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 2gc4_1_M DATA FIRST_RESID 5 DATA SEQUENCE EAETQAQETQ GQAAARAAAA DLAAGQDDEP RILEAPAPDA RRVYVNDPAH DATA SEQUENCE FAAVTQQFVI DGEAGRVIGM IDGGFLPNPV VADDGSFIAH ASTVFSRIAR DATA SEQUENCE GERTDYVEVF DPVTLLPTAD IELPDAPRFL VGTYPWMTSL TPDGKTLLFY DATA SEQUENCE QFSPAPAVGV VDLEGKAFKR MLDVPDcYHI FPTAPDTFFM HcRDGSLAKV DATA SEQUENCE AFGTEGTPEI THTEVFHPED EFLINHPAYS QKAGRLVWPT YTGKIHQIDL DATA SEQUENCE SSGDAKFLPA VEALTEAERA DGWRPGGWQQ VAYHRALDRI YLLVDQRDEW DATA SEQUENCE RHKTASRFVV VLDAKTGERL AKFEMGHEID SINVSQDEKP LLYALSTGDK DATA SEQUENCE TLYIHDAESG EELRSVNQLG HGPQVITTAD MG 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 5 E HA 0.000 nan 4.350 nan 0.000 0.291 5 E C 0.000 176.585 176.600 -0.025 0.000 1.382 5 E CA 0.000 56.385 56.400 -0.024 0.000 0.976 5 E CB 0.000 29.687 29.700 -0.021 0.000 0.812 6 A N 1.497 124.297 122.820 -0.033 0.000 2.324 6 A HA 0.627 4.947 4.320 -0.000 0.000 0.330 6 A C -0.807 176.753 177.584 -0.039 0.000 1.165 6 A CA -0.283 51.736 52.037 -0.030 0.000 0.813 6 A CB 0.974 19.956 19.000 -0.029 0.000 1.197 6 A HN 0.066 nan 8.150 nan 0.000 0.484 7 E N 1.105 121.285 120.200 -0.033 0.000 2.158 7 E HA 0.425 4.775 4.350 -0.000 0.000 0.271 7 E C -0.091 176.487 176.600 -0.036 0.000 0.911 7 E CA -0.551 55.826 56.400 -0.037 0.000 0.767 7 E CB 1.752 31.434 29.700 -0.030 0.000 1.120 7 E HN 0.789 nan 8.360 nan 0.000 0.405 8 T N -0.607 113.917 114.554 -0.050 0.000 2.849 8 T HA 0.011 4.361 4.350 -0.000 0.000 0.284 8 T C 1.178 175.857 174.700 -0.036 0.000 1.004 8 T CA -0.452 61.620 62.100 -0.045 0.000 1.021 8 T CB 1.646 70.470 68.868 -0.073 0.000 1.013 8 T HN 0.576 nan 8.240 nan 0.000 0.527 9 Q N 0.933 120.717 119.800 -0.027 0.000 2.014 9 Q HA -0.190 4.150 4.340 -0.000 0.000 0.207 9 Q C 2.453 178.436 176.000 -0.029 0.000 0.993 9 Q CA 2.041 57.830 55.803 -0.024 0.000 0.850 9 Q CB -0.923 27.803 28.738 -0.019 0.000 0.916 9 Q HN 0.931 nan 8.270 nan 0.000 0.417 10 A N 0.775 123.574 122.820 -0.035 0.000 1.917 10 A HA -0.318 4.002 4.320 -0.000 0.000 0.219 10 A C 2.031 179.593 177.584 -0.037 0.000 1.182 10 A CA 1.964 53.979 52.037 -0.036 0.000 0.633 10 A CB -0.963 18.012 19.000 -0.042 0.000 0.819 10 A HN 0.705 nan 8.150 nan 0.000 0.448 11 Q N -0.504 119.270 119.800 -0.044 0.000 2.084 11 Q HA -0.258 4.082 4.340 -0.000 0.000 0.202 11 Q C 2.075 178.055 176.000 -0.033 0.000 0.978 11 Q CA 1.988 57.764 55.803 -0.044 0.000 0.844 11 Q CB -0.221 28.484 28.738 -0.054 0.000 0.898 11 Q HN 0.804 nan 8.270 nan 0.000 0.426 12 E N -0.819 119.363 120.200 -0.030 0.000 2.106 12 E HA -0.155 4.195 4.350 -0.000 0.000 0.192 12 E C 1.677 178.265 176.600 -0.021 0.000 0.984 12 E CA 1.626 58.012 56.400 -0.023 0.000 0.806 12 E CB 0.067 29.755 29.700 -0.021 0.000 0.750 12 E HN 0.391 nan 8.360 nan 0.000 0.458 13 T N 0.905 115.446 114.554 -0.022 0.000 2.708 13 T HA -0.176 4.174 4.350 -0.000 0.000 0.266 13 T C 1.795 176.484 174.700 -0.019 0.000 1.037 13 T CA 1.542 63.631 62.100 -0.019 0.000 1.146 13 T CB -0.191 68.665 68.868 -0.020 0.000 0.865 13 T HN 0.287 nan 8.240 nan 0.000 0.435 14 Q N 0.425 120.212 119.800 -0.021 0.000 2.050 14 Q HA -0.033 4.307 4.340 -0.000 0.000 0.202 14 Q C 2.791 178.781 176.000 -0.018 0.000 0.980 14 Q CA 1.461 57.252 55.803 -0.020 0.000 0.840 14 Q CB -0.586 28.138 28.738 -0.024 0.000 0.898 14 Q HN 0.581 nan 8.270 nan 0.000 0.424 15 G N 0.833 109.621 108.800 -0.019 0.000 2.440 15 G HA2 -0.300 3.660 3.960 -0.000 0.000 0.218 15 G HA3 -0.300 3.660 3.960 -0.000 0.000 0.218 15 G C 1.275 176.167 174.900 -0.014 0.000 1.154 15 G CA 0.804 45.894 45.100 -0.017 0.000 0.767 15 G HN 0.297 nan 8.290 nan 0.000 0.552 16 Q N 0.108 119.899 119.800 -0.014 0.000 2.079 16 Q HA 0.080 4.420 4.340 -0.000 0.000 0.200 16 Q C 3.031 179.025 176.000 -0.011 0.000 0.974 16 Q CA 1.131 56.927 55.803 -0.012 0.000 0.840 16 Q CB -0.248 28.483 28.738 -0.012 0.000 0.898 16 Q HN 0.470 nan 8.270 nan 0.000 0.430 17 A N 1.194 124.007 122.820 -0.012 0.000 1.902 17 A HA -0.147 4.173 4.320 -0.000 0.000 0.217 17 A C 2.299 179.877 177.584 -0.010 0.000 1.181 17 A CA 1.652 53.682 52.037 -0.011 0.000 0.623 17 A CB -0.826 18.167 19.000 -0.011 0.000 0.818 17 A HN 0.398 nan 8.150 nan 0.000 0.443 18 A N -0.165 122.649 122.820 -0.011 0.000 1.902 18 A HA 0.169 4.489 4.320 -0.000 0.000 0.217 18 A C 2.514 180.093 177.584 -0.008 0.000 1.181 18 A CA 2.086 54.118 52.037 -0.010 0.000 0.623 18 A CB -1.034 17.959 19.000 -0.011 0.000 0.818 18 A HN 1.068 nan 8.150 nan 0.000 0.443 19 A N -0.277 122.538 122.820 -0.009 0.000 1.902 19 A HA -0.182 4.138 4.320 -0.000 0.000 0.217 19 A C 2.234 179.814 177.584 -0.007 0.000 1.181 19 A CA 1.866 53.899 52.037 -0.008 0.000 0.623 19 A CB -0.493 18.502 19.000 -0.008 0.000 0.818 19 A HN 0.562 nan 8.150 nan 0.000 0.443 20 R N -0.429 120.066 120.500 -0.007 0.000 2.081 20 R HA -0.096 4.243 4.340 -0.000 0.000 0.235 20 R C 2.278 178.575 176.300 -0.006 0.000 1.131 20 R CA 1.535 57.631 56.100 -0.006 0.000 0.960 20 R CB -0.408 29.888 30.300 -0.007 0.000 0.856 20 R HN 0.443 nan 8.270 nan 0.000 0.436 21 A N 0.595 123.412 122.820 -0.006 0.000 1.873 21 A HA -0.069 4.251 4.320 -0.000 0.000 0.215 21 A C 2.378 179.959 177.584 -0.005 0.000 1.186 21 A CA 1.583 53.617 52.037 -0.005 0.000 0.616 21 A CB -0.935 18.061 19.000 -0.006 0.000 0.823 21 A HN 0.526 nan 8.150 nan 0.000 0.442 22 A N -0.056 122.761 122.820 -0.005 0.000 1.883 22 A HA 0.084 4.404 4.320 -0.000 0.000 0.217 22 A C 2.521 180.103 177.584 -0.004 0.000 1.186 22 A CA 2.415 54.449 52.037 -0.004 0.000 0.624 22 A CB -1.085 17.912 19.000 -0.005 0.000 0.822 22 A HN 1.084 nan 8.150 nan 0.000 0.444 23 A N -0.287 122.530 122.820 -0.004 0.000 1.877 23 A HA 0.177 4.497 4.320 -0.000 0.000 0.216 23 A C 2.538 180.120 177.584 -0.003 0.000 1.186 23 A CA 2.166 54.201 52.037 -0.004 0.000 0.620 23 A CB -1.096 17.902 19.000 -0.004 0.000 0.822 23 A HN 1.109 nan 8.150 nan 0.000 0.443 24 A N 0.005 122.823 122.820 -0.004 0.000 1.902 24 A HA -0.186 4.134 4.320 -0.000 0.000 0.217 24 A C 1.762 179.344 177.584 -0.003 0.000 1.181 24 A CA 1.973 54.008 52.037 -0.003 0.000 0.623 24 A CB -0.627 18.372 19.000 -0.003 0.000 0.818 24 A HN 0.460 nan 8.150 nan 0.000 0.443 25 D N -0.163 120.236 120.400 -0.003 0.000 2.097 25 D HA -0.132 4.508 4.640 -0.000 0.000 0.195 25 D C 1.920 178.218 176.300 -0.002 0.000 0.989 25 D CA 0.826 54.825 54.000 -0.002 0.000 0.827 25 D CB -0.402 40.397 40.800 -0.003 0.000 0.966 25 D HN 0.376 nan 8.370 nan 0.000 0.456 26 L N 0.545 121.767 121.223 -0.002 0.000 2.012 26 L HA -0.191 4.149 4.340 -0.000 0.000 0.210 26 L C 2.182 179.050 176.870 -0.002 0.000 1.073 26 L CA 1.524 56.363 54.840 -0.002 0.000 0.748 26 L CB -0.325 41.733 42.059 -0.002 0.000 0.891 26 L HN -0.010 nan 8.230 nan 0.000 0.431 27 A N -0.639 122.180 122.820 -0.002 0.000 2.019 27 A HA -0.083 4.237 4.320 -0.000 0.000 0.219 27 A C 2.157 179.740 177.584 -0.002 0.000 1.164 27 A CA 1.422 53.458 52.037 -0.002 0.000 0.644 27 A CB -0.525 18.474 19.000 -0.002 0.000 0.805 27 A HN 0.530 nan 8.150 nan 0.000 0.449 28 A N -1.968 120.851 122.820 -0.002 0.000 2.251 28 A HA 0.426 4.746 4.320 -0.000 0.000 0.209 28 A C 1.721 179.305 177.584 -0.001 0.000 1.187 28 A CA 1.132 53.168 52.037 -0.001 0.000 0.823 28 A CB -0.742 18.257 19.000 -0.002 0.000 0.846 28 A HN 1.811 nan 8.150 nan 0.000 0.486 29 G N -1.100 107.699 108.800 -0.001 0.000 2.141 29 G HA2 -0.237 3.723 3.960 -0.000 0.000 0.242 29 G HA3 -0.237 3.723 3.960 -0.000 0.000 0.242 29 G C -0.013 174.887 174.900 -0.001 0.000 0.982 29 G CA 0.224 45.323 45.100 -0.001 0.000 0.662 29 G HN 0.617 nan 8.290 nan 0.000 0.527 30 Q N 0.996 120.795 119.800 -0.001 0.000 2.288 30 Q HA 0.493 4.833 4.340 -0.000 0.000 0.254 30 Q C -0.132 175.868 176.000 -0.001 0.000 0.932 30 Q CA 0.110 55.913 55.803 -0.001 0.000 0.902 30 Q CB 0.878 29.615 28.738 -0.001 0.000 1.203 30 Q HN 0.637 nan 8.270 nan 0.000 0.415 31 D N 0.199 120.598 120.400 -0.001 0.000 2.326 31 D HA 0.236 4.876 4.640 -0.000 0.000 0.248 31 D C -0.912 175.387 176.300 -0.001 0.000 1.001 31 D CA -0.800 53.200 54.000 -0.001 0.000 0.961 31 D CB 0.907 41.706 40.800 -0.001 0.000 1.183 31 D HN 0.136 nan 8.370 nan 0.000 0.502 32 D N 0.266 120.665 120.400 -0.001 0.000 2.308 32 D HA 0.189 4.829 4.640 -0.000 0.000 0.251 32 D C -0.244 176.056 176.300 -0.001 0.000 1.127 32 D CA -0.115 53.884 54.000 -0.001 0.000 0.876 32 D CB 0.834 41.633 40.800 -0.001 0.000 1.176 32 D HN 0.584 nan 8.370 nan 0.000 0.446 33 E N 1.185 121.384 120.200 -0.001 0.000 2.731 33 E HA 0.409 4.759 4.350 -0.000 0.000 0.248 33 E C -2.557 174.043 176.600 -0.000 0.000 1.084 33 E CA -1.783 54.617 56.400 -0.000 0.000 0.776 33 E CB 0.487 30.187 29.700 0.000 0.000 1.404 33 E HN 0.034 nan 8.360 nan 0.000 0.395 34 P HA -0.008 nan 4.420 nan 0.000 0.265 34 P C -0.502 176.799 177.300 0.000 0.000 1.187 34 P CA 0.151 63.251 63.100 -0.000 0.000 0.766 34 P CB 0.491 32.191 31.700 -0.000 0.000 0.820 35 R N 0.979 121.480 120.500 0.000 0.000 2.781 35 R HA 0.614 4.953 4.340 -0.000 0.000 0.268 35 R C -1.209 175.092 176.300 0.001 0.000 1.047 35 R CA -1.051 55.050 56.100 0.001 0.000 0.925 35 R CB 0.837 31.138 30.300 0.002 0.000 1.246 35 R HN 0.189 nan 8.270 nan 0.000 0.456 36 I N 2.260 122.832 120.570 0.003 0.000 2.315 36 I HA 0.251 4.421 4.170 -0.000 0.000 0.291 36 I C 0.210 176.329 176.117 0.003 0.000 1.006 36 I CA -0.849 60.453 61.300 0.003 0.000 1.265 36 I CB 1.230 39.233 38.000 0.005 0.000 1.387 36 I HN 0.294 nan 8.210 nan 0.000 0.475 37 L N 6.048 127.271 121.223 0.000 0.000 2.466 37 L HA 0.338 4.678 4.340 -0.000 0.000 0.257 37 L C 0.332 177.204 176.870 0.002 0.000 1.189 37 L CA -0.399 54.441 54.840 0.000 0.000 0.813 37 L CB 0.414 42.471 42.059 -0.004 0.000 1.118 37 L HN 0.576 nan 8.230 nan 0.000 0.471 38 E N 0.290 120.492 120.200 0.004 0.000 2.195 38 E HA 0.529 4.879 4.350 -0.000 0.000 0.271 38 E C -0.808 175.793 176.600 0.002 0.000 0.923 38 E CA -0.867 55.537 56.400 0.007 0.000 0.790 38 E CB 2.109 31.817 29.700 0.012 0.000 1.155 38 E HN 0.651 nan 8.360 nan 0.000 0.402 39 A N 3.555 126.376 122.820 0.002 0.000 2.351 39 A HA 0.377 4.697 4.320 -0.000 0.000 0.257 39 A C -2.038 175.544 177.584 -0.003 0.000 1.087 39 A CA -1.078 50.954 52.037 -0.008 0.000 0.798 39 A CB -0.259 18.732 19.000 -0.015 0.000 1.033 39 A HN 0.377 nan 8.150 nan 0.000 0.488 40 P HA 0.266 nan 4.420 nan 0.000 0.270 40 P C -0.048 177.253 177.300 0.002 0.000 1.223 40 P CA 0.108 63.205 63.100 -0.004 0.000 0.785 40 P CB 0.476 32.170 31.700 -0.011 0.000 0.923 41 A N 3.457 126.283 122.820 0.010 0.000 2.561 41 A HA 0.225 4.545 4.320 -0.000 0.000 0.234 41 A C -1.884 175.710 177.584 0.017 0.000 1.055 41 A CA -0.673 51.376 52.037 0.019 0.000 0.756 41 A CB -1.706 17.306 19.000 0.020 0.000 0.986 41 A HN 0.418 nan 8.150 nan 0.000 0.505 42 P HA 0.258 nan 4.420 nan 0.000 0.268 42 P C -0.913 176.405 177.300 0.030 0.000 1.204 42 P CA 0.277 63.398 63.100 0.035 0.000 0.768 42 P CB 0.656 32.393 31.700 0.062 0.000 0.842 43 D N 0.881 121.295 120.400 0.025 0.000 2.652 43 D HA 0.450 5.090 4.640 -0.000 0.000 0.285 43 D C 0.647 176.970 176.300 0.039 0.000 1.173 43 D CA -0.982 53.035 54.000 0.028 0.000 0.981 43 D CB 0.121 40.933 40.800 0.021 0.000 1.440 43 D HN 0.116 nan 8.370 nan 0.000 0.485 44 A N -0.580 122.267 122.820 0.044 0.000 2.076 44 A HA -0.136 4.184 4.320 -0.000 0.000 0.220 44 A C 1.683 179.318 177.584 0.085 0.000 1.160 44 A CA 1.031 53.104 52.037 0.061 0.000 0.653 44 A CB -0.535 18.498 19.000 0.054 0.000 0.801 44 A HN 0.347 nan 8.150 nan 0.000 0.455 45 R N -0.535 120.007 120.500 0.070 0.000 2.317 45 R HA 0.106 4.446 4.340 -0.000 0.000 0.208 45 R C 0.723 177.059 176.300 0.061 0.000 0.914 45 R CA -0.016 56.143 56.100 0.098 0.000 1.060 45 R CB -0.575 29.766 30.300 0.070 0.000 1.015 45 R HN 0.575 nan 8.270 nan 0.000 0.498 46 R N 0.917 121.417 120.500 -0.000 0.000 2.490 46 R HA 0.250 4.590 4.340 -0.000 0.000 0.280 46 R C -0.875 175.318 176.300 -0.178 0.000 1.077 46 R CA 0.004 56.030 56.100 -0.123 0.000 1.065 46 R CB 0.980 31.191 30.300 -0.148 0.000 1.003 46 R HN -0.118 nan 8.270 nan 0.000 0.470 47 V N 5.512 125.211 119.914 -0.358 0.000 2.841 47 V HA 0.456 4.576 4.120 -0.000 0.000 0.310 47 V C -1.823 174.016 176.094 -0.424 0.000 1.090 47 V CA -0.693 61.371 62.300 -0.394 0.000 0.930 47 V CB 1.846 33.182 31.823 -0.812 0.000 1.014 47 V HN 0.757 nan 8.190 nan 0.000 0.425 48 Y N 4.232 124.437 120.300 -0.158 0.000 2.360 48 Y HA 0.737 5.287 4.550 -0.000 0.000 0.337 48 Y C 0.078 175.937 175.900 -0.068 0.000 1.039 48 Y CA -0.829 57.220 58.100 -0.086 0.000 1.109 48 Y CB 2.145 40.568 38.460 -0.061 0.000 1.201 48 Y HN 0.422 nan 8.280 nan 0.000 0.458 49 V N 3.559 123.548 119.914 0.126 0.000 2.444 49 V HA 0.362 4.482 4.120 -0.000 0.000 0.294 49 V C -0.863 175.337 176.094 0.175 0.000 1.022 49 V CA -1.096 61.264 62.300 0.100 0.000 0.850 49 V CB 1.577 33.414 31.823 0.023 0.000 0.992 49 V HN 0.736 nan 8.190 nan 0.000 0.426 50 N N 2.490 121.262 118.700 0.120 0.000 2.430 50 N HA 0.474 5.214 4.740 -0.000 0.000 0.292 50 N C -1.033 174.519 175.510 0.071 0.000 1.051 50 N CA -0.515 52.597 53.050 0.104 0.000 0.917 50 N CB 1.514 40.044 38.487 0.072 0.000 1.164 50 N HN 0.717 nan 8.380 nan 0.000 0.484 51 D N 2.080 122.529 120.400 0.082 0.000 2.472 51 D HA 0.268 4.908 4.640 -0.000 0.000 0.234 51 D C -1.912 174.373 176.300 -0.025 0.000 1.088 51 D CA -2.258 51.759 