.465 43.733 45.100 0.163 0.000 1.034 540 G HN 0.489 nan 8.290 nan 0.000 0.517 541 P HA 0.036 nan 4.420 nan 0.000 0.239 541 P C 1.034 178.383 177.300 0.082 0.000 1.184 541 P CA 0.853 63.992 63.100 0.064 0.000 0.760 541 P CB 0.692 32.425 31.700 0.055 0.000 0.884 542 A N -1.554 121.367 122.820 0.168 0.000 2.419 542 A HA 0.380 4.700 4.320 0.001 0.000 0.233 542 A C 0.200 177.692 177.584 -0.152 0.000 1.217 542 A CA -0.156 51.875 52.037 -0.009 0.000 0.944 542 A CB 0.067 18.974 19.000 -0.156 0.000 1.025 542 A HN 0.031 nan 8.150 nan 0.000 0.524 543 F N -1.203 118.808 119.950 0.102 0.000 2.508 543 F HA 0.543 5.070 4.527 0.000 0.000 0.325 543 F C -0.163 175.717 175.800 0.133 0.000 1.090 543 F CA -1.898 56.184 58.000 0.137 0.000 0.945 543 F CB 0.881 39.931 39.000 0.084 0.000 1.156 543 F HN 0.118 nan 8.300 nan 0.000 0.463 544 F N 5.258 125.357 119.950 0.248 0.000 2.590 544 F HA 0.254 4.781 4.527 0.000 0.000 0.389 544 F C -2.117 173.727 175.800 0.074 0.000 1.049 544 F CA -2.552 55.565 58.000 0.194 0.000 1.199 544 F CB 0.012 39.094 39.000 0.136 0.000 1.058 544 F HN 0.252 nan 8.300 nan 0.000 0.556 545 P HA 0.076 nan 4.420 nan 0.000 0.263 545 P C 0.460 177.539 177.300 -0.369 0.000 1.168 545 P CA 1.789 64.661 63.100 -0.380 0.000 0.759 545 P CB 0.304 31.754 31.700 -0.418 0.000 0.782 546 G N 2.730 111.411 108.800 -0.198 0.000 2.168 546 G HA2 -0.300 3.660 3.960 0.001 0.000 0.263 546 G HA3 -0.300 3.660 3.960 0.001 0.000 0.263 546 G C 0.339 175.157 174.900 -0.137 0.000 0.977 546 G CA -0.119 44.895 45.100 -0.144 0.000 0.659 546 G HN 0.636 nan 8.290 nan 0.000 0.533 547 R N -0.863 119.530 120.500 -0.178 0.000 2.711 547 R HA 0.478 4.818 4.340 0.001 0.000 0.350 547 R C -0.297 175.736 176.300 -0.445 0.000 1.146 547 R CA 0.205 56.035 56.100 -0.450 0.000 1.190 547 R CB 0.328 30.427 30.300 -0.336 0.000 1.312 547 R HN 0.597 nan 8.270 nan 0.000 0.635 548 C N 0.388 119.573 119.300 -0.192 0.000 2.782 548 C HA 0.882 5.342 4.460 0.001 0.000 0.328 548 C C -0.946 174.007 174.990 -0.061 0.000 1.145 548 C CA -0.146 58.772 59.018 -0.167 0.000 1.358 548 C CB 1.265 28.847 27.740 -0.263 0.000 1.841 548 C HN 0.670 nan 8.230 nan 0.000 0.477 549 A N 3.834 126.642 122.820 -0.021 0.000 2.532 549 A HA 0.896 5.217 4.320 0.001 0.000 0.290 549 A C -1.344 176.246 177.584 0.011 0.000 1.143 549 A CA -0.440 51.629 52.037 0.053 0.000 0.728 549 A CB 1.542 20.648 19.000 0.176 0.000 1.317 549 A HN 0.968 nan 8.150 nan 0.000 0.414 550 E N 0.426 120.691 120.200 0.109 0.000 2.212 550 E HA 0.552 4.903 4.350 0.001 0.000 0.268 550 E C -1.171 175.553 176.600 0.206 0.000 0.902 550 E CA -0.706 55.760 56.400 0.110 0.000 0.779 550 E CB 1.051 30.874 29.700 0.205 0.000 1.172 550 