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 2gc7_1_A 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 -0.024 0.000 1.382 5 E CA 0.000 56.386 56.400 -0.023 0.000 0.976 5 E CB 0.000 29.688 29.700 -0.021 0.000 0.812 6 A N 1.853 124.654 122.820 -0.031 0.000 2.288 6 A HA 0.534 4.841 4.320 -0.022 0.000 0.320 6 A C -0.755 176.806 177.584 -0.040 0.000 1.217 6 A CA -0.279 51.740 52.037 -0.030 0.000 0.840 6 A CB 0.650 19.633 19.000 -0.027 0.000 1.179 6 A HN 0.109 nan 8.150 nan 0.000 0.504 7 E N 1.569 121.748 120.200 -0.033 0.000 2.249 7 E HA 0.401 4.738 4.350 -0.022 0.000 0.280 7 E C 0.249 176.825 176.600 -0.040 0.000 1.016 7 E CA -0.425 55.952 56.400 -0.039 0.000 0.830 7 E CB 1.348 31.030 29.700 -0.031 0.000 1.081 7 E HN 0.759 nan 8.360 nan 0.000 0.395 8 T N -0.447 114.075 114.554 -0.053 0.000 2.849 8 T HA 0.016 4.353 4.350 -0.022 0.000 0.284 8 T C 1.116 175.792 174.700 -0.040 0.000 1.004 8 T CA -0.594 61.475 62.100 -0.052 0.000 1.021 8 T CB 1.524 70.343 68.868 -0.081 0.000 1.013 8 T HN 0.550 nan 8.240 nan 0.000 0.527 9 Q N 0.681 120.463 119.800 -0.030 0.000 2.135 9 Q HA -0.132 4.195 4.340 -0.022 0.000 0.204 9 Q C 2.329 178.310 176.000 -0.031 0.000 0.981 9 Q CA 1.853 57.640 55.803 -0.026 0.000 0.856 9 Q CB -0.758 27.968 28.738 -0.020 0.000 0.902 9 Q HN 0.912 nan 8.270 nan 0.000 0.425 10 A N 0.980 123.777 122.820 -0.040 0.000 1.855 10 A HA -0.272 4.036 4.320 -0.022 0.000 0.215 10 A C 1.995 179.554 177.584 -0.040 0.000 1.191 10 A CA 1.688 53.701 52.037 -0.041 0.000 0.613 10 A CB -0.820 18.151 19.000 -0.049 0.000 0.829 10 A HN 0.700 nan 8.150 nan 0.000 0.442 11 Q N -0.730 119.042 119.800 -0.048 0.000 2.291 11 Q HA -0.114 4.213 4.340 -0.022 0.000 0.205 11 Q C 1.731 177.711 176.000 -0.034 0.000 0.970 11 Q CA 1.489 57.266 55.803 -0.044 0.000 0.876 11 Q CB -0.309 28.397 28.738 -0.054 0.000 0.935 11 Q HN 0.772 nan 8.270 nan 0.000 0.455 12 E N 0.702 120.883 120.200 -0.032 0.000 2.107 12 E HA -0.119 4.218 4.350 -0.022 0.000 0.191 12 E C 1.402 177.989 176.600 -0.022 0.000 0.982 12 E CA 1.601 57.986 56.400 -0.025 0.000 0.809 12 E CB 0.174 29.861 29.700 -0.023 0.000 0.756 12 E HN 0.450 nan 8.360 nan 0.000 0.459 13 T N 0.816 115.356 114.554 -0.023 0.000 2.777 13 T HA -0.145 4.192 4.350 -0.022 0.000 0.266 13 T C 1.762 176.451 174.700 -0.020 0.000 1.040 13 T CA 1.246 63.334 62.100 -0.020 0.000 1.141 13 T CB -0.138 68.718 68.868 -0.021 0.000 0.868 13 T HN 0.243 nan 8.240 nan 0.000 0.444 14 Q N 0.474 120.261 119.800 -0.023 0.000 2.050 14 Q HA -0.020 4.307 4.340 -0.022 0.000 0.202 14 Q C 2.785 178.774 176.000 -0.019 0.000 0.980 14 Q CA 1.405 57.195 55.803 -0.021 0.000 0.840 14 Q CB -0.531 28.192 28.738 -0.025 0.000 0.898 14 Q HN 0.577 nan 8.270 nan 0.000 0.424 15 G N 0.826 109.614 108.800 -0.020 0.000 2.442 15 G HA2 -0.291 3.656 3.960 -0.022 0.000 0.219 15 G HA3 -0.291 3.656 3.960 -0.022 0.000 0.219 15 G C 1.277 176.168 174.900 -0.015 0.000 1.141 15 G CA 0.699 45.788 45.100 -0.017 0.000 0.763 15 G HN 0.287 nan 8.290 nan 0.000 0.554 16 Q N 0.049 119.840 119.800 -0.014 0.000 2.079 16 Q HA 0.089 4.416 4.340 -0.022 0.000 0.200 16 Q C 3.035 179.028 176.000 -0.011 0.000 0.974 16 Q CA 1.090 56.886 55.803 -0.012 0.000 0.840 16 Q CB -0.235 28.496 28.738 -0.012 0.000 0.898 16 Q HN 0.466 nan 8.270 nan 0.000 0.430 17 A N 1.103 123.916 122.820 -0.012 0.000 1.933 17 A HA -0.138 4.169 4.320 -0.022 0.000 0.218 17 A C 2.264 179.841 177.584 -0.010 0.000 1.175 17 A CA 1.631 53.661 52.037 -0.011 0.000 0.628 17 A CB -0.721 18.272 19.000 -0.012 0.000 0.814 17 A HN 0.397 nan 8.150 nan 0.000 0.444 18 A N -0.309 122.504 122.820 -0.011 0.000 1.930 18 A HA 0.236 4.543 4.320 -0.022 0.000 0.217 18 A C 2.465 180.044 177.584 -0.009 0.000 1.175 18 A CA 1.838 53.869 52.037 -0.010 0.000 0.627 18 A CB -0.867 18.127 19.000 -0.011 0.000 0.815 18 A HN 0.984 nan 8.150 nan 0.000 0.443 19 A N -0.443 122.372 122.820 -0.009 0.000 1.898 19 A HA -0.112 4.195 4.320 -0.022 0.000 0.216 19 A C 2.228 179.807 177.584 -0.007 0.000 1.181 19 A CA 1.504 53.536 52.037 -0.008 0.000 0.620 19 A CB -0.469 18.526 19.000 -0.008 0.000 0.819 19 A HN 0.505 nan 8.150 nan 0.000 0.442 20 R N -0.559 119.936 120.500 -0.007 0.000 2.083 20 R HA -0.169 4.158 4.340 -0.022 0.000 0.237 20 R C 2.428 178.724 176.300 -0.006 0.000 1.137 20 R CA 1.526 57.622 56.100 -0.007 0.000 0.951 20 R CB -0.392 29.904 30.300 -0.007 0.000 0.851 20 R HN 0.501 nan 8.270 nan 0.000 0.434 21 A N 0.421 123.237 122.820 -0.006 0.000 1.902 21 A HA -0.112 4.195 4.320 -0.022 0.000 0.217 21 A C 2.302 179.883 177.584 -0.005 0.000 1.181 21 A CA 1.696 53.730 52.037 -0.006 0.000 0.623 21 A CB -0.726 18.270 19.000 -0.006 0.000 0.818 21 A HN 0.500 nan 8.150 nan 0.000 0.443 22 A N -0.113 122.703 122.820 -0.005 0.000 1.902 22 A HA 0.141 4.448 4.320 -0.022 0.000 0.217 22 A C 2.516 180.097 177.584 -0.004 0.000 1.181 22 A CA 2.202 54.237 52.037 -0.005 0.000 0.623 22 A CB -1.042 17.955 19.000 -0.005 0.000 0.818 22 A HN 1.056 nan 8.150 