54.000 0.028 0.000 0.882 51 D CB 1.198 42.085 40.800 0.144 0.000 1.037 51 D HN 0.293 nan 8.370 nan 0.000 0.520 52 P HA 0.005 nan 4.420 nan 0.000 0.234 52 P C 0.330 177.546 177.300 -0.139 0.000 1.167 52 P CA 0.425 63.449 63.100 -0.125 0.000 0.763 52 P CB -0.033 31.550 31.700 -0.196 0.000 0.835 53 A N 0.886 123.593 122.820 -0.188 0.000 2.640 53 A HA -0.231 4.089 4.320 -0.000 0.000 0.300 53 A C 0.401 177.883 177.584 -0.171 0.000 1.499 53 A CA 1.098 53.039 52.037 -0.160 0.000 0.759 53 A CB -2.916 16.114 19.000 0.049 0.000 1.048 53 A HN 0.502 nan 8.150 nan 0.000 0.450 54 H N -2.619 116.305 119.070 -0.244 0.000 2.713 54 H HA -0.241 4.315 4.556 -0.000 0.000 0.311 54 H C 0.555 175.759 175.328 -0.206 0.000 1.175 54 H CA 1.670 57.497 56.048 -0.368 0.000 1.143 54 H CB -2.157 27.496 29.762 -0.181 0.000 1.434 54 H HN 1.614 nan 8.280 nan 0.000 0.418 55 F N -4.047 115.952 119.950 0.083 0.000 2.926 55 F HA -0.212 4.315 4.527 -0.000 0.000 0.288 55 F C 1.385 177.347 175.800 0.269 0.000 0.756 55 F CA 0.117 58.220 58.000 0.171 0.000 1.292 55 F CB -1.860 37.247 39.000 0.179 0.000 1.482 55 F HN 0.562 nan 8.300 nan 0.000 0.400 56 A N 0.292 123.287 122.820 0.293 0.000 2.406 56 A HA 0.676 4.996 4.320 -0.000 0.000 0.243 56 A C 1.499 179.256 177.584 0.288 0.000 1.082 56 A CA 0.261 52.418 52.037 0.199 0.000 0.786 56 A CB 0.394 19.438 19.000 0.074 0.000 1.029 56 A HN 0.952 nan 8.150 nan 0.000 0.495 57 A N 0.762 123.665 122.820 0.138 0.000 2.019 57 A HA 0.273 4.593 4.320 -0.000 0.000 0.219 57 A C 1.014 178.730 177.584 0.220 0.000 1.164 57 A CA 1.803 53.917 52.037 0.128 0.000 0.644 57 A CB -0.975 18.013 19.000 -0.019 0.000 0.805 57 A HN 1.931 nan 8.150 nan 0.000 0.449 58 V N -3.011 116.997 119.914 0.156 0.000 2.823 58 V HA 0.800 4.920 4.120 -0.000 0.000 0.312 58 V C -0.418 175.745 176.094 0.115 0.000 1.072 58 V CA -0.037 62.344 62.300 0.134 0.000 0.937 58 V CB 1.362 33.243 31.823 0.097 0.000 1.013 58 V HN 0.516 nan 8.190 nan 0.000 0.430 59 T N 1.438 116.047 114.554 0.091 0.000 2.831 59 T HA 0.805 5.155 4.350 -0.000 0.000 0.287 59 T C -0.819 173.896 174.700 0.026 0.000 1.070 59 T CA -0.814 61.326 62.100 0.066 0.000 1.010 59 T CB 2.220 71.114 68.868 0.042 0.000 1.264 59 T HN 0.874 nan 8.240 nan 0.000 0.532 60 Q N -0.196 119.600 119.800 -0.006 0.000 2.416 60 Q HA 0.507 4.847 4.340 -0.000 0.000 0.281 60 Q C -1.550 174.355 176.000 -0.159 0.000 1.067 60 Q CA -0.815 54.904 55.803 -0.141 0.000 0.809 60 Q CB 3.064 31.632 28.738 -0.284 0.000 1.418 60 Q HN 0.752 nan 8.270 nan 0.000 0.411 61 Q N 1.631 121.277 119.800 -0.257 0.000 2.353 61 Q HA 0.540 4.880 4.340 -0.000 0.000 0.268 61 Q C -1.672 174.137 176.000 -0.319 0.000 1.045 61 Q CA -0.524 55.202 55.803 -0.129 0.000 0.811 61 Q CB 1.116 29.836 28.738 -0.031 0.000 1.305 61 Q HN 0.507 nan 8.270 nan 0.000 0.447 62 F N 2.228 122.157 119.950 -0.036 0.000 2.427 62 F HA 0.412 4.939 4.527 -0.000 0.000 0.346 62 F C -0.312 175.419 175.800 -0.115 0.000 1.120 62 F CA -0.792 57.161 58.000 -0.078 0.000 1.033 62 F CB 1.748 40.688 39.000 -0.099 0.000 1.126 62 F HN 0.213 nan 8.300 nan 0.000 0.462 63 V N 5.468 125.365 119.914 -0.029 0.000 2.383 63 V HA 0.442 4.562 4.120 -0.000 0.000 0.275 63 V C 0.049 176.027 176.094 -0.193 0.000 1.036 63 V CA -0.573 61.581 62.300 -0.243 0.000 0.889 63 V CB 1.069 32.746 31.823 -0.243 0.000 0.985 63 V HN 0.558 nan 8.190 nan 0.000 0.459 64 I N 3.275 123.682 120.570 -0.272 0.000 2.608 64 I HA 0.400 4.570 4.170 -0.000 0.000 0.295 64 I C -0.683 175.323 176.117 -0.186 0.000 1.049 64 I CA -0.627 60.562 61.300 -0.186 0.000 1.063 64 I CB 2.366 40.266 38.000 -0.166 0.000 1.248 64 I HN 0.491 nan 8.210 nan 0.000 0.424 65 D N 4.208 124.540 120.400 -0.112 0.000 2.380 65 D HA 0.198 4.838 4.640 -0.000 0.000 0.230 65 D C 1.133 177.417 176.300 -0.026 0.000 1.154 65 D CA -0.195 53.763 54.000 -0.070 0.000 0.859 65 D CB 1.642 42.413 40.800 -0.049 0.000 1.045 65 D HN 0.702 nan 8.370 nan 0.000 0.495 66 G N 3.576 112.389 108.800 0.022 0.000 2.448 66 G HA2 -0.241 3.719 3.960 -0.000 0.000 0.219 66 G HA3 -0.241 3.719 3.960 -0.000 0.000 0.219 66 G C 1.280 176.234 174.900 0.091 0.000 1.127 66 G CA 0.235 45.421 45.100 0.143 0.000 0.766 66 G HN 0.452 nan 8.290 nan 0.000 0.552 67 E N 0.604 120.831 120.200 0.046 0.000 2.072 67 E HA 0.008 4.358 4.350 -0.000 0.000 0.191 67 E C 2.731 179.333 176.600 0.002 0.000 0.985 67 E CA 1.114 57.525 56.400 0.019 0.000 0.801 67 E CB -0.175 29.531 29.700 0.011 0.000 0.750 67 E HN 0.361 nan 8.360 nan 0.000 0.452 68 A N -0.654 122.164 122.820 -0.005 0.000 2.169 68 A HA 0.324 4.644 4.320 -0.000 0.000 0.210 68 A C 1.403 178.973 177.584 -0.022 0.000 1.168 68 A CA 0.932 52.960 52.037 -0.015 0.000 0.813 68 A CB 0.113 19.102 19.000 -0.019 0.000 0.861 68 A HN 0.237 nan 8.150 nan 0.000 0.481 69 G N -0.234 108.555 108.800 -0.019 0.000 2.298 69 G HA2 -0.244 3.716 3.960 -0.000 0.000 0.287 69 G HA3 -0.244 3.716 3.960 -0.000 0.000 0.287 69 G C -0.001 174.868 174.900 -0.052 0.000 1.075 69 G CA 0.543 45.623 45.100 -0.034 0.000 0.960 69 G HN 0.815 nan 8.290 nan 0.000 0.502 70 R N -0.364 120.106 120.500 -0.050 0.000 2.628 70 R HA 0.576 4.915 4.340 -0.000 0.000 0.288 70 R C -0.117 176.151 176.300 -0.054 0.000 0.980 70 R CA -0.831 55.239 56.100 -0.050 0.000 0.891 70 R CB 1.733 32.010 30.300 -0.039 0.000 1.188 70 R HN 0.120 nan 8.270 nan 0.000 0.450 71 V N 6.854 126.743 119.914 -0.042 0.000 2.470 71 V HA 0.087 4.207 4.120 -0.000 0.000 0.276 71 V C 1.324 177.402 176.094 -0.026 0.000 1.040 71 V CA 0.147 62.436 62.300 -0.019 0.000 1.008 71 V CB 0.906 32.752 31.823 0.038 0.000 0.990 71 V HN 0.748 nan 8.190 nan 0.000 0.477 72 I N 1.896 122.437 120.570 -0.048 0.000 4.018 72 I HA 0.700 4.870 4.170 -0.000 0.000 0.337 72 I C 0.727 176.813 176.117 -0.051 0.000 1.327 72 I CA 0.171 61.441 61.300 -0.050 0.000 1.100 72 I CB 0.447 38.408 38.000 -0.064 0.000 1.025 72 I HN 0.639 nan 8.210 nan 0.000 0.396 73 G N 1.074 109.842 108.800 -0.055 0.000 2.368 73 G HA2 0.564 4.524 3.960 -0.000 0.000 0.293 73 G HA3 0.564 4.524 3.960 -0.000 0.000 0.293 73 G C -1.626 173.213 174.900 -0.101 0.000 1.467 73 G CA -0.782 44.276 45.100 -0.070 0.000 0.804 73 G HN 0.039 nan 8.290 nan 0.000 0.535 74 M N -0.611 118.900 119.600 -0.149 0.000 2.618 74 M HA 0.693 5.173 4.480 -0.000 0.000 0.281 74 M C -1.578 174.570 176.300 -0.255 0.000 1.267 74 M CA -0.696 54.453 55.300 -0.252 0.000 0.845 74 M CB 2.831 35.235 32.600 -0.326 0.000 1.732 74 M HN 0.373 nan 8.290 nan 0.000 0.461 75 I N 0.642 121.034 120.570 -0.298 0.000 2.607 75 I HA 0.306 4.476 4.170 -0.000 0.000 0.290 75 I C -1.163 174.845 176.117 -0.182 0.000 1.129 75 I CA -0.438 60.668 61.300 -0.322 0.000 1.042 75 I CB 2.113 39.797 38.000 -0.527 0.000 1.242 75 I HN 0.458 nan 8.210 nan 0.000 0.421 76 D N 4.195 124.553 120.400 -0.070 0.000 2.256 76 D HA 0.618 5.258 4.640 -0.000 0.000 0.250 76 D C 0.117 176.522 176.300 0.175 0.000 1.093 76 D CA 0.119 54.136 54.000 0.028 0.000 0.882 76 D CB 1.999 42.828 40.800 0.049 0.000 1.185 76 D HN 0.713 nan 8.370 nan 0.000 0.437 77 G N -0.167 108.707 108.800 0.122 0.000 2.658 77 G HA2 0.605 4.565 3.960 -0.000 0.000 0.292 77 G HA3 0.605 4.565 3.960 -0.000 0.000 0.292 77 G C 0.097 175.040 174.900 0.071 0.000 1.320 77 G CA -0.644 44.507 45.100 0.086 0.000 0.933 77 G HN 0.422 nan 8.290 nan 0.000 0.476 78 G N -0.914 107.903 108.800 0.029 0.000 2.829 78 G HA2 0.426 4.386 3.960 -0.000 0.000 0.173 78 G HA3 0.426 4.386 3.960 -0.000 0.000 0.173 78 G C -0.712 174.292 174.900 0.173 0.000 1.476 78 G CA -0.641 44.534 45.100 0.125 0.000 1.072 78 G HN 0.478 nan 8.290 nan 0.000 0.577 79 F N 1.323 121.306 119.950 0.053 0.000 2.471 79 F HA 0.392 4.919 4.527 -0.000 0.000 0.365 79 F C 1.006 176.813 175.800 0.013 0.000 1.095 79 F CA -1.127 56.924 58.000 0.086 0.000 1.174 79 F CB -0.413 38.721 39.000 0.223 0.000 1.105 79 F HN 0.258 nan 8.300 nan 0.000 0.535 80 L N 6.448 127.475 121.223 -0.327 0.000 3.879 80 L HA -0.214 4.126 4.340 -0.000 0.000 0.481 80 L C -2.095 174.615 176.870 -0.266 0.000 1.232 80 L CA -0.438 54.176 54.840 -0.377 0.000 0.736 80 L CB -1.524 40.136 42.059 -0.665 0.000 1.511 80 L HN 0.444 nan 8.230 nan 0.000 0.830 81 P HA 0.061 nan 4.420 nan 0.000 0.274 81 P C -0.501 176.709 177.300 -0.150 0.000 1.237 81 P CA -0.167 62.789 63.100 -0.240 0.000 0.793 81 P CB 0.775 32.268 31.700 -0.345 0.000 0.977 82 N N 2.221 120.843 118.700 -0.131 0.000 2.469 82 N HA 0.295 5.035 4.740 -0.000 0.000 0.253 82 N C -2.354 173.153 175.510 -0.005 0.000 0.970 82 N CA -1.300 51.714 53.050 -0.059 0.000 0.940 82 N CB 1.702 40.159 38.487 -0.050 0.000 1.128 82 N HN 0.355 nan 8.380 nan 0.000 0.503 83 P HA 0.286 nan 4.420 nan 0.000 0.284 83 P C -0.750 176.512 177.300 -0.064 0.000 1.258 83 P CA -0.459 62.650 63.100 0.014 0.000 0.824 83 P CB 1.714 33.413 31.700 -0.003 0.000 1.038 84 V N -0.501 119.373 119.914 -0.067 0.000 3.012 84 V HA 0.693 4.813 4.120 -0.000 0.000 0.307 84 V C -1.008 174.980 176.094 -0.177 0.000 1.166 84 V CA -0.976 61.257 62.300 -0.112 0.000 0.974 84 V CB 1.968 33.778 31.823 -0.021 0.000 1.040 84 V HN 0.263 nan 8.190 nan 0.000 0.428 85 V N 2.432 122.199 119.914 -0.244 0.000 2.577 85 V HA 0.825 4.945 4.120 -0.000 0.000 0.303 85 V C 0.662 176.558 176.094 -0.330 0.000 1.042 85 V CA -0.148 61.940 62.300 -0.353 0.000 0.872 85 V CB 1.733 33.289 31.823 -0.445 0.000 0.998 85 V HN 1.508 nan 8.190 nan 0.000 0.423 86 A N 2.444 124.922 122.820 -0.570 0.000 2.488 86 A HA 0.235 4.555 4.320 -0.000 0.000 0.249 86 A C 1.052 178.489 177.584 -0.246 0.000 1.083 86 A CA -0.095 51.621 52.037 -0.535 0.000 0.768 86 A CB -0.011 18.392 19.000 -0.995 0.000 1.017 86 A HN 0.888 nan 8.150 nan 0.000 0.496 87 D N 1.280 121.609 120.400 -0.117 0.000 2.263 87 D HA -0.148 4.492 4.640 -0.000 0.000 0.208 87 D C 0.991 177.270 176.300 -0.035 0.000 0.971 87 D CA 1.779 55.752 54.000 -0.044 0.000 0.867 87 D CB 0.039 40.838 40.800 -0.001 0.000 0.929 87 D HN 0.810 nan 8.370 nan 0.000 0.492 88 D N -1.124 119.246 120.400 -0.050 0.000 2.340 88 D HA 0.084 4.724 4.640 -0.000 0.000 0.220 88 D C 1.493 177.784 176.300 -0.016 0.000 1.039 88 D CA 0.739 54.729 54.000 -0.016 0.000 0.866 88 D CB -0.221 40.584 40.800 0.007 0.000 0.913 88 D HN 0.144 nan 8.370 nan 0.000 0.523 89 G N 0.391 109.160 108.800 -0.051 0.000 2.148 89 G HA2 -0.369 3.591 3.960 -0.000 0.000 0.254 89 G HA3 -0.369 3.591 3.960 -0.000 0.000 0.254 89 G C 1.159 176.061 174.900 0.003 0.000 0.981 89 G CA 0.927 46.016 45.100 -0.017 0.000 0.670 89 G HN 0.657 nan 8.290 nan 0.000 0.528 90 S N -0.816 114.877 115.700 -0.011 0.000 2.453 90 S HA 0.491 4.961 4.470 -0.000 0.000 0.231 90 S C 0.697 175.442 174.600 0.243 0.000 1.005 90 S CA 1.230 59.499 58.200 0.116 0.000 0.949 90 S CB -0.263 63.053 63.200 0.193 0.000 0.774 90 S HN 1.928 nan 8.310 nan 0.000 0.510 91 F N -1.485 118.495 119.950 0.050 0.000 2.858 91 F HA 0.756 5.283 4.527 0.000 0.000 0.319 91 F C -1.809 174.011 175.800 0.033 0.000 1.166 91 F CA -1.936 56.095 58.000 0.053 0.000 0.899 91 F CB 0.666 39.691 39.000 0.041 0.000 1.332 91 F HN -0.104 nan 8.300 nan 0.000 0.461 92 I N 1.430 122.208 120.570 0.346 0.000 2.828 92 I HA 0.899 5.069 4.170 -0.000 0.000 0.302 92 I C -0.607 175.746 176.117 0.395 0.000 1.101 92 I CA -1.056 60.346 61.300 0.169 0.000 1.031 92 I CB 2.044 40.088 38.000 0.073 0.000 1.231 92 I HN 1.099 nan 8.210 nan 0.000 0.427 93 A N 3.223 126.194 122.820 0.251 0.000 2.586 93 A HA 0.828 5.148 4.320 -0.000 0.000 0.290 93 A C -1.607 176.084 177.584 0.178 0.000 1.086 93 A CA -0.505 51.669 52.037 0.228 0.000 0.665 93 A CB 1.816 20.963 19.000 0.246 0.000 1.279 93 A HN 0.967 nan 8.150 nan 0.000 0.423 94 H N -1.282 117.867 119.070 0.133 0.000 3.064 94 H HA 0.780 5.336 4.556 -0.000 0.000 0.352 94 H C -0.706 174.566 175.328 -0.093 0.000 1.260 94 H CA -0.650 55.413 56.048 0.025 0.000 1.160 94 H CB 1.717 31.504 29.762 0.041 0.000 1.879 94 H HN 1.211 nan 8.280 nan 0.000 0.544 95 A N 2.138 124.930 122.820 -0.047 0.000 2.260 95 A HA 0.536 4.856 4.320 -0.000 0.000 0.314 95 A C -0.273 177.028 177.584 -0.472 0.000 1.257 95 A CA -0.240 51.633 52.037 -0.273 0.000 0.871 95 A CB 1.223 20.066 19.000 -0.261 0.000 1.166 95 A HN 0.645 nan 8.150 nan 0.000 0.522 96 S N 0.855 116.083 115.700 -0.787 0.000 2.667 96 S HA 0.865 5.335 4.470 -0.000 0.000 0.292 96 S C -0.557 173.640 174.600 -0.672 0.000 1.126 96 S CA -0.339 57.367 58.200 -0.824 0.000 0.881 96 S CB 1.746 64.316 63.200 -1.050 0.000 1.132 96 S HN 0.766 nan 8.310 nan 0.000 0.492 97 T N 1.680 116.070 114.554 -0.273 0.000 2.921 97 T HA 0.641 4.990 4.350 -0.000 0.000 0.297 97 T C -0.794 173.889 174.700 -0.028 0.000 1.013 97 T CA -0.530 61.499 62.100 -0.118 0.000 0.990 97 T CB 1.193 70.021 68.868 -0.067 0.000 1.023 97 T HN 0.927 nan 8.240 nan 0.000 0.447 98 V N 0.235 120.056 119.914 -0.154 0.000 3.141 98 V HA 0.944 5.064 4.120 -0.000 0.000 0.312 98 V C -1.633 174.115 176.094 -0.577 0.000 1.157 98 V CA -1.220 60.983 62.300 -0.163 0.000 1.041 98 V CB 1.849 33.684 31.823 0.019 0.000 1.071 98 V HN 0.741 nan 8.190 nan 0.000 0.441 99 F N 0.161 120.123 119.950 0.020 0.000 2.588 99 F HA 0.615 5.142 4.527 -0.000 0.000 0.314 99 F C 1.505 177.295 175.800 -0.017 0.000 1.069 99 F CA -0.095 57.900 58.000 -0.009 0.000 0.931 99 F CB 2.478 41.456 39.000 -0.038 0.000 1.260 99 F HN 0.689 nan 8.300 nan 0.000 0.465 100 S N 0.426 116.213 115.700 0.144 0.000 2.423 100 S HA 0.007 