E HN 0.508 nan 8.360 nan 0.000 0.409 551 I N 3.793 124.394 120.570 0.051 0.000 2.331 551 I HA 0.346 4.516 4.170 0.001 0.000 0.292 551 I C -0.596 175.529 176.117 0.014 0.000 0.998 551 I CA -0.397 60.985 61.300 0.137 0.000 1.267 551 I CB -0.228 37.836 38.000 0.108 0.000 1.386 551 I HN 0.443 nan 8.210 nan 0.000 0.476 552 F N 4.028 124.044 119.950 0.110 0.000 2.520 552 F HA 0.821 5.349 4.527 0.000 0.000 0.322 552 F C 0.306 176.182 175.800 0.126 0.000 1.103 552 F CA -0.546 57.506 58.000 0.087 0.000 0.926 552 F CB 2.162 41.192 39.000 0.049 0.000 1.154 552 F HN 0.652 nan 8.300 nan 0.000 0.453 553 A N 1.831 124.781 122.820 0.218 0.000 2.586 553 A HA 0.652 4.973 4.320 0.001 0.000 0.291 553 A C -0.377 177.192 177.584 -0.025 0.000 1.062 553 A CA -1.151 50.966 52.037 0.135 0.000 0.666 553 A CB 1.062 20.169 19.000 0.179 0.000 1.281 553 A HN 0.774 nan 8.150 nan 0.000 0.421 554 R N 0.135 120.603 120.500 -0.053 0.000 3.184 554 R HA -0.208 4.133 4.340 0.001 0.000 0.242 554 R C 1.033 177.302 176.300 -0.050 0.000 0.907 554 R CA 1.261 57.304 56.100 -0.095 0.000 0.618 554 R CB -2.056 28.101 30.300 -0.237 0.000 1.016 554 R HN 2.559 nan 8.270 nan 0.000 0.469 555 G N 0.162 108.972 108.800 0.016 0.000 2.273 555 G HA2 -0.352 3.608 3.960 0.001 0.000 0.280 555 G HA3 -0.352 3.608 3.960 0.001 0.000 0.280 555 G C -0.016 174.916 174.900 0.053 0.000 1.047 555 G CA 1.056 46.181 45.100 0.043 0.000 0.869 555 G HN 0.842 nan 8.290 nan 0.000 0.502 556 Q N -2.305 117.533 119.800 0.064 0.000 2.776 556 Q HA 0.575 4.915 4.340 0.001 0.000 0.289 556 Q C -0.626 175.306 176.000 -0.113 0.000 0.912 556 Q CA -0.325 55.487 55.803 0.015 0.000 0.789 556 Q CB 0.207 28.931 28.738 -0.024 0.000 1.498 556 Q HN 0.859 nan 8.270 nan 0.000 0.408 557 S N 0.308 115.837 115.700 -0.285 0.000 2.510 557 S HA 0.270 4.741 4.470 0.001 0.000 0.279 557 S C 0.263 174.713 174.600 -0.251 0.000 1.284 557 S CA -0.129 57.730 58.200 -0.568 0.000 1.059 557 S CB 0.755 63.634 63.200 -0.536 0.000 0.901 557 S HN 0.458 nan 8.310 nan 0.000 0.491 558 V N 4.794 124.597 119.914 -0.184 0.000 2.581 558 V HA 0.415 4.536 4.120 0.001 0.000 0.240 558 V C 1.406 177.494 176.094 -0.009 0.000 1.054 558 V CA 1.253 63.555 62.300 0.003 0.000 1.076 558 V CB -0.269 31.659 31.823 0.176 0.000 0.748 558 V HN 0.953 nan 8.190 nan 0.000 0.474 559 G N 0.051 108.816 108.800 -0.058 0.000 2.706 559 G HA2 0.529 4.490 3.960 0.001 0.000 0.307 559 G HA3 0.529 4.490 3.960 0.001 0.000 0.307 559 G C -1.628 173.230 174.900 -0.070 0.000 1.307 559 G CA -0.689 44.373 45.100 -0.063 0.000 0.790 559 G HN 0.289 nan 8.290 nan 0.000 0.503 560 K N -0.280 120.097 120.400 -0.039 0.000 2.376 560 K HA 0.746 5.067 4.320 0.001 0.000 0.257 