4.477 4.470 -0.000 0.000 0.231 100 S C 0.905 175.544 174.600 0.065 0.000 1.014 100 S CA 0.807 59.049 58.200 0.069 0.000 0.965 100 S CB -0.113 63.112 63.200 0.042 0.000 0.785 100 S HN 0.514 nan 8.310 nan 0.000 0.495 101 R N 0.579 121.128 120.500 0.082 0.000 2.835 101 R HA 0.492 4.832 4.340 -0.000 0.000 0.290 101 R C -0.096 176.217 176.300 0.021 0.000 1.410 101 R CA -0.115 56.006 56.100 0.036 0.000 1.590 101 R CB -0.571 29.736 30.300 0.010 0.000 1.288 101 R HN 0.360 nan 8.270 nan 0.000 0.637 102 I N -0.144 120.458 120.570 0.052 0.000 4.823 102 I HA -0.488 3.682 4.170 -0.000 0.000 0.040 102 I C 1.187 177.295 176.117 -0.015 0.000 0.632 102 I CA 2.567 63.885 61.300 0.031 0.000 0.503 102 I CB -1.184 36.804 38.000 -0.020 0.000 0.507 102 I HN 0.439 nan 8.210 nan 0.000 0.153 103 A N 1.172 123.880 122.820 -0.187 0.000 2.545 103 A HA 0.565 4.885 4.320 -0.000 0.000 0.263 103 A C 0.618 177.782 177.584 -0.699 0.000 1.202 103 A CA 0.429 52.148 52.037 -0.532 0.000 0.959 103 A CB 0.014 18.759 19.000 -0.425 0.000 1.124 103 A HN 0.577 nan 8.150 nan 0.000 0.543 104 R N -2.785 117.512 120.500 -0.337 0.000 2.831 104 R HA 0.772 5.112 4.340 -0.000 0.000 0.266 104 R C 0.452 176.758 176.300 0.010 0.000 1.051 104 R CA -0.308 55.666 56.100 -0.210 0.000 0.943 104 R CB 0.246 30.457 30.300 -0.150 0.000 1.228 104 R HN 1.173 nan 8.270 nan 0.000 0.467 105 G N 0.604 109.431 108.800 0.045 0.000 2.512 105 G HA2 -0.196 3.764 3.960 -0.000 0.000 0.210 105 G HA3 -0.196 3.764 3.960 -0.000 0.000 0.210 105 G C -1.170 173.818 174.900 0.146 0.000 1.295 105 G CA -0.414 44.735 45.100 0.082 0.000 0.934 105 G HN 0.705 nan 8.290 nan 0.000 0.554 106 E N 0.603 120.865 120.200 0.104 0.000 2.376 106 E HA 0.336 4.686 4.350 -0.000 0.000 0.266 106 E C 0.851 177.491 176.600 0.066 0.000 1.009 106 E CA -0.048 56.396 56.400 0.074 0.000 0.902 106 E CB 0.726 30.439 29.700 0.023 0.000 0.972 106 E HN 0.574 nan 8.360 nan 0.000 0.439 107 R N 2.323 122.835 120.500 0.019 0.000 2.368 107 R HA 0.258 4.598 4.340 -0.000 0.000 0.302 107 R C -1.039 175.139 176.300 -0.204 0.000 1.002 107 R CA -0.168 55.800 56.100 -0.219 0.000 0.929 107 R CB 1.007 31.235 30.300 -0.120 0.000 1.073 107 R HN 0.356 nan 8.270 nan 0.000 0.464 108 T N 3.689 118.077 114.554 -0.276 0.000 2.840 108 T HA 0.231 4.581 4.350 -0.000 0.000 0.287 108 T C -1.418 173.247 174.700 -0.057 0.000 0.991 108 T CA -0.762 61.260 62.100 -0.130 0.000 0.964 108 T CB 1.371 70.179 68.868 -0.100 0.000 0.954 108 T HN 0.511 nan 8.240 nan 0.000 0.438 109 D N 2.638 123.002 120.400 -0.061 0.000 2.168 109 D HA 0.583 5.223 4.640 -0.000 0.000 0.246 109 D C -0.538 175.757 176.300 -0.010 0.000 1.050 109 D CA 0.005 53.941 54.000 -0.106 0.000 0.857 109 D CB 1.128 41.800 40.800 -0.213 0.000 1.169 109 D HN 0.581 nan 8.370 nan 0.000 0.453 110 Y N -1.308 118.881 120.300 -0.186 0.000 2.670 110 Y HA 0.709 5.259 4.550 -0.000 0.000 0.334 110 Y C -1.610 174.227 175.900 -0.104 0.000 1.185 110 Y CA -1.318 56.701 58.100 -0.136 0.000 1.053 110 Y CB 0.670 39.074 38.460 -0.094 0.000 1.298 110 Y HN 0.067 nan 8.280 nan 0.000 0.459 111 V N 1.587 121.493 119.914 -0.013 0.000 2.540 111 V HA 0.450 4.570 4.120 -0.000 0.000 0.302 111 V C -0.754 175.389 176.094 0.082 0.000 1.035 111 V CA -0.742 61.540 62.300 -0.030 0.000 0.873 111 V CB 1.529 33.350 31.823 -0.003 0.000 0.992 111 V HN 0.819 nan 8.190 nan 0.000 0.428 112 E N 2.580 122.830 120.200 0.084 0.000 2.199 112 E HA 0.668 5.018 4.350 -0.000 0.000 0.269 112 E C -1.531 174.829 176.600 -0.400 0.000 0.899 112 E CA -0.549 55.758 56.400 -0.156 0.000 0.772 112 E CB 2.591 32.198 29.700 -0.155 0.000 1.155 112 E HN 0.457 nan 8.360 nan 0.000 0.408 113 V N 4.052 123.658 119.914 -0.513 0.000 2.513 113 V HA 0.480 4.600 4.120 -0.000 0.000 0.299 113 V C -0.823 174.947 176.094 -0.540 0.000 1.035 113 V CA -0.625 61.454 62.300 -0.369 0.000 0.889 113 V CB 0.875 32.522 31.823 -0.292 0.000 0.988 113 V HN 0.514 nan 8.190 nan 0.000 0.440 114 F N 1.473 121.432 119.950 0.014 0.000 2.546 114 F HA 0.417 4.944 4.527 -0.000 0.000 0.320 114 F C 0.301 176.145 175.800 0.072 0.000 1.076 114 F CA -0.841 57.170 58.000 0.020 0.000 0.928 114 F CB 1.384 40.377 39.000 -0.012 0.000 1.189 114 F HN 0.453 nan 8.300 nan 0.000 0.465 115 D N 4.457 125.001 120.400 0.241 0.000 2.390 115 D HA 0.070 4.710 4.640 -0.000 0.000 0.249 115 D C -1.623 174.786 176.300 0.181 0.000 1.144 115 D CA -1.559 52.545 54.000 0.173 0.000 0.880 115 D CB 1.695 42.566 40.800 0.118 0.000 1.182 115 D HN 0.226 nan 8.370 nan 0.000 0.451 116 P HA -0.068 nan 4.420 nan 0.000 0.234 116 P C 1.070 178.427 177.300 0.096 0.000 1.167 116 P CA 0.325 63.510 63.100 0.142 0.000 0.763 116 P CB 0.698 32.480 31.700 0.136 0.000 0.835 117 V N -0.016 119.946 119.914 0.081 0.000 3.013 117 V HA -0.037 4.083 4.120 -0.000 0.000 0.238 117 V C 2.648 178.769 176.094 0.044 0.000 1.161 117 V CA 1.997 64.328 62.300 0.052 0.000 1.170 117 V CB -0.720 31.130 31.823 0.046 0.000 0.917 117 V HN 0.214 nan 8.190 nan 0.000 0.478 118 T N -2.909 111.679 114.554 0.057 0.000 3.051 118 T HA 0.069 4.419 4.350 -0.000 0.000 0.255 118 T C 1.110 175.845 174.700 0.058 0.000 1.085 118 T CA 0.307 62.436 62.100 0.050 0.000 1.109 118 T CB 0.263 69.163 68.868 0.052 0.000 0.921 118 T HN 0.112 nan 8.240 nan 0.000 0.488 119 L N -0.379 120.895 121.223 0.085 0.000 4.496 119 L HA -0.083 4.257 4.340 -0.000 0.000 0.419 119 L C -0.220 176.763 176.870 0.189 0.000 1.139 119 L CA 0.159 55.053 54.840 0.091 0.000 0.975 119 L CB -1.930 40.123 42.059 -0.009 0.000 2.099 119 L HN 0.374 nan 8.230 nan 0.000 0.818 120 L N 0.453 121.784 121.223 0.181 0.000 2.395 120 L HA 0.432 4.772 4.340 -0.000 0.000 0.269 120 L C -1.568 175.427 176.870 0.208 0.000 1.133 120 L CA -1.529 53.419 54.840 0.181 0.000 0.812 120 L CB 0.218 42.331 42.059 0.091 0.000 1.125 120 L HN -0.136 nan 8.230 nan 0.000 0.452 121 P HA 0.154 nan 4.420 nan 0.000 0.271 121 P C 0.337 177.564 177.300 -0.122 0.000 1.216 121 P CA 0.020 63.017 63.100 -0.171 0.000 0.771 121 P CB 0.555 32.145 31.700 -0.183 0.000 0.864 122 T N -0.553 113.895 114.554 -0.177 0.000 3.010 122 T HA 0.600 4.950 4.350 -0.000 0.000 0.257 122 T C 0.304 174.925 174.700 -0.132 0.000 1.020 122 T CA -0.167 61.866 62.100 -0.110 0.000 0.938 122 T CB 0.176 68.997 68.868 -0.079 0.000 1.049 122 T HN 0.473 nan 8.240 nan 0.000 0.522 123 A N 0.699 123.409 122.820 -0.184 0.000 2.577 123 A HA 0.605 4.925 4.320 -0.000 0.000 0.297 123 A C -2.159 175.337 177.584 -0.146 0.000 1.060 123 A CA -0.677 51.273 52.037 -0.144 0.000 0.697 123 A CB 1.470 20.384 19.000 -0.143 0.000 1.281 123 A HN 0.121 nan 8.150 nan 0.000 0.402 124 D N 2.378 122.730 120.400 -0.080 0.000 2.402 124 D HA 0.479 5.119 4.640 -0.000 0.000 0.252 124 D C -1.308 174.995 176.300 0.004 0.000 1.294 124 D CA 0.034 54.015 54.000 -0.031 0.000 0.948 124 D CB 0.794 41.553 40.800 -0.067 0.000 1.202 124 D HN 0.452 nan 8.370 nan 0.000 0.561 125 I N 2.695 123.294 120.570 0.047 0.000 2.330 125 I HA 0.232 4.402 4.170 -0.000 0.000 0.289 125 I C 0.669 176.833 176.117 0.078 0.000 1.001 125 I CA -0.742 60.592 61.300 0.056 0.000 1.193 125 I CB 1.718 39.756 38.000 0.064 0.000 1.345 125 I HN 0.215 nan 8.210 nan 0.000 0.461 126 E N 6.720 126.949 120.200 0.048 0.000 2.354 126 E HA 0.344 4.694 4.350 -0.000 0.000 0.269 126 E C -1.153 175.417 176.600 -0.049 0.000 1.036 126 E CA -0.487 55.925 56.400 0.020 0.000 0.876 126 E CB 0.940 30.632 29.700 -0.014 0.000 1.009 126 E HN 0.515 nan 8.360 nan 0.000 0.416 127 L N 6.350 127.494 121.223 -0.132 0.000 2.280 127 L HA 0.377 4.717 4.340 -0.000 0.000 0.287 127 L C -2.152 174.516 176.870 -0.337 0.000 1.023 127 L CA -2.381 52.269 54.840 -0.317 0.000 0.819 127 L CB 1.311 43.162 42.059 -0.345 0.000 1.212 127 L HN 0.453 nan 8.230 nan 0.000 0.420 128 P HA -0.023 nan 4.420 nan 0.000 0.262 128 P C -0.452 176.719 177.300 -0.216 0.000 1.182 128 P CA 0.194 63.115 63.100 -0.298 0.000 0.761 128 P CB 0.281 31.796 31.700 -0.309 0.000 0.795 129 D N 2.008 122.337 120.400 -0.119 0.000 2.723 129 D HA -0.230 4.410 4.640 -0.000 0.000 0.236 129 D C -0.017 176.249 176.300 -0.056 0.000 1.138 129 D CA 1.242 55.201 54.000 -0.069 0.000 0.676 129 D CB -1.530 39.242 40.800 -0.047 0.000 1.069 129 D HN 0.714 nan 8.370 nan 0.000 0.430 130 A N -0.415 122.359 122.820 -0.076 0.000 2.103 130 A HA -0.178 4.142 4.320 -0.000 0.000 0.269 130 A C -0.520 177.055 177.584 -0.016 0.000 1.346 130 A CA 0.912 52.913 52.037 -0.059 0.000 0.755 130 A CB -0.666 18.320 19.000 -0.024 0.000 1.146 130 A HN 0.367 nan 8.150 nan 0.000 0.330 131 P HA -0.010 nan 4.420 nan 0.000 0.245 131 P C 0.471 177.874 177.300 0.172 0.000 1.206 131 P CA 0.189 63.350 63.100 0.101 0.000 0.781 131 P CB 0.182 32.002 31.700 0.200 0.000 0.994 132 R N 0.312 120.827 120.500 0.026 0.000 2.623 132 R HA 0.135 4.475 4.340 -0.000 0.000 0.271 132 R C 0.004 176.438 176.300 0.223 0.000 1.043 132 R CA -0.280 55.847 56.100 0.046 0.000 1.083 132 R CB 0.041 30.264 30.300 -0.127 0.000 0.974 132 R HN 0.047 nan 8.270 nan 0.000 0.436 133 F N 4.705 124.716 119.950 0.101 0.000 2.390 133 F HA 0.215 4.742 4.527 -0.000 0.000 0.361 133 F C -0.489 175.323 175.800 0.020 0.000 1.124 133 F CA -1.235 56.841 58.000 0.127 0.000 1.149 133 F CB 0.235 39.393 39.000 0.263 0.000 1.160 133 F HN 0.289 nan 8.300 nan 0.000 0.501 134 L N 8.082 129.298 121.223 -0.011 0.000 2.295 134 L HA 0.502 4.841 4.340 -0.000 0.000 0.288 134 L C -0.254 176.275 176.870 -0.568 0.000 1.079 134 L CA -0.527 54.151 54.840 -0.269 0.000 0.830 134 L CB 0.633 42.663 42.059 -0.048 0.000 1.200 134 L HN 0.486 nan 8.230 nan 0.000 0.438 135 V N 2.348 121.834 119.914 -0.713 0.000 3.178 135 V HA 0.685 4.805 4.120 -0.000 0.000 0.302 135 V C 0.318 176.136 176.094 -0.461 0.000 1.262 135 V CA -0.455 61.401 62.300 -0.740 0.000 1.030 135 V CB 2.297 33.337 31.823 -1.304 0.000 1.074 135 V HN 0.689 nan 8.190 nan 0.000 0.438 136 G N 2.209 110.903 108.800 -0.177 0.000 2.368 136 G HA2 0.231 4.191 3.960 -0.000 0.000 0.233 136 G HA3 0.231 4.191 3.960 -0.000 0.000 0.233 136 G C 0.180 175.070 174.900 -0.017 0.000 1.267 136 G CA 0.595 45.802 45.100 0.179 0.000 0.873 136 G HN 1.086 nan 8.290 nan 0.000 0.539 137 T N 2.848 117.551 114.554 0.249 0.000 2.758 137 T HA 0.108 4.458 4.350 -0.000 0.000 0.281 137 T C -0.668 174.312 174.700 0.466 0.000 0.963 137 T CA 0.661 62.901 62.100 0.233 0.000 1.201 137 T CB -0.182 68.826 68.868 0.233 0.000 0.906 137 T HN 0.298 nan 8.240 nan 0.000 0.528 138 Y N 3.945 124.279 120.300 0.057 0.000 2.334 138 Y HA 0.335 4.885 4.550 -0.000 0.000 0.336 138 Y C -1.767 174.091 175.900 -0.070 0.000 0.960 138 Y CA -3.573 54.452 58.100 -0.124 0.000 1.164 138 Y CB 1.072 39.408 38.460 -0.207 0.000 1.155 138 Y HN 0.428 nan 8.280 nan 0.000 0.478 139 P HA -0.184 nan 4.420 nan 0.000 0.216 139 P C 0.423 177.456 177.300 -0.445 0.000 1.154 139 P CA 1.966 64.920 63.100 -0.243 0.000 0.865 139 P CB 0.104 31.590 31.700 -0.357 0.000 0.789 140 W N -2.103 119.285 121.300 0.147 0.000 3.433 140 W HA 0.195 4.855 4.660 -0.000 0.000 0.376 140 W C 1.367 177.872 176.519 -0.023 0.000 1.160 140 W CA -0.158 57.223 57.345 0.060 0.000 1.832 140 W CB -0.478 28.983 29.460 0.000 0.000 1.011 140 W HN -0.088 nan 8.180 nan 0.000 0.766 141 M N -0.436 119.228 119.600 0.106 0.000 2.428 141 M HA 0.185 4.665 4.480 -0.000 0.000 0.239 141 M C -0.072 176.320 176.300 0.152 0.000 1.121 141 M CA 0.885 56.250 55.300 0.109 0.000 1.019 141 M CB -0.298 32.387 32.600 0.141 0.000 1.485 141 M HN -0.341 nan 8.290 nan 0.000 0.484 142 T N 0.189 114.795 114.554 0.087 0.000 3.293 142 T HA 0.474 4.824 4.350 -0.000 0.000 0.320 142 T C -0.750 173.977 174.700 0.046 0.000 0.995 142 T CA -0.458 61.703 62.100 0.101 0.000 1.041 142 T CB 1.879 70.797 68.868 0.083 0.000 1.058 142 T HN 0.011 nan 8.240 nan 0.000 0.453 143 S N 2.303 118.066 115.700 0.105 0.000 2.588 143 S HA 0.775 5.245 4.470 -0.000 0.000 0.275 143 S C -1.355 173.359 174.600 0.189 0.000 1.130 143 S CA -0.861 57.442 58.200 0.171 0.000 0.855 143 S CB 1.546 64.980 63.200 0.391 0.000 1.116 143 S HN 0.397 nan 8.310 nan 0.000 0.472 144 L N 2.406 123.770 121.223 0.234 0.000 2.334 144 L HA 0.570 4.910 4.340 -0.000 0.000 0.275 144 L C 0.914 177.947 176.870 0.272 0.000 1.036 144 L CA -0.116 54.866 54.840 0.236 0.000 0.807 144 L CB 1.210 43.398 42.059 0.214 0.000 1.231 144 L HN 0.970 nan 8.230 nan 0.000 0.438 145 T N -0.092 114.612 114.554 0.250 0.000 2.868 145 T HA 0.275 4.625 4.350 -0.000 0.000 0.292 145 T C -1.936 172.896 174.700 0.220 0.000 1.028 145 T CA -1.430 60.822 62.100 0.254 0.000 1.059 145 T CB 0.597 69.606 68.868 0.236 0.000 0.991 145 T HN 0.439 nan 8.240 nan 0.000 0.531 146 P HA -0.109 nan 4.420 nan 0.000 0.218 146 P C 1.012 178.390 177.300 0.130 0.000 1.146 146 P CA 1.117 64.311 63.100 0.156 0.000 0.813 146 P CB -0.089 31.694 31.700 0.138 0.000 0.778 147 D N -1.895 118.585 120.400 0.133 0.000 2.355 147 D HA 0.043 4.683 4.640 -0.000 0.000 0.218 147 D C 1.470 177.862 176.300 0.154 0.000 1.004 147 D CA 0.811 54.883 54.000 0.120 0.000 0.880 147 D CB -1.232 39.628 40.800 0.100 0.000 0.911 147 D HN 0.189 nan 8.370 nan 0.000 0.528 148 G N 0.670 109.586 108.800 0.192 0.000 2.166 148 G HA2 -0.394 3.566 3.960 -0.000 0.000 0.260 148 G HA3 -0.394 3.566 3.960 -0.000 0.000 0.260 148 G C 0.948 176.025 174.900 0.295 0.000 0.986 148 G CA 0.673 45.947 45.100 0.291 0.000 0.683 148 G HN 0.491 nan 8.290 nan 0.000 0.527 149 K N -0.539 119.972 120.400 0.185 0.000 2.361 149 K HA 0.172 4.492 4.320 -0.000 0.000 0.194 149 K C 0.428 177.094 176.600 0.110 0.000 1.032 149 K CA 0.846 57.203 56.287 0.117 0.000 1.048 149 K CB 0.585 33.136 32.500 0.086 0.000 0.842 149 K HN 0.336 nan 8.250 nan 0.000 0.526 150 T N 1.169 115.817 114.554 0.156 0.000 2.886 150 T HA 0.400 4.750 4.350 -0.000 0.000 0.292 150 T C -1.360 173.445 174.700 0.175 0.000 1.012 150 T CA -0.657 61.537 62.100 0.158 0.000 0.982 150 T CB 2.081 71.069 68.868 0.200 0.000 1.018 150 T HN 0.014 nan 8.240 nan 0.000 0.451 151 L N 3.967 125.282 121.223 0.153 0.000 2.322 151 L HA 0.719 5.059 4.340 -0.000 0.000 0.281 151 L C -1.572 175.376 176.870 0.129 0.000 1.014 151 L CA -0.876 54.062 54.840 0.164 0.000 0.815 151 L CB 0.753 42.919 42.059 0.179 0.000 1.247 151 L HN 0.573 nan 8.230 nan 0.000 0.421 152 L N 5.555 126.820 121.223 0.071 0.000 2.329 152 L HA 0.602 4.942 4.340 -0.000 0.000 0.279 152 L C -0.829 176.061 176.870 0.034 0.000 1.014 152 L CA -0.649 54.135 54.840 -0.093 0.000 0.814 152 L CB 1.602 43.467 42.059 -0.324 0.000 1.257 152 L HN 0.576 nan 8.230 nan 0.000 0.424 153 F N 0.900 120.822 119.950 -0.048 0.000 2.588 153 F HA 0.585 5.111 4.527 -0.000 0.000 0.314 153 F C -1.190 174.649 175.800 0.064 0.000 1.069 153 F CA -1.279 56.735 58.000 0.024 0.000 0.931 153 F CB 1.053 40.076 39.000 0.039 0.000 1.260 153 F HN 0.261 nan 8.300 nan 0.000 0.465 154 Y N 2.301 122.721 120.300 0.199 0.000 2.334 154 Y HA 0.425 4.975 4.550 0.000 0.000 0.328 154 Y C -0.509 175.541 175.900 0.251 0.000 1.130 154 Y CA -0.477 57.694 58.100 0.119 0.000 1.163 154 Y CB 1.342 39.896 38.460 0.158 0.000 1.207 154 Y HN 0.847 nan 8.280 nan 0.000 0.471 155 Q N 5.765 125.152 119.800 -0.688 0.000 2.330 155 Q HA 0.220 4.560 4.340 -0.000 0.000 0.269 155 Q C -0.944 174.524 176.000 -0.887 0.000 1.022 155 Q CA -0.543 54.996 55.803 -0.439 0.000 0.796 155 Q CB 1.096 29.698 28.738 -0.227 0.000 1.271 155 Q HN 0.881 nan 8.270 nan 0.000 0.450 156 F N 2.452 121.976 119.950 -0.709 0.000 2.274 156 F HA 0.279 4.806 4.527 -0.000 0.000 0.288 156 F C 0.464 176.090 175.800 -0.290 0.000 1.069 156 F CA 0.512 58.128 58.000 -0.641 0.000 1.343 156 F CB 0.734 39.077 39.000 -1.095 0.000 1.089 156 F HN 0.467 nan 8.300 nan 0.000 0.517 157 S N 0.369 115.968 115.700 -0.169 0.000 2.566 157 S HA 0.432 4.902 4.470 -0.000 0.000 0.298 157 S C -1.841 172.708 174.600 -0.086 0.000 1.083 157 S CA -1.409 56.691 58.200 -0.166 0.000 0.978 157 S CB 1.448 64.671 63.200 0.039 0.000 1.073 157 S HN 0.083 nan 8.310 nan 0.000 0.491 158 P HA 0.271 nan 4.420 nan 0.000 0.241 158 P C -0.141 177.052 177.300 -0.179 0.000 1.191 158 P CA 0.252 63.284 63.100 -0.112 0.000 0.771 158 P CB 0.121 31.784 31.700 -0.061 0.000 0.929 159 A N 0.541 123.233 122.820 -0.212 0.000 2.574 159 A HA 0.617 4.937 4.320 -0.000 0.000 0.297 159 A C -3.029 174.382 177.584 -0.288 0.000 1.062 159 A CA -1.721 50.178 52.037 -0.230 0.000 0.686 159 A CB 1.037 19.948 19.000 -0.147 0.000 1.285 159 A HN -0.194 nan 8.150 nan 0.000 0.403 160 P HA 0.402 nan 4.420 nan 0.000 0.264 160 P C -0.294 176.840 177.300 -0.276 0.000 1.193 160 P CA 0.613 63.519 63.100 -0.323 0.000 0.763 160 P CB 1.087 32.674 31.700 -0.187 0.000 0.810 161 A N 2.991 125.574 122.820 -0.394 0.000 2.601 161 A HA 0.600 4.920 4.320 -0.000 0.000 0.291 161 A C -1.513 175.877 177.584 -0.324 0.000 1.075 161 A CA -0.561 51.314 52.037 -0.270 0.000 0.671 161 A CB 1.437 20.305 19.000 -0.220 0.000 1.277 161 A HN 0.265 nan 8.150 nan 0.000 0.417 162 V N 0.921 120.678 119.914 -0.261 0.000 2.483 162 V HA 0.653 4.773 4.120 -0.000 0.000 0.297 162 V C 0.747 176.519 176.094 -0.536 0.000 1.027 162 V CA -0.040 62.033 62.300 -0.377 0.000 0.855 162 V CB 1.676 33.324 31.823 -0.292 0.000 0.995 162 V HN 1.404 nan 8.190 nan 0.000 0.424 163 G N 3.388 111.600 108.800 -0.981 0.000 2.372 163 G HA2 0.525 4.485 3.960 -0.000 0.000 0.283 163 G HA3 0.525 4.485 3.960 -0.000 0.000 0.283 163 G C -0.717 173.834 174.900 -0.581 0.000 1.177 163 G CA -0.282 44.255 45.100 -0.937 0.000 0.842 163 G HN 0.553 nan 8.290 nan 0.000 0.503 164 V N 2.820 122.523 119.914 -0.352 0.000 2.347 164 V HA 0.356 4.476 4.120 -0.000 0.000 0.280 164 V C -0.136 175.879 176.094 -0.131 0.000 1.021 164 V CA -0.605 61.547 62.300 -0.246 0.000 0.847 164 V CB 1.387 33.049 31.823 -0.268 0.000 0.990 164 V HN 0.497 nan 8.190 nan 0.000 0.444 165 V N 3.631 123.582 119.914 0.061 0.000 2.448 165 V HA 0.372 4.492 4.120 -0.000 0.000 0.295 165 V C -0.353 175.788 176.094 0.079 0.000 1.025 165 V CA -0.603 61.776 62.300 0.131 0.000 0.859 165 V CB 2.024 34.000 31.823 0.254 0.000 0.988 165 V HN 0.914 nan 8.190 nan 0.000 0.431 166 D N 4.174 124.602 120.400 0.047 0.000 2.411 166 D HA 0.276 4.916 4.640 -0.000 0.000 0.225 166 D C 0.938 177.248 176.300 0.017 0.000 1.156 166 D CA -0.074 53.947 54.000 0.035 0.000 0.874 166 D CB 0.988 41.798 40.800 0.018 0.000 1.034 166 D HN 0.436 nan 8.370 nan 0.000 0.502 167 L N 2.616 123.839 121.223 0.001 0.000 2.201 167 L HA -0.037 4.303 4.340 -0.000 0.000 0.212 167 L C 2.192 179.007 176.870 -0.092 0.000 1.105 167 L CA 0.683 55.478 54.840 -0.074 0.000 0.775 167 L CB -0.179 41.790 42.059 -0.150 0.000 0.913 167 L HN 0.525 nan 8.230 nan 0.000 0.440 168 E N 0.718 120.890 120.200 -0.047 0.000 2.015 168 E HA -0.173 4.177 4.350 -0.000 0.000 0.191 168 E C 2.051 178.632 176.600 -0.030 0.000 0.991 168 E CA 1.238 57.615 56.400 -0.038 0.000 0.802 168 E CB -0.151 29.545 29.700 -0.007 0.000 0.759 168 E HN 0.405 nan 8.360 nan 0.000 0.447 169 G N 0.115 108.907 108.800 -0.014 0.000 2.920 169 G HA2 -0.114 3.846 3.960 -0.000 0.000 0.208 169 G HA3 -0.114 3.846 3.960 -0.000 0.000 0.208 169 G C -0.033 174.862 174.900 -0.008 0.000 1.159 169 G CA 0.173 45.269 45.100 -0.008 0.000 0.784 169 G HN 0.252 nan 8.290 nan 0.000 0.535 170 K N -1.020 119.369 120.400 -0.017 0.000 3.393 170 K HA -0.079 4.241 4.320 -0.000 0.000 0.272 170 K C -0.131 176.481 176.600 0.020 0.000 1.004 170 K CA 0.247 56.525 56.287 -0.015 0.000 0.764 170 K CB -1.667 30.815 32.500 -0.030 0.000 1.373 170 K HN 0.688 nan 8.250 nan 0.000 0.458 171 A N 0.757 123.603 122.820 0.044 0.000 2.589 171 A HA 0.624 4.944 4.320 -0.000 0.000 0.296 171 A C -1.143 176.519 177.584 0.130 0.000 1.062 171 A CA -0.900 51.188 52.037 0.085 0.000 0.686 171 A CB 0.807 19.842 19.000 0.059 0.000 1.282 171 A HN 0.274 nan 8.150 nan 0.000 0.404 172 F N 2.176 122.153 119.950 0.044 0.000 2.484 172 F HA 0.440 4.967 4.527 -0.000 0.000 0.360 172 F C 0.999 176.831 175.800 0.053 0.000 1.101 172 F CA 0.161 58.202 58.000 0.068 0.000 1.251 172 F CB 0.846 39.892 39.000 0.077 0.000 1.132 172 F HN 0.588 nan 8.300 nan 0.000 0.570 173 K N 5.055 124.987 120.400 -0.779 0.000 2.167 173 K HA 0.206 4.526 4.320 -0.000 0.000 0.214 173 K C -0.074 176.053 176.600 -0.788 0.000 1.024 173 K CA 0.564 56.512 56.287 -0.566 0.000 0.951 173 K CB 0.051 32.369 32.500 -0.303 0.000 0.907 173 K HN 0.814 nan 8.250 nan 0.000 0.459 174 R N -0.936 118.981 120.500 -0.972 0.000 2.741 174 R HA 0.404 4.744 4.340 -0.000 0.000 0.274 174 R C -0.975 175.123 176.300 -0.337 0.000 1.029 174 R CA -0.811 54.970 56.100 -0.531 0.000 0.880 174 R CB 0.536 30.705 30.300 -0.218 0.000 1.264 174 R HN -0.179 nan 8.270 nan 0.000 0.465 175 M N 1.701 121.275 119.600 -0.042 0.000 2.238 175 M HA 0.372 4.852 4.480 -0.000 0.000 0.350 175 M C -1.099 175.142 176.300 -0.098 0.000 1.138 175 M CA -1.045 54.235 55.300 -0.034 0.000 1.040 175 M CB 1.143 33.780 32.600 0.062 0.000 1.639 175 M HN 0.460 nan 8.290 nan 0.000 0.451 176 L N 3.689 124.820 121.223 -0.154 0.000 2.272 176 L HA 0.324 4.664 4.340 -0.000 0.000 0.289 176 L C 0.078 176.896 176.870 -0.088 0.000 1.032 176 L CA -0.091 54.679 54.840 -0.115 0.000 0.810 176 L CB 0.669 42.643 42.059 -0.141 0.000 1.205 176 L HN 0.497 nan 8.230 nan 0.000 0.422 177 D N 3.018 123.380 120.400 -0.063 0.000 2.348 177 D HA 0.375 5.015 4.640 -0.000 0.000 0.253 177 D C -0.029 176.242 176.300 -0.047 0.000 1.161 177 D CA 0.235 54.199 54.000 -0.062 0.000 0.876 177 D CB 1.735 42.506 40.800 -0.048 0.000 1.160 177 D HN 0.311 nan 8.370 nan 0.000 0.459 178 V N 0.415 120.301 119.914 -0.047 0.000 3.141 178 V HA 0.677 4.797 4.120 -0.000 0.000 0.312 178 V C -2.706 173.370 176.094 -0.029 0.000 1.157 178 V CA -2.126 60.159 62.300 -0.025 0.000 1.041 178 V CB 1.476 33.316 31.823 0.028 0.000 1.071 178 V HN 0.227 nan 8.190 nan 0.000 0.441 179 P HA 0.239 nan 4.420 nan 0.000 0.282 179 P C -0.716 176.565 177.300 -0.032 0.000 1.286 179 P CA -0.274 62.836 63.100 0.017 0.000 0.777 179 P CB 0.212 31.979 31.700 0.113 0.000 1.184 180 D N 0.226 120.613 120.400 -0.022 0.000 2.600 180 D HA 0.105 4.745 4.640 -0.000 0.000 0.226 180 D C -0.359 175.841 176.300 -0.166 0.000 1.119 180 D CA 0.449 54.400 54.000 -0.083 0.000 1.051 180 D CB -0.757 40.065 40.800 0.037 0.000 1.106 180 D HN 0.191 nan 8.370 nan 0.000 0.491 181 c N 1.037 119.419 118.600 -0.364 0.000 2.913 181 c HA 0.644 5.214 4.570 -0.000 0.000 0.322 181 c C -0.539 173.099 174.090 -0.754 0.000 1.292 181 c CA -0.906 55.242 56.329 -0.301 0.000 1.649 181 c CB 1.087 43.604 42.510 0.012 0.000 2.139 181 c HN 0.386 nan 8.230 nan 0.000 0.475 182 Y N -1.286 119.092 120.300 0.131 0.000 2.562 182 Y HA 0.629 5.179 4.550 -0.000 0.000 0.345 182 Y C -0.124 175.876 175.900 0.166 0.000 1.045 182 Y CA -0.393 57.655 58.100 -0.086 0.000 1.028 182 Y CB 0.640 39.124 38.460 0.039 0.000 1.297 182 Y HN 0.962 nan 8.280 nan 0.000 0.463 183 H N -0.077 118.953 119.070 -0.066 0.000 4.802 183 H HA -0.050 4.506 4.556 -0.000 0.000 0.266 183 H C -1.695 173.454 175.328 -0.299 0.000 0.545 183 H CA 0.188 56.149 56.048 -0.146 0.000 0.702 183 H CB -0.302 29.400 29.762 -0.100 0.000 0.906 183 H HN 0.646 nan 8.280 nan 0.000 0.310 184 I N 2.339 122.685 120.570 -0.373 0.000 2.468 184 I HA 0.279 4.449 4.170 -0.000 0.000 0.285 184 I C -0.806 175.062 176.117 -0.415 0.000 1.039 184 I CA -0.311 60.820 61.300 -0.282 0.000 1.074 184 I CB 0.943 38.810 38.000 -0.221 0.000 1.228 184 I HN 0.231 nan 8.210 nan 0.000 0.436 185 F N 6.849 126.875 119.950 0.126 0.000 2.359 185 F HA 0.460 4.987 4.527 -0.000 0.000 0.369 185 F C -2.446 173.416 175.800 0.103 0.000 1.084 185 F CA -2.786 55.057 58.000 -0.261 0.000 1.096 185 F CB 0.845 39.362 39.000 -0.804 0.000 1.335 185 F HN 0.159 nan 8.300 nan 0.000 0.457 186 P HA 0.191 nan 4.420 nan 0.000 0.276 186 P C 0.676 178.256 177.300 0.466 0.000 1.230 186 P CA -0.007 63.377 63.100 0.473 0.000 0.776 186 P CB 1.072 33.019 31.700 0.410 0.000 0.888 187 T N -0.570 114.235 114.554 0.419 0.000 2.975 187 T HA 0.622 4.972 4.350 -0.000 0.000 0.261 187 T C 0.374 175.215 174.700 0.236 0.000 0.984 187 T CA -0.036 62.265 62.100 0.336 0.000 0.911 187 T CB 0.256 69.344 68.868 0.367 0.000 1.127 187 T HN 0.475 nan 8.240 nan 0.000 0.514 188 A N 1.205 124.161 122.820 0.227 0.000 2.599 188 A HA 0.736 5.056 4.320 -0.000 0.000 0.290 188 A C -2.525 175.141 177.584 0.136 0.000 1.101 188 A CA -1.370 50.753 52.037 0.144 0.000 0.674 188 A CB 0.442 19.495 19.000 0.089 0.000 1.277 188 A HN -0.106 nan 8.150 nan 0.000 0.419 189 P HA -0.103 nan 4.420 nan 0.000 0.219 189 P C 0.121 177.382 177.300 -0.065 0.000 1.146 189 P CA 2.085 65.213 63.100 0.047 0.000 0.808 189 P CB 0.128 31.834 31.700 0.010 0.000 0.779 190 D N -3.782 116.508 120.400 -0.184 0.000 2.599 190 D HA 0.097 4.737 4.640 -0.000 0.000 0.249 190 D C -0.415 175.678 176.300 -0.346 0.000 1.313 190 D CA -0.193 53.425 54.000 -0.635 0.000 0.815 190 D CB -0.367 40.093 40.800 -0.567 0.000 1.077 190 D HN -0.102 nan 8.370 nan 0.000 0.492 191 T N 0.411 115.012 114.554 0.078 0.000 2.933 191 T HA 0.632 4.982 4.350 -0.000 0.000 0.305 191 T C -1.021 173.893 174.700 0.358 0.000 1.092 191 T CA -0.786 61.390 62.100 0.127 0.000 1.008 191 T CB 1.572 70.450 68.868 0.016 0.000 1.102 191 T HN 0.188 nan 8.240 nan 0.000 0.469 192 F N 0.222 120.254 119.950 0.137 0.000 2.668 192 F HA 0.885 5.412 4.527 -0.000 0.000 0.309 192 F C -2.265 173.555 175.800 0.034 0.000 1.117 192 F CA -1.789 56.327 58.000 0.193 0.000 0.951 192 F CB 0.881 40.003 39.000 0.202 0.000 1.323 192 F HN 0.408 nan 8.300 nan 0.000 0.451 193 F N 1.922 122.078 119.950 0.342 0.000 2.523 193 F HA 0.836 5.363 4.527 0.000 0.000 0.329 193 F C -0.060 176.005 175.800 0.443 0.000 1.061 193 F CA -0.935 57.223 58.000 0.265 0.000 0.967 193 F CB 2.282 41.400 39.000 0.197 0.000 1.218 193 F HN 0.410 nan 8.300 nan 0.000 0.480 194 M N 1.313 121.240 119.600 0.546 0.000 2.593 194 M HA 0.317 4.797 4.480 -0.000 0.000 0.290 194 M C -1.251 175.413 176.300 0.608 0.000 1.244 194 M CA -0.760 54.850 55.300 0.517 0.000 0.857 194 M CB 2.844 35.640 32.600 0.328 0.000 1.738 194 M HN 0.575 nan 8.290 nan 0.000 0.461 195 H N 0.903 120.328 119.070 0.590 0.000 2.476 195 H HA 0.474 5.030 4.556 -0.000 0.000 0.328 195 H C -1.557 174.043 175.328 0.454 0.000 1.073 195 H CA -0.593 55.781 56.048 0.543 0.000 1.229 195 H CB 1.057 31.165 29.762 0.577 0.000 1.432 195 H HN 0.786 nan 8.280 nan 0.000 0.477 196 c N 4.597 123.148 118.600 -0.082 0.000 2.335 196 c HA 0.246 4.816 4.570 -0.000 0.000 0.363 196 c C 2.147 176.134 174.090 -0.172 0.000 1.198 196 c CA -0.781 55.532 56.329 -0.027 0.000 2.279 196 c CB 1.126 43.714 42.510 0.129 0.000 2.334 196 c HN 0.965 nan 8.230 nan 0.000 0.559 197 R N 1.027 121.577 120.500 0.083 0.000 2.127 197 R HA -0.154 4.186 4.340 -0.000 0.000 0.238 197 R C 1.417 