560 K C -1.321 175.282 176.600 0.004 0.000 0.939 560 K CA -0.813 55.437 56.287 -0.062 0.000 0.809 560 K CB 2.765 35.236 32.500 -0.047 0.000 1.121 560 K HN 0.429 nan 8.250 nan 0.000 0.425 561 L N 2.550 123.760 121.223 -0.021 0.000 2.341 561 L HA 0.755 5.096 4.340 0.001 0.000 0.278 561 L C -0.631 176.363 176.870 0.206 0.000 1.005 561 L CA -0.038 54.878 54.840 0.127 0.000 0.818 561 L CB 1.663 43.789 42.059 0.112 0.000 1.259 561 L HN 1.089 nan 8.230 nan 0.000 0.418 562 G N 3.044 112.190 108.800 0.576 0.000 2.349 562 G HA2 0.362 4.322 3.960 0.001 0.000 0.294 562 G HA3 0.362 4.322 3.960 0.001 0.000 0.294 562 G C -2.094 173.316 174.900 0.851 0.000 1.380 562 G CA -0.563 44.977 45.100 0.733 0.000 0.811 562 G HN 0.340 nan 8.290 nan 0.000 0.519 563 V N 1.460 121.668 119.914 0.490 0.000 2.370 563 V HA 0.382 4.502 4.120 0.001 0.000 0.279 563 V C 0.785 177.046 176.094 0.278 0.000 1.029 563 V CA -0.588 61.903 62.300 0.319 0.000 0.870 563 V CB 1.020 32.890 31.823 0.077 0.000 0.984 563 V HN 0.611 nan 8.190 nan 0.000 0.451 564 L N 4.364 125.651 121.223 0.106 0.000 2.559 564 L HA 0.064 4.405 4.340 0.001 0.000 0.282 564 L C 0.568 177.498 176.870 0.099 0.000 1.232 564 L CA 0.060 54.874 54.840 -0.043 0.000 0.885 564 L CB -0.159 41.874 42.059 -0.042 0.000 1.131 564 L HN 0.686 nan 8.230 nan 0.000 0.498 565 H N 5.496 124.578 119.070 0.019 0.000 2.722 565 H HA 0.131 4.687 4.556 0.000 0.000 0.328 565 H C -1.795 173.584 175.328 0.085 0.000 1.067 565 H CA -1.695 54.429 56.048 0.127 0.000 1.447 565 H CB 1.154 30.992 29.762 0.128 0.000 1.469 565 H HN 0.259 nan 8.280 nan 0.000 0.544 566 P HA -0.237 nan 4.420 nan 0.000 0.219 566 P C 0.644 177.776 177.300 -0.280 0.000 1.153 566 P CA 1.954 64.856 63.100 -0.331 0.000 0.865 566 P CB 0.324 31.824 31.700 -0.333 0.000 0.788 567 D N -1.150 118.982 120.400 -0.447 0.000 2.078 567 D HA -0.145 4.495 4.640 0.001 0.000 0.193 567 D C 1.961 178.279 176.300 0.030 0.000 0.990 567 D CA 1.645 55.586 54.000 -0.098 0.000 0.827 567 D CB -1.076 39.794 40.800 0.116 0.000 0.975 567 D HN 0.095 nan 8.370 nan 0.000 0.451 568 V N 0.364 120.342 119.914 0.107 0.000 2.407 568 V HA -0.195 3.925 4.120 0.001 0.000 0.248 568 V C 2.258 178.516 176.094 0.273 0.000 1.055 568 V CA 1.577 64.008 62.300 0.218 0.000 1.049 568 V CB -1.047 30.909 31.823 0.221 0.000 0.662 568 V HN 0.290 nan 8.190 nan 0.000 0.455 569 I N 2.533 123.184 120.570 0.136 0.000 2.493 569 I HA -0.127 4.043 4.170 0.001 0.000 0.254 569 I C 2.294 178.493 176.117 0.136 0.000 1.160 569 I CA 2.433 63.819 61.300 0.143 0.000 1.445 569 I CB -0.863 37.181 38.000 0.073 0.000 1.086 569 I HN 0.556 nan 8.210 nan 0.000 0.433 570 T N -2.359 112.238 114.554 0.072 0.000 2.976 570 T HA 0.065 4.416 4.350 0.001 0.000 0.257 570 T C 1.766 176.483 174.700 0.029 0.000 1.051 570 T CA 0.447 62.572 62.100 0.042 0.000 1.141 570 T CB -0.504 68.363 68.868 -0.001 0.000 0.881 570 T HN 0.342 nan 8.240 nan 0.000 0.461 571 K N 0.218 120.622 120.400 0.006 0.000 2.519 571 K HA 0.083 4.403 4.320 0.001 0.000 0.196 571 K C 0.262 176.702 176.600 -0.266 0.000 1.041 571 K CA 0.726 56.940 56.287 -0.122 0.000 0.954 571 K CB -0.211 32.191 32.500 -0.164 0.000 0.774 571 K HN 0.444 nan 8.250 nan 0.000 0.480 572 F N 1.201 121.151 119.950 -0.000 0.000 2.708 572 F HA 0.126 4.654 4.527 0.001 0.000 0.300 572 F C -0.329 175.468 175.800 -0.005 0.000 1.118 572 F CA -0.404 57.594 58.000 -0.004 0.000 1.307 572 F CB 0.192 39.190 39.000 -0.003 0.000 0.986 572 F HN -0.029 nan 8.300 nan 0.000 0.522 573 E N 1.186 121.445 120.200 0.098 0.000 2.199 573 E HA -0.231 4.119 4.350 0.001 0.000 0.208 573 E C -0.623 176.032 176.600 0.092 0.000 1.310 573 E CA 0.196 56.636 56.400 0.067 0.000 0.709 573 E CB -1.543 28.177 29.700 0.033 0.000 1.127 573 E HN 0.449 nan 8.360 nan 0.000 0.354 574 L N -0.856 120.444 121.223 0.129 0.000 2.303 574 L HA 0.374 4.714 4.340 0.001 0.000 0.266 574 L C 1.517 178.485 176.870 0.164 0.000 1.011 574 L CA -0.729 54.218 54.840 0.178 0.000 0.818 574 L CB 1.654 43.869 42.059 0.259 0.000 1.326 574 L HN -0.004 nan 8.230 nan 0.000 0.435 575 T N -0.568 114.119 114.554 0.222 0.000 3.065 575 T HA 0.184 4.534 4.350 0.001 0.000 0.234 575 T C 0.641 175.326 174.700 -0.024 0.000 1.017 575 T CA 0.081 62.235 62.100 0.090 0.000 1.292 575 T CB -0.073 68.845 68.868 0.083 0.000 1.005 575 T HN 0.195 nan 8.240 nan 0.000 0.423 576 M N 2.447 121.925 119.600 -0.203 0.000 2.184 576 M HA 0.228 4.708 4.480 0.001 0.000 0.296 576 M C -2.031 174.060 176.300 -0.348 0.000 1.165 576 M CA -2.144 52.907 55.300 -0.415 0.000 1.175 576 M CB -0.364 31.774 32.600 -0.770 0.000 1.392 576 M HN 0.098 nan 8.290 nan 0.000 0.457 577 P HA 0.238 nan 4.420 nan 0.000 0.279 577 P C -1.118 176.125 177.300 -0.095 0.000 1.282 577 P CA -0.481 62.532 63.100 -0.146 0.000 0.788 577 P CB 0.967 32.588 31.700 -0.131 0.000 1.139 578 C N -0.634 118.684 119.300 0.030 0.000 2.985 578 C HA 0.481 4.942 4.460 0.001 0.000 0.332 578 C C -0.726 174.384 174.990 0.200 0.000 1.164 578 C CA -0.026 59.079 59.018 0.145 0.000 1.347 578 C CB 1.192 29.047 27.740 0.192 0.000 1.764 578 C HN 0.579 nan 8.230 nan 0.000 0.489 579 S N 2.588 118.464 115.700 0.293 0.000 2.478 579 S HA 0.768 5.238 4.470 0.001 0.000 0.312 579 S C -0.262 174.545 174.600 0.345 0.000 1.094 579 S CA -0.389 58.029 58.200 0.364 0.000 1.081 579 S CB 1.667 65.091 63.200 0.373 0.000 1.007 579 S HN 1.022 nan 8.310 nan 0.000 