177.700 176.300 -0.027 0.000 1.134 197 R CA 2.363 58.513 56.100 0.083 0.000 0.975 197 R CB -0.303 30.105 30.300 0.180 0.000 0.865 197 R HN 0.935 nan 8.270 nan 0.000 0.447 198 D N -1.578 118.787 120.400 -0.059 0.000 2.371 198 D HA 0.004 4.644 4.640 -0.000 0.000 0.221 198 D C 1.101 177.263 176.300 -0.230 0.000 0.986 198 D CA 1.031 54.963 54.000 -0.113 0.000 0.899 198 D CB 0.075 40.810 40.800 -0.107 0.000 0.902 198 D HN 0.422 nan 8.370 nan 0.000 0.530 199 G N -0.347 108.271 108.800 -0.304 0.000 2.176 199 G HA2 -0.231 3.729 3.960 -0.000 0.000 0.232 199 G HA3 -0.231 3.729 3.960 -0.000 0.000 0.232 199 G C 0.322 174.967 174.900 -0.424 0.000 0.986 199 G CA 0.337 45.035 45.100 -0.670 0.000 0.643 199 G HN 0.842 nan 8.290 nan 0.000 0.522 200 S N -0.612 115.055 115.700 -0.055 0.000 2.722 200 S HA 0.881 5.351 4.470 -0.000 0.000 0.292 200 S C -0.299 174.573 174.600 0.452 0.000 1.135 200 S CA -0.889 57.454 58.200 0.239 0.000 1.003 200 S CB 2.518 65.856 63.200 0.230 0.000 1.067 200 S HN 0.719 nan 8.310 nan 0.000 0.546 201 L N 0.880 122.428 121.223 0.541 0.000 2.331 201 L HA 0.798 5.138 4.340 -0.000 0.000 0.275 201 L C 0.011 177.068 176.870 0.311 0.000 1.022 201 L CA -0.423 54.725 54.840 0.514 0.000 0.812 201 L CB 1.472 43.841 42.059 0.517 0.000 1.257 201 L HN 1.053 nan 8.230 nan 0.000 0.435 202 A N 3.361 126.288 122.820 0.178 0.000 2.342 202 A HA 0.622 4.942 4.320 -0.000 0.000 0.323 202 A C -0.792 176.637 177.584 -0.258 0.000 1.125 202 A CA -0.680 51.248 52.037 -0.181 0.000 0.785 202 A CB 0.844 19.652 19.000 -0.321 0.000 1.221 202 A HN 0.605 nan 8.150 nan 0.000 0.463 203 K N 2.222 122.339 120.400 -0.472 0.000 2.213 203 K HA 0.599 4.919 4.320 -0.000 0.000 0.270 203 K C -1.531 174.679 176.600 -0.650 0.000 1.002 203 K CA -0.330 55.424 56.287 -0.888 0.000 0.868 203 K CB 1.190 33.207 32.500 -0.805 0.000 1.093 203 K HN 0.423 nan 8.250 nan 0.000 0.454 204 V N 3.303 122.740 119.914 -0.795 0.000 2.407 204 V HA 0.498 4.618 4.120 -0.000 0.000 0.291 204 V C -0.578 175.203 176.094 -0.521 0.000 1.018 204 V CA -0.940 60.930 62.300 -0.717 0.000 0.842 204 V CB 1.240 32.375 31.823 -1.146 0.000 0.996 204 V HN 0.886 nan 8.190 nan 0.000 0.426 205 A N 6.176 128.845 122.820 -0.251 0.000 2.273 205 A HA 0.921 5.241 4.320 -0.000 0.000 0.315 205 A C -0.707 176.886 177.584 0.016 0.000 1.256 205 A CA -0.385 51.578 52.037 -0.123 0.000 0.851 205 A CB 0.424 19.338 19.000 -0.144 0.000 1.172 205 A HN 0.867 nan 8.150 nan 0.000 0.508 206 F N 1.273 121.170 119.950 -0.087 0.000 2.613 206 F HA 0.967 5.494 4.527 -0.000 0.000 0.342 206 F C 0.354 176.144 175.800 -0.016 0.000 1.066 206 F CA -1.113 56.864 58.000 -0.038 0.000 1.002 206 F CB 1.027 40.036 39.000 0.015 0.000 1.319 206 F HN 0.669 nan 8.300 nan 0.000 0.495 207 G N -0.706 108.149 108.800 0.092 0.000 2.818 207 G HA2 0.443 4.403 3.960 -0.000 0.000 0.286 207 G HA3 0.443 4.403 3.960 -0.000 0.000 0.286 207 G C -0.314 174.643 174.900 0.095 0.000 1.364 207 G CA -0.561 44.530 45.100 -0.015 0.000 0.938 207 G HN 0.715 nan 8.290 nan 0.000 0.490 208 T N -0.698 113.878 114.554 0.036 0.000 3.007 208 T HA 0.083 4.433 4.350 -0.000 0.000 0.270 208 T C 0.632 175.351 174.700 0.031 0.000 1.107 208 T CA 1.465 63.592 62.100 0.045 0.000 1.118 208 T CB -0.077 68.799 68.868 0.014 0.000 0.889 208 T HN 0.532 nan 8.240 nan 0.000 0.506 209 E N -1.194 119.022 120.200 0.026 0.000 2.390 209 E HA 0.483 4.833 4.350 -0.000 0.000 0.277 209 E C -0.128 176.482 176.600 0.017 0.000 0.939 209 E CA -0.120 56.289 56.400 0.016 0.000 0.769 209 E CB 1.692 31.395 29.700 0.006 0.000 1.251 209 E HN 0.176 nan 8.360 nan 0.000 0.450 210 G N 1.035 109.843 108.800 0.013 0.000 2.445 210 G HA2 -0.129 3.831 3.960 -0.000 0.000 0.212 210 G HA3 -0.129 3.831 3.960 -0.000 0.000 0.212 210 G C -0.680 174.227 174.900 0.013 0.000 1.217 210 G CA -0.239 44.867 45.100 0.010 0.000 1.002 210 G HN 0.668 nan 8.290 nan 0.000 0.574 211 T N 2.445 117.005 114.554 0.010 0.000 2.863 211 T HA 0.730 5.080 4.350 -0.000 0.000 0.285 211 T C -2.300 172.408 174.700 0.013 0.000 1.009 211 T CA -0.353 61.752 62.100 0.007 0.000 0.989 211 T CB 1.578 70.444 68.868 -0.003 0.000 1.004 211 T HN 0.738 nan 8.240 nan 0.000 0.455 212 P HA 0.280 nan 4.420 nan 0.000 0.279 212 P C -0.744 176.538 177.300 -0.030 0.000 1.239 212 P CA -0.441 62.668 63.100 0.015 0.000 0.789 212 P CB 0.751 32.463 31.700 0.019 0.000 0.933 213 E N 2.677 122.847 120.200 -0.050 0.000 2.194 213 E HA 0.282 4.632 4.350 -0.000 0.000 0.284 213 E C -0.761 175.765 176.600 -0.124 0.000 1.035 213 E CA -0.451 55.905 56.400 -0.073 0.000 0.836 213 E CB 0.271 29.927 29.700 -0.073 0.000 1.070 213 E HN 0.392 nan 8.360 nan 0.000 0.401 214 I N 4.519 125.022 120.570 -0.112 0.000 2.410 214 I HA 0.217 4.387 4.170 -0.000 0.000 0.286 214 I C -0.220 175.819 176.117 -0.131 0.000 1.009 214 I CA -0.632 60.569 61.300 -0.164 0.000 1.111 214 I CB 1.882 39.797 38.000 -0.141 0.000 1.262 214 I HN 0.474 nan 8.210 nan 0.000 0.443 215 T N 1.354 115.798 114.554 -0.185 0.000 2.876 215 T HA 0.508 4.858 4.350 -0.000 0.000 0.289 215 T C -0.557 174.059 174.700 -0.140 0.000 1.014 215 T CA -0.815 61.231 62.100 -0.090 0.000 0.986 215 T CB 1.671 70.505 68.868 -0.056 0.000 1.021 215 T HN 0.369 nan 8.240 nan 0.000 0.458 216 H N 1.469 120.549 119.070 0.017 0.000 2.502 216 H HA 0.531 5.087 4.556 -0.000 0.000 0.338 216 H C 0.818 176.211 175.328 0.108 0.000 1.155 216 H CA -0.424 55.662 56.048 0.064 0.000 1.237 216 H CB 2.083 31.875 29.762 0.050 0.000 1.534 216 H HN 0.952 nan 8.280 nan 0.000 0.523 217 T N -1.070 113.666 114.554 0.303 0.000 2.852 217 T HA 0.218 4.568 4.350 -0.000 0.000 0.281 217 T C 0.416 175.277 174.700 0.268 0.000 0.993 217 T CA -1.088 61.198 62.100 0.311 0.000 0.933 217 T CB 0.957 70.101 68.868 0.461 0.000 1.187 217 T HN 0.713 nan 8.240 nan 0.000 0.559 218 E N -0.068 120.279 120.200 0.245 0.000 2.392 218 E HA 0.403 4.753 4.350 -0.000 0.000 0.256 218 E C -0.746 175.881 176.600 0.046 0.000 1.145 218 E CA -1.077 55.385 56.400 0.103 0.000 0.929 218 E CB 0.459 30.195 29.700 0.058 0.000 0.998 218 E HN 0.375 nan 8.360 nan 0.000 0.442 219 V N 2.916 122.794 119.914 -0.060 0.000 2.521 219 V HA -0.043 4.077 4.120 -0.000 0.000 0.286 219 V C 0.331 176.265 176.094 -0.267 0.000 1.034 219 V CA 0.063 62.256 62.300 -0.179 0.000 1.045 219 V CB -0.409 31.271 31.823 -0.238 0.000 0.974 219 V HN 0.744 nan 8.190 nan 0.000 0.480 220 F N 3.277 122.915 119.950 -0.520 0.000 2.695 220 F HA 0.442 4.969 4.527 -0.000 0.000 0.303 220 F C 0.464 176.008 175.800 -0.427 0.000 1.091 220 F CA -0.506 57.111 58.000 -0.638 0.000 1.300 220 F CB -0.435 37.895 39.000 -1.117 0.000 1.071 220 F HN 0.665 nan 8.300 nan 0.000 0.578 221 H N -2.408 116.198 119.070 -0.774 0.000 3.046 221 H HA 0.718 5.274 4.556 -0.000 0.000 0.363 221 H C -3.375 171.696 175.328 -0.428 0.000 1.203 221 H CA -2.753 52.920 56.048 -0.625 0.000 1.169 221 H CB 0.661 29.869 29.762 -0.923 0.000 1.851 221 H HN -0.248 nan 8.280 nan 0.000 0.546 222 P HA 0.047 nan 4.420 nan 0.000 0.271 222 P C 0.467 177.679 177.300 -0.148 0.000 1.244 222 P CA -0.202 62.793 63.100 -0.175 0.000 0.793 222 P CB 0.892 32.506 31.700 -0.143 0.000 0.984 223 E N 0.247 120.352 120.200 -0.159 0.000 2.208 223 E HA -0.157 4.193 4.350 -0.000 0.000 0.193 223 E C 0.658 177.121 176.600 -0.229 0.000 0.988 223 E CA 0.924 57.252 56.400 -0.121 0.000 0.828 223 E CB -0.058 29.600 29.700 -0.071 0.000 0.763 223 E HN 0.499 nan 8.360 nan 0.000 0.478 224 D N -0.130 120.074 120.400 -0.328 0.000 2.342 224 D HA -0.031 4.609 4.640 -0.000 0.000 0.221 224 D C -0.123 175.588 176.300 -0.982 0.000 1.101 224 D CA 0.031 53.683 54.000 -0.580 0.000 0.837 224 D CB -0.075 40.577 40.800 -0.247 0.000 0.938 224 D HN 0.036 nan 8.370 nan 0.000 0.508 225 E N 0.283 119.998 120.200 -0.808 0.000 2.113 225 E HA 0.278 4.628 4.350 -0.000 0.000 0.273 225 E C -1.138 174.956 176.600 -0.842 0.000 0.924 225 E CA -0.734 55.261 56.400 -0.675 0.000 0.764 225 E CB 0.570 30.084 29.700 -0.310 0.000 1.104 225 E HN -0.106 nan 8.360 nan 0.000 0.406 226 F N 4.287 123.983 119.950 -0.425 0.000 2.405 226 F HA 0.292 4.819 4.527 -0.000 0.000 0.355 226 F C -0.195 175.296 175.800 -0.515 0.000 1.121 226 F CA -0.897 56.735 58.000 -0.613 0.000 1.112 226 F CB 0.483 38.820 39.000 -1.106 0.000 1.126 226 F HN 0.325 nan 8.300 nan 0.000 0.481 227 L N 4.982 126.006 121.223 -0.332 0.000 2.290 227 L HA 0.384 4.724 4.340 -0.000 0.000 0.284 227 L C 0.478 177.438 176.870 0.150 0.000 1.078 227 L CA -0.599 54.070 54.840 -0.284 0.000 0.815 227 L CB 0.470 41.880 42.059 -1.082 0.000 1.162 227 L HN 0.509 nan 8.230 nan 0.000 0.435 228 I N -0.060 120.756 120.570 0.409 0.000 3.112 228 I HA 0.099 4.269 4.170 -0.000 0.000 0.284 228 I C 0.913 177.240 176.117 0.350 0.000 1.227 228 I CA -0.085 61.467 61.300 0.421 0.000 1.369 228 I CB 0.441 38.657 38.000 0.360 0.000 1.376 228 I HN 0.520 nan 8.210 nan 0.000 0.608 229 N N 1.033 119.790 118.700 0.094 0.000 2.515 229 N HA -0.048 4.692 4.740 -0.000 0.000 0.185 229 N C -0.298 174.859 175.510 -0.589 0.000 1.109 229 N CA 0.839 53.690 53.050 -0.331 0.000 0.903 229 N CB -0.352 37.568 38.487 -0.946 0.000 0.969 229 N HN 0.655 nan 8.380 nan 0.000 0.450 230 H N -0.001 118.943 119.070 -0.210 0.000 2.317 230 H HA 0.283 4.839 4.556 -0.000 0.000 0.231 230 H C -2.180 173.060 175.328 -0.148 0.000 1.442 230 H CA -1.563 54.389 56.048 -0.160 0.000 1.336 230 H CB 0.728 30.376 29.762 -0.190 0.000 1.533 230 H HN 0.135 nan 8.280 nan 0.000 0.522 231 P HA 0.255 nan 4.420 nan 0.000 0.274 231 P C -0.365 176.850 177.300 -0.141 0.000 1.246 231 P CA -0.534 62.234 63.100 -0.553 0.000 0.795 231 P CB 1.414 32.117 31.700 -1.663 0.000 1.006 232 A N 1.851 124.616 122.820 -0.092 0.000 2.292 232 A HA 0.482 4.802 4.320 -0.000 0.000 0.319 232 A C -1.342 176.222 177.584 -0.034 0.000 1.206 232 A CA -0.378 51.719 52.037 0.099 0.000 0.835 232 A CB 0.113 19.212 19.000 0.166 0.000 1.164 232 A HN 0.567 nan 8.150 nan 0.000 0.505 233 Y N 2.281 122.494 120.300 -0.145 0.000 2.338 233 Y HA 0.547 5.097 4.550 -0.000 0.000 0.333 233 Y C -0.119 175.712 175.900 -0.115 0.000 0.968 233 Y CA -0.959 56.887 58.100 -0.423 0.000 1.123 233 Y CB 2.028 39.842 38.460 -1.077 0.000 1.165 233 Y HN 0.536 nan 8.280 nan 0.000 0.452 234 S N 5.817 121.167 115.700 -0.584 0.000 2.474 234 S HA 0.171 4.641 4.470 -0.000 0.000 0.320 234 S C 0.851 174.972 174.600 -0.798 0.000 1.067 234 S CA -0.444 57.513 58.200 -0.404 0.000 1.127 234 S CB 0.831 64.038 63.200 0.011 0.000 0.971 234 S HN 1.010 nan 8.310 nan 0.000 0.472 235 Q N 4.336 123.679 119.800 -0.762 0.000 2.084 235 Q HA -0.065 4.275 4.340 -0.000 0.000 0.202 235 Q C 1.494 177.370 176.000 -0.207 0.000 0.978 235 Q CA 1.537 57.018 55.803 -0.536 0.000 0.844 235 Q CB -0.012 28.652 28.738 -0.122 0.000 0.898 235 Q HN 0.692 nan 8.270 nan 0.000 0.426 236 K N -0.842 119.483 120.400 -0.125 0.000 2.362 236 K HA -0.054 4.266 4.320 -0.000 0.000 0.200 236 K C 1.318 177.888 176.600 -0.050 0.000 1.046 236 K CA 0.827 57.081 56.287 -0.054 0.000 0.952 236 K CB 0.196 32.677 32.500 -0.031 0.000 0.753 236 K HN 0.216 nan 8.250 nan 0.000 0.466 237 A N -0.185 122.587 122.820 -0.079 0.000 2.382 237 A HA 0.283 4.603 4.320 -0.000 0.000 0.228 237 A C 1.208 178.744 177.584 -0.081 0.000 1.217 237 A CA 0.483 52.497 52.037 -0.037 0.000 0.923 237 A CB 0.312 19.346 19.000 0.057 0.000 0.979 237 A HN 0.269 nan 8.150 nan 0.000 0.515 238 G N -0.198 108.517 108.800 -0.142 0.000 2.225 238 G HA2 -0.279 3.681 3.960 -0.000 0.000 0.267 238 G HA3 -0.279 3.681 3.960 -0.000 0.000 0.267 238 G C 0.176 175.002 174.900 -0.123 0.000 1.024 238 G CA 0.746 45.789 45.100 -0.095 0.000 0.784 238 G HN 0.705 nan 8.290 nan 0.000 0.507 239 R N -0.272 120.102 120.500 -0.210 0.000 2.338 239 R HA 0.721 5.061 4.340 -0.000 0.000 0.317 239 R C -0.361 175.777 176.300 -0.270 0.000 0.968 239 R CA -0.940 54.989 56.100 -0.286 0.000 0.849 239 R CB 0.726 30.753 30.300 -0.454 0.000 1.128 239 R HN 0.228 nan 8.270 nan 0.000 0.448 240 L N 5.526 126.588 121.223 -0.269 0.000 2.298 240 L HA 0.507 4.847 4.340 -0.000 0.000 0.284 240 L C -1.107 175.596 176.870 -0.278 0.000 1.013 240 L CA -1.002 53.648 54.840 -0.318 0.000 0.824 240 L CB 1.652 43.403 42.059 -0.513 0.000 1.221 240 L HN 0.441 nan 8.230 nan 0.000 0.418 241 V N 4.720 124.478 119.914 -0.261 0.000 2.328 241 V HA 0.295 4.415 4.120 -0.000 0.000 0.278 241 V C -0.773 175.306 176.094 -0.025 0.000 1.021 241 V CA -0.441 61.782 62.300 -0.129 0.000 0.838 241 V CB 1.431 33.176 31.823 -0.130 0.000 0.999 241 V HN 0.631 nan 8.190 nan 0.000 0.447 242 W N 8.504 129.776 121.300 -0.046 0.000 2.453 242 W HA 0.491 5.151 4.660 -0.000 0.000 0.310 242 W C -2.882 173.677 176.519 0.066 0.000 1.000 242 W CA -2.824 54.518 57.345 -0.004 0.000 1.367 242 W CB 2.174 31.618 29.460 -0.028 0.000 1.269 242 W HN 0.413 nan 8.180 nan 0.000 0.418 243 P HA 0.242 nan 4.420 nan 0.000 0.276 243 P C 0.174 177.646 177.300 0.285 0.000 1.244 243 P CA 0.333 63.593 63.100 0.266 0.000 0.801 243 P CB 1.325 33.149 31.700 0.207 0.000 1.006 244 T N -1.814 112.848 114.554 0.181 0.000 2.922 244 T HA 0.276 4.626 4.350 -0.000 0.000 0.281 244 T C 0.775 175.627 174.700 0.254 0.000 1.005 244 T CA -0.197 61.989 62.100 0.145 0.000 0.982 244 T CB 0.085 68.973 68.868 0.033 0.000 1.158 244 T HN 0.135 nan 8.240 nan 0.000 0.566 245 Y N 1.041 121.365 120.300 0.040 0.000 2.315 245 Y HA -0.026 4.524 4.550 -0.000 0.000 