0.475 580 S N 2.611 118.528 115.700 0.361 0.000 2.798 580 S HA 0.922 5.392 4.470 0.001 0.000 0.312 580 S C -1.167 173.613 174.600 0.300 0.000 1.122 580 S CA -0.728 57.652 58.200 0.300 0.000 0.949 580 S CB 1.383 64.719 63.200 0.226 0.000 1.235 580 S HN 0.778 nan 8.310 nan 0.000 0.552 581 L N 0.044 121.401 121.223 0.224 0.000 2.735 581 L HA 0.666 5.007 4.340 0.001 0.000 0.258 581 L C -1.686 175.244 176.870 0.101 0.000 0.920 581 L CA -0.009 54.919 54.840 0.147 0.000 0.958 581 L CB 1.576 43.681 42.059 0.076 0.000 1.499 581 L HN 1.029 nan 8.230 nan 0.000 0.441 582 E N 5.473 125.712 120.200 0.065 0.000 2.466 582 E HA 0.502 4.852 4.350 0.001 0.000 0.308 582 E C -1.587 174.993 176.600 -0.033 0.000 0.933 582 E CA -0.483 55.924 56.400 0.012 0.000 0.800 582 E CB 1.113 30.803 29.700 -0.016 0.000 1.434 582 E HN 0.724 nan 8.360 nan 0.000 0.389 583 I N 1.025 121.598 120.570 0.005 0.000 2.562 583 I HA 0.573 4.743 4.170 0.001 0.000 0.301 583 I C -0.349 175.879 176.117 0.185 0.000 1.003 583 I CA -1.130 60.202 61.300 0.053 0.000 1.127 583 I CB 1.694 39.705 38.000 0.017 0.000 1.304 583 I HN 0.283 nan 8.210 nan 0.000 0.446 584 N N 5.610 124.480 118.700 0.284 0.000 2.439 584 N HA 0.231 4.971 4.740 0.001 0.000 0.243 584 N C 0.759 176.473 175.510 0.341 0.000 1.088 584 N CA -0.627 52.687 53.050 0.440 0.000 0.940 584 N CB 0.580 39.324 38.487 0.429 0.000 1.180 584 N HN 0.807 nan 8.380 nan 0.000 0.505 585 I N 0.975 121.694 120.570 0.248 0.000 3.241 585 I HA 0.160 4.330 4.170 0.001 0.000 0.280 585 I C 1.564 177.837 176.117 0.260 0.000 1.320 585 I CA 0.281 61.734 61.300 0.255 0.000 1.413 585 I CB -0.378 37.658 38.000 0.060 0.000 1.060 585 I HN 0.428 nan 8.210 nan 0.000 0.500 586 G N 2.839 111.740 108.800 0.168 0.000 2.545 586 G HA2 -0.198 3.763 3.960 0.001 0.000 0.217 586 G HA3 -0.198 3.763 3.960 0.001 0.000 0.217 586 G C -0.380 174.554 174.900 0.056 0.000 1.218 586 G CA 1.161 46.304 45.100 0.071 0.000 0.787 586 G HN 0.409 nan 8.290 nan 0.000 0.571 587 P HA -0.040 nan 4.420 nan 0.000 0.223 587 P C 0.993 178.140 177.300 -0.255 0.000 1.144 587 P CA 0.647 63.658 63.100 -0.150 0.000 0.783 587 P CB -0.146 31.402 31.700 -0.252 0.000 0.771 588 F N -1.791 118.151 119.950 -0.013 0.000 2.780 588 F HA 0.072 4.599 4.527 0.000 0.000 0.299 588 F C 1.568 177.351 175.800 -0.028 0.000 1.146 588 F CA 0.008 57.992 58.000 -0.026 0.000 1.428 588 F CB -0.541 38.432 39.000 -0.044 0.000 1.115 588 F HN -0.137 nan 8.300 nan 0.000 0.583 589 L N 0.000 121.280 121.223 0.095 0.000 2.949 589 L HA 0.000 4.340 4.340 0.001 0.000 0.249 589 L CA 0.000 54.872 54.840 0.054 0.000 0.813 589 L CB 0.000 42.075 42.059 0.027 0.000 0.961 589 L HN 0.000 nan 8.230 nan 0.000 0.502