0.288 245 Y C 2.970 178.869 175.900 -0.002 0.000 1.154 245 Y CA 1.609 59.718 58.100 0.014 0.000 1.229 245 Y CB -1.204 37.235 38.460 -0.035 0.000 0.980 245 Y HN 0.901 nan 8.280 nan 0.000 0.540 246 T N -4.720 109.922 114.554 0.146 0.000 3.086 246 T HA 0.408 4.758 4.350 -0.000 0.000 0.250 246 T C 1.712 176.449 174.700 0.061 0.000 1.074 246 T CA 0.552 62.694 62.100 0.070 0.000 0.988 246 T CB 0.008 68.891 68.868 0.025 0.000 0.988 246 T HN 0.385 nan 8.240 nan 0.000 0.530 247 G N 1.468 110.315 108.800 0.078 0.000 2.176 247 G HA2 -0.245 3.715 3.960 -0.000 0.000 0.232 247 G HA3 -0.245 3.715 3.960 -0.000 0.000 0.232 247 G C -0.040 174.872 174.900 0.022 0.000 0.986 247 G CA 0.049 45.187 45.100 0.062 0.000 0.643 247 G HN 0.829 nan 8.290 nan 0.000 0.522 248 K N 0.732 121.128 120.400 -0.007 0.000 2.350 248 K HA 0.548 4.868 4.320 -0.000 0.000 0.279 248 K C 0.043 176.590 176.600 -0.088 0.000 1.027 248 K CA -0.352 55.887 56.287 -0.079 0.000 0.969 248 K CB 0.143 32.565 32.500 -0.130 0.000 0.954 248 K HN 0.250 nan 8.250 nan 0.000 0.474 249 I N 5.100 125.599 120.570 -0.118 0.000 2.355 249 I HA 0.175 4.345 4.170 -0.000 0.000 0.288 249 I C -0.172 175.875 176.117 -0.116 0.000 0.999 249 I CA -0.865 60.401 61.300 -0.056 0.000 1.163 249 I CB 1.206 39.208 38.000 0.003 0.000 1.316 249 I HN 0.560 nan 8.210 nan 0.000 0.454 250 H N 6.272 125.405 119.070 0.105 0.000 2.527 250 H HA 0.415 4.971 4.556 -0.000 0.000 0.321 250 H C -0.686 174.693 175.328 0.086 0.000 1.087 250 H CA -0.271 55.853 56.048 0.128 0.000 1.337 250 H CB 1.615 31.515 29.762 0.231 0.000 1.440 250 H HN 0.517 nan 8.280 nan 0.000 0.490 251 Q N 2.769 122.651 119.800 0.136 0.000 2.340 251 Q HA 0.406 4.746 4.340 -0.000 0.000 0.268 251 Q C -0.837 175.131 176.000 -0.054 0.000 1.031 251 Q CA -0.959 54.843 55.803 -0.001 0.000 0.804 251 Q CB 2.376 31.082 28.738 -0.055 0.000 1.286 251 Q HN 0.424 nan 8.270 nan 0.000 0.448 252 I N 1.567 122.028 120.570 -0.181 0.000 2.406 252 I HA 0.177 4.347 4.170 -0.000 0.000 0.290 252 I C -0.602 175.307 176.117 -0.347 0.000 0.999 252 I CA -0.567 60.528 61.300 -0.341 0.000 1.124 252 I CB 1.701 39.402 38.000 -0.498 0.000 1.289 252 I HN 0.432 nan 8.210 nan 0.000 0.441 253 D N 5.896 126.090 120.400 -0.342 0.000 2.317 253 D HA 0.361 5.001 4.640 -0.000 0.000 0.234 253 D C -0.020 176.089 176.300 -0.319 0.000 1.112 253 D CA -0.181 53.657 54.000 -0.270 0.000 0.840 253 D CB 1.165 41.852 40.800 -0.189 0.000 1.078 253 D HN 0.247 nan 8.370 nan 0.000 0.486 254 L N 3.070 124.120 121.223 -0.288 0.000 2.693 254 L HA 0.104 4.444 4.340 -0.000 0.000 0.235 254 L C 2.199 178.985 176.870 -0.140 0.000 1.127 254 L CA 0.321 54.975 54.840 -0.310 0.000 0.914 254 L CB -0.707 41.106 42.059 -0.410 0.000 1.193 254 L HN 0.555 nan 8.230 nan 0.000 0.502 255 S N -1.070 114.568 115.700 -0.104 0.000 2.440 255 S HA -0.202 4.268 4.470 -0.000 0.000 0.240 255 S C 2.002 176.585 174.600 -0.028 0.000 1.014 255 S CA 1.430 59.600 58.200 -0.049 0.000 0.980 255 S CB -0.527 62.645 63.200 -0.048 0.000 0.775 255 S HN 0.530 nan 8.310 nan 0.000 0.499 256 S N 0.096 115.771 115.700 -0.043 0.000 2.501 256 S HA 0.471 4.941 4.470 -0.000 0.000 0.220 256 S C 1.657 176.263 174.600 0.011 0.000 0.997 256 S CA 0.655 58.844 58.200 -0.018 0.000 0.919 256 S CB -0.284 62.898 63.200 -0.031 0.000 0.778 256 S HN 1.435 nan 8.310 nan 0.000 0.523 257 G N 0.263 109.080 108.800 0.029 0.000 2.253 257 G HA2 -0.118 3.842 3.960 -0.000 0.000 0.209 257 G HA3 -0.118 3.842 3.960 -0.000 0.000 0.209 257 G C -0.429 174.581 174.900 0.185 0.000 0.997 257 G CA 0.082 45.246 45.100 0.106 0.000 0.640 257 G HN 0.537 nan 8.290 nan 0.000 0.496 258 D N 0.504 120.955 120.400 0.085 0.000 2.433 258 D HA 0.642 5.282 4.640 -0.000 0.000 0.236 258 D C 0.340 176.580 176.300 -0.100 0.000 1.026 258 D CA 0.371 54.435 54.000 0.105 0.000 0.884 258 D CB 1.777 42.609 40.800 0.053 0.000 1.384 258 D HN 0.565 nan 8.370 nan 0.000 0.477 259 A N 1.600 124.323 122.820 -0.162 0.000 2.454 259 A HA 0.266 4.586 4.320 -0.000 0.000 0.260 259 A C 0.155 177.412 177.584 -0.545 0.000 1.106 259 A CA 0.097 51.829 52.037 -0.509 0.000 0.780 259 A CB 0.248 18.889 19.000 -0.600 0.000 1.044 259 A HN 0.413 nan 8.150 nan 0.000 0.498 260 K N 3.239 123.278 120.400 -0.602 0.000 2.413 260 K HA 0.503 4.823 4.320 -0.000 0.000 0.257 260 K C -1.794 174.489 176.600 -0.528 0.000 0.946 260 K CA -0.445 55.586 56.287 -0.425 0.000 0.823 260 K CB 0.649 33.017 32.500 -0.220 0.000 1.109 260 K HN 0.482 nan 8.250 nan 0.000 0.427 261 F N 4.886 124.777 119.950 -0.098 0.000 2.413 261 F HA 0.227 4.754 4.527 -0.000 0.000 0.359 261 F C 0.212 175.984 175.800 -0.047 0.000 1.122 261 F CA -0.702 57.241 58.000 -0.096 0.000 1.160 261 F CB 0.416 39.379 39.000 -0.062 0.000 1.146 261 F HN 0.305 nan 8.300 nan 0.000 0.514 262 L N 5.149 126.421 121.223 0.082 0.000 2.466 262 L HA 0.389 4.729 4.340 -0.000 0.000 0.257 262 L C -1.873 175.046 176.870 0.082 0.000 1.189 262 L CA -2.161 52.708 54.840 0.049 0.000 0.813 262 L CB -0.477 41.580 42.059 -0.003 0.000 1.118 262 L HN 0.365 nan 8.230 nan 0.000 0.471 263 P HA 0.214 nan 4.420 nan 0.000 0.268 263 P C -1.022 176.288 177.300 0.017 0.000 1.204 263 P CA -0.289 62.833 63.100 0.036 0.000 0.768 263 P CB 0.554 32.262 31.700 0.014 0.000 0.842 264 A N 2.986 125.806 122.820 -0.000 0.000 2.371 264 A HA 0.515 4.835 4.320 -0.000 0.000 0.257 264 A C 0.152 177.689 177.584 -0.077 0.000 1.089 264 A CA -0.174 51.814 52.037 -0.081 0.000 0.794 264 A CB 0.049 18.933 19.000 -0.194 0.000 1.029 264 A HN 0.483 nan 8.150 nan 0.000 0.488 265 V N -0.628 119.234 119.914 -0.087 0.000 2.962 265 V HA 0.687 4.807 4.120 -0.000 0.000 0.313 265 V C -0.615 175.434 176.094 -0.074 0.000 1.099 265 V CA -1.030 61.230 62.300 -0.066 0.000 0.971 265 V CB 2.009 33.804 31.823 -0.046 0.000 1.028 265 V HN 0.784 nan 8.190 nan 0.000 0.430 266 E N 1.973 122.135 120.200 -0.063 0.000 2.200 266 E HA 0.549 4.899 4.350 -0.000 0.000 0.283 266 E C 0.761 177.330 176.600 -0.052 0.000 1.015 266 E CA 0.117 56.482 56.400 -0.058 0.000 0.819 266 E CB 1.934 31.601 29.700 -0.056 0.000 1.081 266 E HN 0.946 nan 8.360 nan 0.000 0.397 267 A N 4.334 127.131 122.820 -0.038 0.000 2.072 267 A HA 0.072 4.392 4.320 -0.000 0.000 0.216 267 A C 0.888 178.436 177.584 -0.060 0.000 1.156 267 A CA 0.513 52.527 52.037 -0.038 0.000 0.701 267 A CB 0.171 19.169 19.000 -0.004 0.000 0.816 267 A HN 0.503 nan 8.150 nan 0.000 0.458 268 L N 0.759 121.949 121.223 -0.055 0.000 2.325 268 L HA 0.351 4.691 4.340 -0.000 0.000 0.278 268 L C 0.813 177.619 176.870 -0.107 0.000 1.023 268 L CA -0.740 54.047 54.840 -0.088 0.000 0.811 268 L CB 1.872 43.910 42.059 -0.034 0.000 1.249 268 L HN 0.311 nan 8.230 nan 0.000 0.431 269 T N -2.418 112.040 114.554 -0.161 0.000 2.766 269 T HA 0.107 4.456 4.350 -0.000 0.000 0.295 269 T C 1.000 175.632 174.700 -0.112 0.000 1.024 269 T CA -0.692 61.323 62.100 -0.141 0.000 1.018 269 T CB 1.045 69.807 68.868 -0.177 0.000 1.002 269 T HN 0.529 nan 8.240 nan 0.000 0.532 270 E N 0.892 121.040 120.200 -0.087 0.000 2.085 270 E HA -0.139 4.211 4.350 -0.000 0.000 0.194 270 E C 2.457 179.021 176.600 -0.061 0.000 0.994 270 E CA 1.644 58.008 56.400 -0.062 0.000 0.801 270 E CB -1.042 28.628 29.700 -0.051 0.000 0.743 270 E HN 0.835 nan 8.360 nan 0.000 0.453 271 A N 1.452 124.221 122.820 -0.085 0.000 1.902 271 A HA -0.209 4.111 4.320 -0.000 0.000 0.217 271 A C 2.075 179.607 177.584 -0.086 0.000 1.181 271 A CA 1.590 53.580 52.037 -0.079 0.000 0.623 271 A CB -0.457 18.482 19.000 -0.101 0.000 0.818 271 A HN 0.231 nan 8.150 nan 0.000 0.443 272 E N -0.440 119.645 120.200 -0.191 0.000 2.077 272 E HA -0.173 4.177 4.350 -0.000 0.000 0.193 272 E C 2.325 178.959 176.600 0.058 0.000 0.989 272 E CA 1.048 57.284 56.400 -0.272 0.000 0.800 272 E CB -0.194 29.139 29.700 -0.612 0.000 0.746 272 E HN 0.495 nan 8.360 nan 0.000 0.452 273 R N 0.420 120.930 120.500 0.016 0.000 2.096 273 R HA -0.059 4.281 4.340 -0.000 0.000 0.235 273 R C 2.336 178.675 176.300 0.064 0.000 1.127 273 R CA 1.054 57.189 56.100 0.059 0.000 0.968 273 R CB -0.279 30.029 30.300 0.014 0.000 0.861 273 R HN 0.109 nan 8.270 nan 0.000 0.440 274 A N 1.248 124.092 122.820 0.040 0.000 2.015 274 A HA -0.126 4.194 4.320 -0.000 0.000 0.219 274 A C 1.225 178.849 177.584 0.066 0.000 1.163 274 A CA 1.307 53.366 52.037 0.037 0.000 0.646 274 A CB -0.060 18.950 19.000 0.016 0.000 0.806 274 A HN 0.128 nan 8.150 nan 0.000 0.448 275 D N -0.972 119.502 120.400 0.123 0.000 2.319 275 D HA 0.269 4.909 4.640 -0.000 0.000 0.230 275 D C 1.196 177.588 176.300 0.153 0.000 1.094 275 D CA 0.971 55.070 54.000 0.165 0.000 0.856 275 D CB 0.032 40.988 40.800 0.260 0.000 0.915 275 D HN 0.565 nan 8.370 nan 0.000 0.517 276 G N 0.727 109.602 108.800 0.126 0.000 2.136 276 G HA2 -0.257 3.703 3.960 -0.000 0.000 0.242 276 G HA3 -0.257 3.703 3.960 -0.000 0.000 0.242 276 G C -0.213 174.698 174.900 0.018 0.000 0.989 276 G CA -0.457 44.668 45.100 0.042 0.000 0.682 276 G HN 0.152 nan 8.290 nan 0.000 0.522 277 W N 0.205 121.474 121.300 -0.052 0.000 2.218 277 W HA 0.773 5.433 4.660 -0.000 0.000 0.326 277 W C 1.031 177.529 176.519 -0.036 0.000 1.276 277 W CA -0.156 57.155 57.345 -0.057 0.000 1.210 277 W CB 0.602 30.011 29.460 -0.087 0.000 1.143 277 W HN 0.210 nan 8.180 nan 0.000 0.563 278 R N 3.015 123.610 120.500 0.159 0.000 2.680 278 R HA 0.335 4.675 4.340 -0.000 0.000 0.269 278 R C -2.544 173.826 176.300 0.117 0.000 1.026 278 R CA -1.875 54.289 56.100 0.107 0.000 0.889 278 R CB 2.380 32.698 30.300 0.030 0.000 1.241 278 R HN 0.126 nan 8.270 nan 0.000 0.463 279 P HA 0.290 nan 4.420 nan 0.000 0.274 279 P C -0.675 176.684 177.300 0.099 0.000 1.246 279 P CA -0.198 62.979 63.100 0.128 0.000 0.795 279 P CB 1.148 32.927 31.700 0.133 0.000 1.006 280 G N -1.505 107.362 108.800 0.112 0.000 2.655 280 G HA2 0.577 4.537 3.960 -0.000 0.000 0.296 280 G HA3 0.577 4.537 3.960 -0.000 0.000 0.296 280 G C -0.776 174.193 174.900 0.115 0.000 1.485 280 G CA 0.074 45.233 45.100 0.098 0.000 0.869 280 G HN 0.821 nan 8.290 nan 0.000 0.540 281 G N -0.209 108.666 108.800 0.125 0.000 2.247 281 G HA2 0.134 4.094 3.960 -0.000 0.000 0.229 281 G HA3 0.134 4.094 3.960 -0.000 0.000 0.229 281 G C 0.208 175.246 174.900 0.230 0.000 1.345 281 G CA 0.329 45.525 45.100 0.160 0.000 1.100 281 G HN 1.034 nan 8.290 nan 0.000 0.473 282 W N 0.243 121.498 121.300 -0.074 0.000 3.942 282 W HA 0.331 4.991 4.660 -0.000 0.000 0.234 282 W C 0.561 176.832 176.519 -0.414 0.000 2.184 282 W CA 0.440 57.631 57.345 -0.256 0.000 2.184 282 W CB 0.162 29.502 29.460 -0.200 0.000 1.620 282 W HN 0.462 nan 8.180 nan 0.000 0.510 283 Q N 2.452 122.166 119.800 -0.142 0.000 2.513 283 Q HA -0.023 4.317 4.340 -0.000 0.000 0.227 283 Q C 0.871 176.910 176.000 0.064 0.000 1.257 283 Q CA 0.252 56.007 55.803 -0.079 0.000 0.915 283 Q CB 0.672 29.470 28.738 0.100 0.000 1.507 283 Q HN 0.387 nan 8.270 nan 0.000 0.543 284 Q N 0.249 120.088 119.800 0.065 0.000 2.378 284 Q HA 0.039 4.379 4.340 -0.000 0.000 0.205 284 Q C 0.390 176.483 176.000 0.155 0.000 0.954 284 Q CA 0.431 56.308 55.803 0.123 0.000 0.901 284 Q CB 0.690 29.504 28.738 0.127 0.000 0.981 284 Q HN 0.320 nan 8.270 nan 0.000 0.483 285 V N -0.453 119.558 119.914 0.161 0.000 2.876 285 V HA 0.814 4.934 4.120 -0.000 0.000 0.312 285 V C -1.782 174.444 176.094 0.219 0.000 1.085 285 V CA -0.726 61.688 62.300 0.190 0.000 0.945 285 V CB 1.956 33.878 31.823 0.164 0.000 1.017 285 V HN 0.067 nan 8.190 nan 0.000 0.428 286 A N 4.728 127.715 122.820 0.279 0.000 2.498 286 A HA 0.859 5.179 4.320 -0.000 0.000 0.298 286 A C -2.099 175.745 177.584 0.433 0.000 1.075 286 A CA -0.523 51.693 52.037 0.298 0.000 0.714 286 A CB 1.799 20.917 19.000 0.197 0.000 1.299 286 A HN 1.366 nan 8.150 nan 0.000 0.407 287 Y N 0.759 121.201 120.300 0.237 0.000 2.373 287 Y HA 0.583 5.133 4.550 -0.000 0.000 0.336 287 Y C -0.790 175.251 175.900 0.234 0.000 0.979 287 Y CA -0.591 57.651 58.100 0.237 0.000 1.080 287 Y CB 1.575 40.105 38.460 0.117 0.000 1.190 287 Y HN 0.875 nan 8.280 nan 0.000 0.446 288 H N 5.897 124.723 119.070 -0.407 0.000 2.556 288 H HA 0.362 4.918 4.556 -0.000 0.000 0.310 288 H C 1.178 176.052 175.328 -0.757 0.000 1.057 288 H CA -0.171 55.668 56.048 -0.349 0.000 1.264 288 H CB 0.939 30.692 29.762 -0.016 0.000 1.404 288 H HN 0.875 nan 8.280 nan 0.000 0.462 289 R N 3.704 123.752 120.500 -0.753 0.000 2.070 289 R HA -0.149 4.191 4.340 -0.000 0.000 0.232 289 R C 1.840 178.016 176.300 -0.208 0.000 1.138 289 R CA 1.735 57.574 56.100 -0.435 0.000 0.936 289 R CB -0.412 29.776 30.300 -0.187 0.000 0.839 289 R HN 0.697 nan 8.270 nan 0.000 0.429 290 A N 0.851 123.561 122.820 -0.184 0.000 1.940 290 A HA -0.111 4.209 4.320 -0.000 0.000 0.219 290 A C 2.149 179.805 177.584 0.120 0.000 1.176 290 A CA 1.330 53.378 52.037 0.018 0.000 0.631 290 A CB -0.417 18.623 19.000 0.067 0.000 0.814 290 A HN 0.406 nan 8.150 nan 0.000 0.446 291 L N -1.465 119.937 121.223 0.299 0.000 2.509 291 L HA 0.039 4.379 4.340 -0.000 0.000 0.222 291 L C 0.486 177.388 176.870 0.052 0.000 1.123 291 L CA 0.489 55.409 54.840 0.133 0.000 0.856 291 L CB -0.241 41.839 42.059 0.035 0.000 0.985 291 L HN 0.445 nan 8.230 nan 0.000 0.456 292 D N 1.555 121.955 120.400 -0.002 0.000 2.697 292 D HA -0.207 4.433 4.640 -0.000 0.000 0.238 292 D C 0.045 176.373 176.300 0.047 0.000 1.152 292 D CA 0.677 54.685 54.000 0.014 0.000 0.666 292 D CB -0.288 40.574 40.800 0.103 0.000 1.037 292 D HN 0.286 nan 8.370 nan 0.000 0.423 293 R N 0.260 120.735 120.500 -0.041 0.000 2.740 293 R HA 0.738 5.078 4.340 -0.000 0.000 0.282 293 R C -0.082 176.231 176.300 0.022 0.000 0.969 293 R CA -1.018 55.048 56.100 -0.056 0.000 0.918 293 R CB 1.533 31.714 30.300 -0.197 0.000 1.175 293 R HN 0.130 nan 8.270 nan 0.000 0.464 294 I N 2.423 122.966 120.570 -0.046 0.000 2.441 294 I HA 0.344 4.514 4.170 -0.000 0.000 0.295 294 I C -1.049 174.975 176.117 -0.154 0.000 0.994 294 I CA -0.819 60.536 61.300 0.092 0.000 1.144 294 I CB 1.217 39.291 38.000 0.123 0.000 1.314 294 I HN 0.409 nan 8.210 nan 0.000 0.445 295 Y N 6.199 126.567 120.300 0.114 0.000 2.364 295 Y HA 0.650 5.200 4.550 -0.000 0.000 0.340 295 Y C -0.536 175.425 175.900 0.102 0.000 0.975 295 Y CA -0.912 57.242 58.100 0.089 0.000 1.089 295 Y CB 1.748 40.273 38.460 0.109 0.000 1.192 295 Y HN 0.334 nan 8.280 nan 0.000 0.454 296 L N 3.798 125.140 121.223 0.199 0.000 2.410 296 L HA 0.571 4.911 4.340 -0.000 0.000 0.270 296 L C -1.548 175.430 176.870 0.180 0.000 0.983 296 L CA -0.661 54.283 54.840 0.173 0.000 0.822 296 L CB 1.732 43.865 42.059 0.123 0.000 1.285 296 L HN 0.649 nan 8.230 nan 0.000 0.409 297 L N 5.847 127.180 121.223 0.184 0.000 2.315 297 L HA 0.570 4.910 4.340 -0.000 0.000 0.283 297 L C -0.344 176.649 176.870 0.204 0.000 1.089 297 L CA -0.324 54.631 54.840 0.192 0.000 0.833 297 L CB 0.950 43.109 42.059 0.167 0.000 1.170 297 L HN 0.622 nan 8.230 nan 0.000 0.442 298 V N 0.395 120.471 119.914 0.269 0.000 3.160 298 V HA 0.798 4.918 4.120 -0.000 0.000 0.310 298 V C -1.071 175.240 176.094 0.361 0.000 1.181 298 V CA -0.636 61.847 62.300 0.304 0.000 1.047 298 V CB 2.444 34.480 31.823 0.355 0.000 1.068 298 V HN 0.700 nan 8.190 nan 0.000 0.441 299 D N -0.651 119.860 120.400 0.184 0.000 2.804 299 D HA 0.223 4.863 4.640 -0.000 0.000 0.309 299 D C -1.545 174.386 176.300 -0.615 0.000 1.311 299 D CA -0.473 53.378 54.000 -0.249 0.000 0.765 299 D CB 2.032 42.821 40.800 -0.018 0.000 1.293 299 D HN 0.806 nan 8.370 nan 0.000 0.434 300 Q N 0.868 120.100 119.800 -0.947 0.000 2.279 300 Q HA 0.577 4.917 4.340 -0.000 0.000 0.256 300 Q C -0.286 175.517 176.000 -0.328 0.000 0.937 300 Q CA -0.142 55.211 55.803 -0.750 0.000 0.933 300 Q CB 1.563 29.820 28.738 -0.801 0.000 1.189 300 Q HN 0.327 nan 8.270 nan 0.000 0.417 301 R N 0.034 120.415 120.500 -0.199 0.000 2.712 301 R HA 0.346 4.686 4.340 -0.000 0.000 0.272 301 R C -1.637 174.628 176.300 -0.059 0.000 1.032 301 R CA -1.042 54.999 56.100 -0.098 0.000 0.874 301 R CB 0.633 30.896 30.300 -0.061 0.000 1.256 301 R HN 0.467 nan 8.270 nan 0.000 0.468 302 D N 0.248 120.636 120.400 -0.020 0.000 2.357 302 D HA -0.028 4.612 4.640 -0.000 0.000 0.242 302 D C 0.905 177.191 176.300 -0.025 0.000 1.153 302 D CA -0.064 53.937 54.000 0.002 0.000 0.918 302 D CB 1.152 41.986 40.800 0.058 0.000 1.181 302 D HN 0.648 nan 8.370 nan 0.000 0.435 303 E N 1.114 121.254 120.200 -0.100 0.000 2.265 303 E HA -0.179 4.171 4.350 -0.000 0.000 0.196 303 E C 0.554 176.932 176.600 -0.371 0.000 0.996 303 E CA 0.838 57.060 56.400 -0.295 0.000 0.832 303 E CB -0.229 29.184 29.700 -0.478 0.000 0.756 303 E HN 0.616 nan 8.360 nan 0.000 0.491 304 W N 0.767 122.140 121.300 0.120 0.000 3.151 304 W HA 0.296 4.956 4.660 -0.000 0.000 0.424 304 W C 0.334 176.951 176.519 0.163 0.000 1.012 304 W CA -0.967 56.495 57.345 0.194 0.000 2.018 304 W CB 0.828 30.375 29.460 0.145 0.000 1.087 304 W HN -0.182 nan 8.180 nan 0.000 0.740 305 R N 0.770 121.416 120.500 0.243 0.000 2.865 305 R HA 0.081 4.421 4.340 -0.000 0.000 0.370 305 R C 1.263 177.581 176.300 0.030 0.000 1.168 305 R CA -0.076 56.080 56.100 0.093 0.000 1.058 305 R CB -0.987 29.350 30.300 0.062 0.000 1.419 305 R HN 0.475 nan 8.270 nan 0.000 0.580 306 H N -0.847 118.200 119.070 -0.039 0.000 2.559 306 H HA 0.137 4.693 4.556 -0.000 0.000 0.273 306 H C 0.259 175.584 175.328 -0.006 0.000 1.000 306 H CA 0.396 56.373 56.048 -0.118 0.000 1.195 306 H CB 0.377 29.888 29.762 -0.418 0.000 1.368 306 H HN 0.061 nan 8.280 nan 0.000 0.592 307 K N 1.401 121.684 120.400 -0.196 0.000 2.358 307 K HA 0.081 4.401 4.320 -0.000 0.000 0.200 307 K C 0.382 177.011 176.600 0.047 0.000 1.030 307 K CA 0.239 56.522 56.287 -0.007 0.000 1.097 307 K CB 0.914 33.418 32.500 0.006 0.000 0.862 307 K HN 0.323 nan 8.250 nan 0.000 0.534 308 T N -0.910 113.655 114.554 0.019 0.000 2.882 308 T HA 0.484 4.834 4.350 -0.000 0.000 0.287 308 T C 0.535 175.267 174.700 0.054 0.000 1.014 308 T CA -0.937 61.182 62.100 0.031 0.000 1.049 308 T CB 1.533 70.412 68.868 0.018 0.000 1.001 308 T HN 0.096 nan 8.240 nan 0.000 0.525 309 A N 1.957 124.807 122.820 0.051 0.000 2.466 309 A HA 0.533 4.853 4.320 -0.000 0.000 0.238 309 A C 0.585 178.207 177.584 0.064 0.000 1.074 309 A CA -0.510 51.565 52.037 0.063 0.000 0.774 309 A CB -0.195 18.838 19.000 0.054 0.000 1.015 309 A HN 0.855 nan 8.150 nan 0.000 0.498 310 S N -0.542 115.208 115.700 0.084 0.000 2.600 310 S HA 0.566 5.036 4.470 -0.000 0.000 0.300 310 S C 0.588 175.237 174.600 0.082 0.000 1.087 310 S CA -0.709 57.556 58.200 0.107 0.000 0.965 310 S CB 1.701 64.993 63.200 0.153 0.000 1.089 310 S HN 0.645 nan 8.310 nan 0.000 0.496 311 R N -0.173 120.381 120.500 0.091 0.000 2.476 311 R HA 0.333 4.673 4.340 -0.000 0.000 0.276 311 R C -1.039 175.015 176.300 -0.409 0.000 0.941 311 R CA 0.246 56.245 56.100 -0.169 0.000 1.088 311 R CB 0.350 30.467 30.300 -0.306 0.000 1.216 311 R HN 0.402 nan 8.270 nan 0.000 0.533 312 F N -0.693 119.340 119.950 0.138 0.000 2.588 312 F HA 0.510 5.037 4.527 -0.000 0.000 0.314 312 F C -0.268 175.635 175.800 0.172 0.000 1.069 312 F CA -1.307 56.808 58.000 0.193 0.000 0.931 312 F CB 1.830 41.035 39.000 0.341 0.000 1.260 312 F HN -0.439 nan 8.300 nan 0.000 0.465 313 V N 2.625 122.742 119.914 0.338 0.000 2.577 313 V HA 0.596 4.716 4.120 -0.000 0.000 0.303 313 V C -0.893 175.255 176.094 0.090 0.000 1.042 313 V CA -0.917 61.524 62.300 0.235 0.000 0.872 313 V CB 1.993 33.982 31.823 0.276 0.000 0.998 313 V HN 0.649 nan 8.190 nan 0.000 0.423 314 V N 3.515 123.448 119.914 0.032 0.000 2.547 314 V HA 0.867 4.987 4.120 -0.000 0.000 0.299 314 V C -0.459 175.528 176.094 -0.179 0.000 1.040 314 V CA -0.643 61.583 62.300 -0.124 0.000 0.913 314 V CB 1.734 33.496 31.823 -0.102 0.000 0.992 314 V HN 0.493 nan 8.190 nan 0.000 0.449 315 V N 5.742 125.461 119.914 -0.325 0.000 2.540 315 V HA 0.700 4.820 4.120 -0.000 0.000 0.302 315 V C -0.150 175.757 176.094 -0.312 0.000 1.035 315 V CA -0.419 61.635 62.300 -0.410 0.000 0.873 315 V CB 1.226 32.737 31.823 -0.520 0.000 0.992 315 V HN 1.061 nan 8.190 nan 0.000 0.428 316 L N 0.370 121.427 121.223 -0.277 0.000 2.415 316 L HA 0.774 5.114 4.340 -0.000 0.000 0.256 316 L C -0.683 176.102 176.870 -0.141 0.000 1.010 316 L CA -0.763 53.971 54.840 -0.177 0.000 0.826 316 L CB 2.201 44.189 42.059 -0.120 0.000 1.405 316 L HN 0.483 nan 8.230 nan 0.000 0.410 317 D N 1.231 121.575 120.400 -0.093 0.000 2.343 317 D HA 0.273 4.913 4.640 -0.000 0.000 0.255 317 D C 0.891 177.184 176.300 -0.012 0.000 1.187 317 D CA 0.448 54.418 54.000 -0.050 0.000 0.875 317 D CB 2.230 43.005 40.800 -0.042 0.000 1.136 317 D HN 0.784 nan 8.370 nan 0.000 0.469 318 A N 5.589 128.433 122.820 0.039 0.000 2.019 318 A HA -0.144 4.176 4.320 -0.000 0.000 0.219 318 A C 2.053 179.659 177.584 0.037 0.000 1.164 318 A CA 0.946 53.026 52.037 0.072 0.000 0.644 318 A CB -0.071 19.052 19.000 0.204 0.000 0.805 318 A HN 0.517 nan 8.150 nan 0.000 0.449 319 K N -0.679 119.739 120.400 0.031 0.000 2.031 319 K HA -0.075 4.245 4.320 -0.000 0.000 0.205 319 K C 2.109 178.708 176.600 -0.001 0.000 1.049 319 K CA 1.927 58.223 56.287 0.015 0.000 0.939 319 K CB -0.393 32.116 32.500 0.015 0.000 0.717 319 K HN 0.682 nan 8.250 nan 0.000 0.438 320 T N -4.171 110.378 114.554 -0.009 0.000 2.990 320 T HA 0.200 4.550 4.350 -0.000 0.000 0.250 320 T C 1.276 175.960 174.700 -0.027 0.000 1.041 320 T CA 0.827 62.916 62.100 -0.018 0.000 1.010 320 T CB 0.671 69.526 68.868 -0.022 0.000 1.003 320 T HN 0.302 nan 8.240 nan 0.000 0.499 321 G N 1.753 110.535 108.800 -0.031 0.000 2.159 321 G HA2 -0.283 3.677 3.960 -0.000 0.000 0.256 321 G HA3 -0.283 3.677 3.960 -0.000 0.000 0.256 321 G C -0.144 174.722 174.900 -0.057 0.000 0.977 321 G CA 0.284 45.358 45.100 -0.042 0.000 0.652 321 G HN 0.962 nan 8.290 nan 0.000 0.531 322 E N 0.371 120.537 120.200 -0.056 0.000 2.415 322 E HA 0.342 4.692 4.350 -0.000 0.000 0.263 322 E C 0.759 177.306 176.600 -0.089 0.000 0.995 322 E CA -0.631 55.729 56.400 -0.066 0.000 0.915 322 E CB 0.337 30.003 29.700 -0.057 0.000 0.951 322 E HN 0.315 nan 8.360 nan 0.000 0.449 323 R N 4.569 125.009 120.500 -0.100 0.000 2.351 323 R HA 0.084 4.423 4.340 -0.000 0.000 0.318 323 R C 0.102 176.323 176.300 -0.132 0.000 1.055 323 R CA 0.368 56.391 56.100 -0.129 0.000 0.968 323 R CB 0.151 30.369 30.300 -0.136 0.000 0.974 323 R HN 0.759 nan 8.270 nan 0.000 0.439 324 L N 2.377 123.503 121.223 -0.162 0.000 2.316 324 L HA 0.437 4.777 4.340 -0.000 0.000 0.207 324 L C 0.579 177.342 176.870 -0.178 0.000 1.070 324 L CA 0.612 55.361 54.840 -0.152 0.000 0.820 324 L CB -0.031 41.933 42.059 -0.158 0.000 0.992 324 L HN 0.773 nan 8.230 nan 0.000 0.466 325 A N -0.175 122.477 122.820 -0.280 0.000 2.566 325 A HA 0.592 4.912 4.320 -0.000 0.000 0.290 325 A C -1.452 175.837 177.584 -0.492 0.000 1.071 325 A CA -0.543 51.267 52.037 -0.378 0.000 0.658 325 A CB 1.572 20.259 19.000 -0.521 0.000 1.285 325 A HN -0.053 nan 8.150 nan 0.000 0.427 326 K N 1.008 121.146 120.400 -0.436 0.000 2.637 326 K HA 0.614 4.934 4.320 -0.000 0.000 0.248 326 K C -2.007 174.552 176.600 -0.069 0.000 0.971 326 K CA -0.367 55.756 56.287 -0.273 0.000 0.858 326 K CB 0.708 33.119 32.500 -0.148 0.000 1.170 326 K HN 0.444 nan 8.250 nan 0.000 0.443 327 F N 1.987 122.013 119.950 0.127 0.000 2.420 327 F HA 0.315 4.842 4.527 -0.000 0.000 0.342 327 F C 0.490 176.360 175.800 0.116 0.000 1.113 327 F CA -1.035 57.026 58.000 0.102 0.000 1.059 327 F CB 1.557 40.584 39.000 0.044 0.000 1.128 327 F HN 0.483 nan 8.300 nan 0.000 0.475 328 E N 3.353 123.702 120.200 0.248 0.000 2.044 328 E HA 0.158 4.508 4.350 -0.000 0.000 0.282 328 E C 0.632 177.146 176.600 -0.143 0.000 1.031 328 E CA -0.353 56.002 56.400 -0.076 0.000 0.824 328 E CB 0.571 30.290 29.700 0.031 0.000 1.076 328 E HN 0.508 nan 8.360 nan 0.000 0.395 329 M N 2.289 121.730 119.600 -0.265 0.000 2.319 329 M HA 0.064 4.544 4.480 -0.000 0.000 0.265 329 M C 1.575 177.735 176.300 -0.234 0.000 1.068 329 M CA 1.249 56.434 55.300 -0.191 0.000 1.118 329 M CB -0.857 31.632 32.600 -0.184 0.000 1.395 329 M HN 0.827 nan 8.290 nan 0.000 0.435 330 G N 0.427 109.006 108.800 -0.368 0.000 2.184 330 G HA2 -0.251 3.709 3.960 -0.000 0.000 0.264 330 G HA3 -0.251 3.709 3.960 -0.000 0.000 0.264 330 G C -0.017 174.400 174.900 -0.806 0.000 0.975 330 G CA 0.746 45.534 45.100 -0.520 0.000 0.642 330 G HN 0.572 nan 8.290 nan 0.000 0.536 331 H N -1.139 117.767 119.070 -0.274 0.000 2.990 331 H HA 0.529 5.085 4.556 -0.000 0.000 0.343 331 H C -0.951 174.284 175.328 -0.156 0.000 1.270 331 H CA -1.024 54.864 56.048 -0.267 0.000 1.118 331 H CB 0.915 30.345 29.762 -0.554 0.000 1.861 331 H HN 0.031 nan 8.280 nan 0.000 0.544 332 E N 2.058 122.300 120.200 0.070 0.000 2.003 332 E HA 0.120 4.470 4.350 -0.000 0.000 0.279 332 E C -0.264 176.388 176.600 0.086 0.000 1.132 332 E CA -0.085 56.347 56.400 0.053 0.000 0.888 332 E CB 0.386 30.118 29.700 0.054 0.000 1.056 332 E HN 0.259 nan 8.360 nan 0.000 0.399 333 I N 2.767 123.383 120.570 0.076 0.000 2.359 333 I HA 0.123 4.293 4.170 -0.000 0.000 0.294 333 I C 1.157 177.337 176.117 0.104 0.000 0.987 333 I CA -0.258 61.105 61.300 0.105 0.000 1.225 333 I CB 1.209 39.267 38.000 0.097 0.000 1.366 333 I HN 0.346 nan 8.210 nan 0.000 0.466 334 D N 2.956 123.420 120.400 0.108 0.000 2.394 334 D HA 0.076 4.716 4.640 -0.000 0.000 0.226 334 D C 0.073 176.468 176.300 0.157 0.000 0.990 334 D CA 0.772 54.844 54.000 0.118 0.000 0.902 334 D CB 0.977 41.822 40.800 0.076 0.000 1.038 334 D HN 0.406 nan 8.370 nan 0.000 0.499 335 S N 0.121 115.909 115.700 0.148 0.000 2.549 335 S HA 0.620 5.090 4.470 -0.000 0.000 0.280 335 S C -0.276 174.416 174.600 0.154 0.000 1.109 335 S CA -0.786 57.513 58.200 0.164 0.000 0.905 335 S CB 2.533 65.847 63.200 0.190 0.000 1.081 335 S HN 0.178 nan 8.310 nan 0.000 0.477 336 I N -0.086 120.579 120.570 0.158 0.000 3.074 336 I HA 0.821 4.991 4.170 -0.000 0.000 0.310 336 I C -0.916 175.302 176.117 0.168 0.000 1.153 336 I CA -0.643 60.752 61.300 0.158 0.000 0.993 336 I CB 2.362 40.446 38.000 0.140 0.000 1.237 336 I HN 0.523 nan 8.210 nan 0.000 0.443 337 N N 1.046 119.849 118.700 0.172 0.000 3.227 337 N HA 0.683 5.423 4.740 -0.000 0.000 0.241 337 N C -1.808 173.789 175.510 0.145 0.000 1.480 337 N CA -0.220 52.940 53.050 0.183 0.000 0.886 337 N CB 2.579 41.205 38.487 0.231 0.000 1.406 337 N HN 0.833 nan 8.380 nan 0.000 0.514 338 V N -1.304 118.680 119.914 0.116 0.000 3.078 338 V HA 0.809 4.929 4.120 -0.000 0.000 0.311 338 V C 0.152 176.339 176.094 0.155 0.000 1.138 338 V CA -0.786 61.511 62.300 -0.006 0.000 1.007 338 V CB 1.171 32.879 31.823 -0.191 0.000 1.045 338 V HN 0.766 nan 8.190 nan 0.000 0.432 339 S N 1.804 117.569 115.700 0.108 0.000 2.592 339 S HA 0.382 4.852 4.470 -0.000 0.000 0.271 339 S C 0.219 174.904 174.600 0.142 0.000 1.326 339 S CA -0.551 57.760 58.200 0.185 0.000 1.024 339 S CB 1.214 64.502 63.200 0.145 0.000 0.921 339 S HN 0.817 nan 8.310 nan 0.000 0.527 340 Q N 1.155 120.997 119.800 0.070 0.000 2.222 340 Q HA 0.156 4.496 4.340 -0.000 0.000 0.206 340 Q C -0.343 175.657 176.000 -0.001 0.000 0.877 340 Q CA -0.081 55.669 55.803 -0.087 0.000 0.958 340 Q CB -0.273 28.382 28.738 -0.139 0.000 1.075 340 Q HN 0.857 nan 8.270 nan 0.000 0.483 341 D N -0.652 119.821 120.400 0.123 0.000 2.478 341 D HA -0.008 4.632 4.640 -0.000 0.000 0.269 341 D C 0.996 177.398 176.300 0.170 0.000 1.232 341 D CA -0.551 53.513 54.000 0.108 0.000 1.059 341 D CB 0.849 41.693 40.800 0.072 0.000 1.104 341 D HN -0.096 nan 8.370 nan 0.000 0.566 342 E N -0.329 119.932 120.200 0.101 0.000 2.033 342 E HA -0.204 4.146 4.350 -0.000 0.000 0.199 342 E C 0.071 176.695 176.600 0.040 0.000 1.011 342 E CA 1.306 57.755 56.400 0.081 0.000 0.815 342 E CB 0.107 29.834 29.700 0.045 0.000 0.755 342 E HN 0.316 nan 8.360 nan 0.000 0.451 343 K N 2.018 122.429 120.400 0.018 0.000 2.360 343 K HA 0.252 4.572 4.320 -0.000 0.000 0.235 343 K C -2.431 174.152 176.600 -0.028 0.000 1.077 343 K CA -1.794 54.483 56.287 -0.018 0.000 1.035 343 K CB 1.482 33.973 32.500 -0.014 0.000 1.623 343 K HN 0.211 nan 8.250 nan 0.000 0.462 344 P HA -0.020 nan 4.420 nan 0.000 0.268 344 P C -0.648 176.571 177.300 -0.134 0.000 1.208 344 P CA -0.380 62.680 63.100 -0.066 0.000 0.777 344 P CB 0.766 32.389 31.700 -0.129 0.000 0.875 345 L N 2.493 123.587 121.223 -0.214 0.000 2.322 345 L HA 0.398 4.738 4.340 -0.000 0.000 0.279 345 L C 0.044 176.599 176.870 -0.525 0.000 1.036 345 L CA -0.627 53.993 54.840 -0.367 0.000 0.807 345 L CB 1.029 42.788 42.059 -0.499 0.000 1.226 345 L HN 0.294 nan 8.230 nan 0.000 0.433 346 L N 3.878 124.855 121.223 -0.411 0.000 2.280 346 L HA 0.469 4.809 4.340 -0.000 0.000 0.287 346 L C -1.306 175.405 176.870 -0.265 0.000 1.023 346 L CA -0.074 54.565 54.840 -0.334 0.000 0.819 346 L CB 0.531 42.491 42.059 -0.165 0.000 1.212 346 L HN 0.327 nan 8.230 nan 0.000 0.420 347 Y N 4.291 124.602 120.300 0.018 0.000 2.327 347 Y HA 0.653 5.203 4.550 -0.000 0.000 0.336 347 Y C 0.509 176.453 175.900 0.075 0.000 1.035 347 Y CA -0.477 57.658 58.100 0.058 0.000 1.165 347 Y CB 1.369 39.851 38.460 0.037 0.000 1.181 347 Y HN 0.728 nan 8.280 nan 0.000 0.494 348 A N 4.726 127.712 122.820 0.277 0.000 2.340 348 A HA 0.603 4.923 4.320 -0.000 0.000 0.297 348 A C -1.627 176.105 177.584 0.245 0.000 1.195 348 A CA -0.643 51.527 52.037 0.222 0.000 0.769 348 A CB 0.493 19.592 19.000 0.164 0.000 1.163 348 A HN 0.669 nan 8.150 nan 0.000 0.472 349 L N 2.802 124.126 121.223 0.167 0.000 2.282 349 L HA 0.668 5.008 4.340 -0.000 0.000 0.288 349 L C 0.260 177.193 176.870 0.105 0.000 1.033 349 L CA 0.193 55.090 54.840 0.095 0.000 0.807 349 L CB 1.723 43.809 42.059 0.046 0.000 1.209 349 L HN 0.521 nan 8.230 nan 0.000 0.423 350 S N 2.564 118.320 115.700 0.093 0.000 2.422 350 S HA 0.317 4.787 4.470 -0.000 0.000 0.308 350 S C 0.952 175.556 174.600 0.005 0.000 1.097 350 S CA -0.323 57.936 58.200 0.099 0.000 1.099 350 S CB 0.866 64.196 63.200 0.217 0.000 0.976 350 S HN 0.850 nan 8.310 nan 0.000 0.471 351 T N 4.513 119.060 114.554 -0.012 0.000 2.821 351 T HA 0.003 4.353 4.350 -0.000 0.000 0.267 351 T C 2.002 176.691 174.700 -0.018 0.000 1.046 351 T CA 1.468 63.532 62.100 -0.060 0.000 1.139 351 T CB -0.594 68.217 68.868 -0.096 0.000 0.871 351 T HN 0.767 nan 8.240 nan 0.000 0.454 352 G N 1.612 110.421 108.800 0.014 0.000 2.404 352 G HA2 -0.180 3.780 3.960 -0.000 0.000 0.215 352 G HA3 -0.180 3.780 3.960 -0.000 0.000 0.215 352 G C 1.198 176.109 174.900 0.017 0.000 1.174 352 G CA 0.751 45.867 45.100 0.027 0.000 0.780 352 G HN 0.390 nan 8.290 nan 0.000 0.537 353 D N 0.436 120.849 120.400 0.021 0.000 2.347 353 D HA 0.054 4.694 4.640 -0.000 0.000 0.213 353 D C 0.819 177.071 176.300 -0.079 0.000 0.985 353 D CA 0.268 54.267 54.000 -0.001 0.000 0.879 353 D CB 0.024 40.857 40.800 0.055 0.000 0.919 353 D HN 0.267 nan 8.370 nan 0.000 0.526 354 K N -0.372 119.969 120.400 -0.099 0.000 3.071 354 K HA -0.129 4.191 4.320 -0.000 0.000 0.265 354 K C -0.652 175.796 176.600 -0.254 0.000 1.060 354 K CA 0.631 56.816 56.287 -0.170 0.000 0.767 354 K CB -1.922 30.480 32.500 -0.163 0.000 1.241 354 K HN 0.068 nan 8.250 nan 0.000 0.486 355 T N 0.354 114.742 114.554 -0.277 0.000 2.893 355 T HA 0.541 4.891 4.350 -0.000 0.000 0.293 355 T C -1.138 173.255 174.700 -0.512 0.000 1.027 355 T CA -0.854 60.967 62.100 -0.465 0.000 0.988 355 T CB 1.743 70.206 68.868 -0.675 0.000 1.043 355 T HN 0.175 nan 8.240 nan 0.000 0.461 356 L N 3.647 124.576 121.223 -0.491 0.000 2.265 356 L HA 0.549 4.889 4.340 -0.000 0.000 0.289 356 L C -1.557 175.088 176.870 -0.376 0.000 1.033 356 L CA -0.470 54.188 54.840 -0.304 0.000 0.814 356 L CB 0.054 42.003 42.059 -0.184 0.000 1.203 356 L HN 0.603 nan 8.230 nan 0.000 0.423 357 Y N 5.525 125.837 120.300 0.020 0.000 2.320 357 Y HA 0.517 5.067 4.550 -0.000 0.000 0.334 357 Y C 0.069 176.069 175.900 0.168 0.000 1.055 357 Y CA -0.406 57.724 58.100 0.049 0.000 1.143 357 Y CB 1.166 39.702 38.460 0.128 0.000 1.193 357 Y HN 0.412 nan 8.280 nan 0.000 0.477 358 I N 4.579 125.255 120.570 0.176 0.000 2.330 358 I HA 0.281 4.451 4.170 -0.000 0.000 0.289 358 I C -0.187 175.916 176.117 -0.024 0.000 1.001 358 I CA -0.379 60.995 61.300 0.123 0.000 1.193 358 I CB 0.585 38.632 38.000 0.079 0.000 1.345 358 I HN 0.632 nan 8.210 nan 0.000 0.461 359 H N 3.752 122.772 119.070 -0.084 0.000 2.710 359 H HA 0.258 4.814 4.556 -0.000 0.000 0.361 359 H C -0.961 174.258 175.328 -0.182 0.000 1.175 359 H CA -0.830 55.142 56.048 -0.126 0.000 1.206 359 H CB 2.490 32.166 29.762 -0.143 0.000 1.750 359 H HN 0.481 nan 8.280 nan 0.000 0.553 360 D N 0.659 121.021 120.400 -0.063 0.000 2.317 360 D HA 0.112 4.751 4.640 -0.000 0.000 0.252 360 D C 0.703 176.932 176.300 -0.119 0.000 1.174 360 D CA -0.123 53.816 54.000 -0.102 0.000 0.866 360 D CB 1.353 42.091 40.800 -0.104 0.000 1.127 360 D HN 0.643 nan 8.370 nan 0.000 0.467 361 A N 4.084 126.856 122.820 -0.080 0.000 2.121 361 A HA -0.146 4.174 4.320 -0.000 0.000 0.218 361 A C 1.823 179.520 177.584 0.189 0.000 1.154 361 A CA 1.127 53.181 52.037 0.029 0.000 0.679 361 A CB -0.061 18.910 19.000 -0.049 0.000 0.795 361 A HN 0.603 nan 8.150 nan 0.000 0.458 362 E N -0.042 120.204 120.200 0.077 0.000 2.057 362 E HA -0.060 4.290 4.350 -0.000 0.000 0.190 362 E C 2.297 179.002 176.600 0.175 0.000 0.969 362 E CA 1.430 57.915 56.400 0.141 0.000 0.812 362 E CB -0.048 29.683 29.700 0.052 0.000 0.777 362 E HN 0.612 nan 8.360 nan 0.000 0.455 363 S N -1.672 114.014 115.700 -0.024 0.000 2.503 363 S HA 0.220 4.690 4.470 -0.000 0.000 0.217 363 S C 1.702 176.019 174.600 -0.471 0.000 0.999 363 S CA 0.571 58.725 58.200 -0.076 0.000 0.914 363 S CB 0.504 63.666 63.200 -0.063 0.000 0.782 363 S HN 0.433 nan 8.310 nan 0.000 0.520 364 G N 1.227 109.464 108.800 -0.938 0.000 2.179 364 G HA2 -0.311 3.649 3.960 -0.000 0.000 0.260 364 G HA3 -0.311 3.649 3.960 -0.000 0.000 0.260 364 G C -0.152 174.510 174.900 -0.396 0.000 0.977 364 G CA 0.325 44.562 45.100 -1.437 0.000 0.641 364 G HN 0.744 nan 8.290 nan 0.000 0.533 365 E N 0.968 121.026 120.200 -0.235 0.000 2.376 365 E HA 0.290 4.640 4.350 -0.000 0.000 0.266 365 E C 0.316 176.815 176.600 -0.169 0.000 1.009 365 E CA -0.313 56.013 56.400 -0.123 0.000 0.902 365 E CB 0.281 29.914 29.700 -0.111 0.000 0.972 365 E HN 0.435 nan 8.360 nan 0.000 0.439 366 E N 4.220 124.246 120.200 -0.290 0.000 2.299 366 E HA -0.019 4.331 4.350 -0.000 0.000 0.272 366 E C 0.248 176.674 176.600 -0.290 0.000 1.043 366 E CA -0.451 55.577 56.400 -0.621 0.000 0.895 366 E CB 0.610 30.017 29.700 -0.488 0.000 1.011 366 E HN 0.491 nan 8.360 nan 0.000 0.432 367 L N 4.937 126.011 121.223 -0.249 0.000 2.286 367 L HA 0.176 4.516 4.340 -0.000 0.000 0.203 367 L C 0.888 177.703 176.870 -0.092 0.000 1.068 367 L CA 1.160 55.922 54.840 -0.131 0.000 0.811 367 L CB -0.589 41.409 42.059 -0.101 0.000 0.989 367 L HN 0.642 nan 8.230 nan 0.000 0.467 368 R N -1.843 118.605 120.500 -0.088 0.000 2.752 368 R HA 0.594 4.934 4.340 -0.000 0.000 0.277 368 R C -1.218 175.055 176.300 -0.044 0.000 1.024 368 R CA -0.416 55.652 56.100 -0.053 0.000 0.866 368 R CB 1.277 31.550 30.300 -0.045 0.000 1.278 368 R HN -0.072 nan 8.270 nan 0.000 0.473 369 S N -0.288 115.370 115.700 -0.071 0.000 2.588 369 S HA 0.718 5.188 4.470 -0.000 0.000 0.275 369 S C -1.118 173.368 174.600 -0.190 0.000 1.130 369 S CA -0.756 57.346 58.200 -0.164 0.000 0.855 369 S CB 2.263 65.327 63.200 -0.227 0.000 1.116 369 S HN 0.435 nan 8.310 nan 0.000 0.472 370 V N 3.292 123.044 119.914 -0.269 0.000 2.447 370 V HA 0.490 4.610 4.120 -0.000 0.000 0.292 370 V C -0.538 175.364 176.094 -0.321 0.000 1.021 370 V CA -0.745 61.409 62.300 -0.243 0.000 0.850 370 V CB 0.988 32.685 31.823 -0.210 0.000 1.005 370 V HN 1.044 nan 8.190 nan 0.000 0.426 371 N N 3.025 121.560 118.700 -0.276 0.000 2.566 371 N HA 0.323 5.063 4.740 -0.000 0.000 0.299 371 N C 0.055 175.394 175.510 -0.286 0.000 1.277 371 N CA -0.838 52.041 53.050 -0.284 0.000 0.965 371 N CB 0.161 38.520 38.487 -0.214 0.000 1.142 371 N HN 0.566 nan 8.380 nan 0.000 0.596 372 Q N -1.238 118.411 119.800 -0.253 0.000 2.453 372 Q HA -0.149 4.191 4.340 -0.000 0.000 0.294 372 Q C -0.797 174.963 176.000 -0.400 0.000 1.295 372 Q CA 0.343 55.998 55.803 -0.247 0.000 0.853 372 Q CB -1.957 26.681 28.738 -0.166 0.000 1.193 372 Q HN 0.470 nan 8.270 nan 0.000 0.461 373 L N 0.669 121.576 121.223 -0.527 0.000 2.536 373 L HA 0.384 4.724 4.340 -0.000 0.000 0.242 373 L C 1.283 177.808 176.870 -0.576 0.000 1.280 373 L CA 0.366 54.632 54.840 -0.956 0.000 1.221 373 L CB -0.428 41.129 42.059 -0.836 0.000 1.449 373 L HN 0.592 nan 8.230 nan 0.000 0.405 374 G N 0.181 108.804 108.800 -0.294 0.000 2.584 374 G HA2 -0.267 3.693 3.960 -0.000 0.000 0.229 374 G HA3 -0.267 3.693 3.960 -0.000 0.000 0.229 374 G C 0.407 175.089 174.900 -0.364 0.000 1.320 374 G CA -0.143 44.864 45.100 -0.156 0.000 0.891 374 G HN 0.491 nan 8.290 nan 0.000 0.573 375 H N 0.577 119.639 119.070 -0.013 0.000 2.516 375 H HA 0.334 4.890 4.556 -0.000 0.000 0.284 375 H C 1.792 177.050 175.328 -0.117 0.000 0.999 375 H CA 1.337 57.371 56.048 -0.024 0.000 1.303 375 H CB 0.912 30.684 29.762 0.018 0.000 1.452 375 H HN 1.240 nan 8.280 nan 0.000 0.530 376 G N 2.678 111.356 108.800 -0.203 0.000 4.101 376 G HA2 0.141 4.101 3.960 -0.000 0.000 0.262 376 G HA3 0.141 4.101 3.960 -0.000 0.000 0.262 376 G C -3.034 171.649 174.900 -0.361 0.000 1.181 376 G CA -0.742 44.070 45.100 -0.480 0.000 0.640 376 G HN -0.079 nan 8.290 nan 0.000 0.467 377 P HA 0.091 nan 4.420 nan 0.000 0.268 377 P C -0.177 177.014 177.300 -0.182 0.000 1.204 377 P CA 0.453 63.457 63.100 -0.160 0.000 0.768 377 P CB 1.980 33.590 31.700 -0.149 0.000 0.842 378 Q N 0.921 120.626 119.800 -0.158 0.000 2.167 378 Q HA 0.178 4.518 4.340 -0.000 0.000 0.251 378 Q C -0.217 175.830 176.000 0.078 0.000 0.768 378 Q CA 0.129 55.825 55.803 -0.178 0.000 0.944 378 Q CB 1.089 29.501 28.738 -0.544 0.000 1.179 378 Q HN 0.262 nan 8.270 nan 0.000 0.478 379 V N 2.018 121.996 119.914 0.107 0.000 2.540 379 V HA 0.457 4.577 4.120 -0.000 0.000 0.302 379 V C -0.552 175.612 176.094 0.117 0.000 1.035 379 V CA -0.575 61.836 62.300 0.185 0.000 0.873 379 V CB 1.891 33.843 31.823 0.214 0.000 0.992 379 V HN 0.136 nan 8.190 nan 0.000 0.428 380 I N 3.636 124.277 120.570 0.120 0.000 2.377 380 I HA 0.587 4.757 4.170 -0.000 0.000 0.293 380 I C -0.073 176.094 176.117 0.083 0.000 0.987 380 I CA -0.094 61.250 61.300 0.073 0.000 1.185 380 I CB 2.071 40.114 38.000 0.072 0.000 1.341 380 I HN 0.542 nan 8.210 nan 0.000 0.455 381 T N 3.224 117.824 114.554 0.076 0.000 2.881 381 T HA 0.580 4.930 4.350 -0.000 0.000 0.290 381 T C -0.268 174.511 174.700 0.131 0.000 1.000 381 T CA -0.724 61.422 62.100 0.075 0.000 0.978 381 T CB 1.829 70.696 68.868 -0.002 0.000 0.997 381 T HN 0.742 nan 8.240 nan 0.000 0.443 382 T N -0.537 114.088 114.554 0.117 0.000 2.906 382 T HA 0.863 5.213 4.350 -0.000 0.000 0.295 382 T C -0.572 174.194 174.700 0.110 0.000 1.075 382 T CA -1.020 61.166 62.100 0.143 0.000 1.005 382 T CB 1.844 70.807 68.868 0.158 0.000 1.136 382 T HN 0.745 nan 8.240 nan 0.000 0.498 383 A N 0.971 123.856 122.820 0.109 0.000 2.312 383 A HA 0.634 4.954 4.320 -0.000 0.000 0.328 383 A C -0.296 177.318 177.584 0.050 0.000 1.158 383 A CA -0.655 51.418 52.037 0.059 0.000 0.821 383 A CB 0.810 19.837 19.000 0.046 0.000 1.170 383 A HN 0.866 nan 8.150 nan 0.000 0.490 384 D N 2.889 123.306 120.400 0.029 0.000 2.499 384 D HA 0.325 4.965 4.640 -0.000 0.000 0.225 384 D C 0.652 176.955 176.300 0.005 0.000 1.124 384 D CA -0.105 53.899 54.000 0.007 0.000 0.938 384 D CB 0.316 41.111 40.800 -0.008 0.000 1.014 384 D HN 0.486 nan 8.370 nan 0.000 0.517 385 M N 1.000 120.607 119.600 0.012 0.000 2.595 385 M HA 0.159 4.639 4.480 -0.000 0.000 0.248 385 M C 1.345 177.650 176.300 0.009 0.000 1.119 385 M CA 0.023 55.331 55.300 0.013 0.000 1.079 385 M CB 0.450 33.063 32.600 0.022 0.000 1.472 385 M HN 0.202 nan 8.290 nan 0.000 0.501 386 G N 0.000 108.800 108.800 0.000 0.000 5.446 386 G HA2 0.000 3.960 3.960 -0.000 0.000 0.244 386 G HA3 0.000 3.960 3.960 -0.000 0.000 0.244 386 G CA 0.000 45.099 45.100 -0.001 0.000 0.502 386 G HN 0.000 nan 8.290 nan 0.000 0.925