nan 0.000 0.443 23 A N -0.211 122.606 122.820 -0.004 0.000 1.902 23 A HA 0.173 4.480 4.320 -0.022 0.000 0.217 23 A C 2.518 180.099 177.584 -0.004 0.000 1.181 23 A CA 2.129 54.163 52.037 -0.004 0.000 0.623 23 A CB -1.031 17.966 19.000 -0.004 0.000 0.818 23 A HN 1.054 nan 8.150 nan 0.000 0.443 24 A N 0.052 122.870 122.820 -0.004 0.000 1.898 24 A HA -0.165 4.142 4.320 -0.022 0.000 0.216 24 A C 1.758 179.340 177.584 -0.003 0.000 1.181 24 A CA 1.876 53.911 52.037 -0.003 0.000 0.620 24 A CB -0.606 18.392 19.000 -0.004 0.000 0.819 24 A HN 0.451 nan 8.150 nan 0.000 0.442 25 D N -0.096 120.302 120.400 -0.003 0.000 2.117 25 D HA -0.139 4.488 4.640 -0.022 0.000 0.197 25 D C 1.913 178.212 176.300 -0.002 0.000 0.987 25 D CA 0.844 54.843 54.000 -0.003 0.000 0.829 25 D CB -0.398 40.401 40.800 -0.003 0.000 0.961 25 D HN 0.395 nan 8.370 nan 0.000 0.460 26 L N 0.555 121.777 121.223 -0.003 0.000 1.994 26 L HA -0.187 4.140 4.340 -0.022 0.000 0.208 26 L C 2.243 179.112 176.870 -0.002 0.000 1.071 26 L CA 1.516 56.354 54.840 -0.002 0.000 0.745 26 L CB -0.321 41.737 42.059 -0.003 0.000 0.892 26 L HN -0.010 nan 8.230 nan 0.000 0.431 27 A N -0.461 122.357 122.820 -0.002 0.000 1.972 27 A HA -0.128 4.179 4.320 -0.022 0.000 0.219 27 A C 2.141 179.723 177.584 -0.002 0.000 1.169 27 A CA 1.514 53.550 52.037 -0.002 0.000 0.635 27 A CB -0.617 18.382 19.000 -0.002 0.000 0.810 27 A HN 0.535 nan 8.150 nan 0.000 0.446 28 A N -1.716 121.103 122.820 -0.002 0.000 2.238 28 A HA 0.420 4.727 4.320 -0.022 0.000 0.208 28 A C 1.683 179.266 177.584 -0.001 0.000 1.177 28 A CA 1.093 53.129 52.037 -0.002 0.000 0.804 28 A CB -1.003 17.996 19.000 -0.002 0.000 0.823 28 A HN 1.873 nan 8.150 nan 0.000 0.482 29 G N -0.978 107.821 108.800 -0.001 0.000 2.136 29 G HA2 -0.251 3.696 3.960 -0.022 0.000 0.242 29 G HA3 -0.251 3.696 3.960 -0.022 0.000 0.242 29 G C 0.002 174.901 174.900 -0.001 0.000 0.989 29 G CA 0.306 45.405 45.100 -0.001 0.000 0.682 29 G HN 0.637 nan 8.290 nan 0.000 0.522 30 Q N 0.220 120.019 119.800 -0.001 0.000 2.299 30 Q HA 0.478 4.805 4.340 -0.022 0.000 0.246 30 Q C -0.569 175.430 176.000 -0.001 0.000 0.935 30 Q CA -0.384 55.418 55.803 -0.001 0.000 0.887 30 Q CB 0.850 29.587 28.738 -0.001 0.000 1.223 30 Q HN 0.301 nan 8.270 nan 0.000 0.439 31 D N 0.983 121.382 120.400 -0.001 0.000 2.217 31 D HA 0.233 4.860 4.640 -0.022 0.000 0.248 31 D C -0.981 175.318 176.300 -0.001 0.000 1.008 31 D CA -0.406 53.594 54.000 -0.001 0.000 0.914 31 D CB 1.105 41.904 40.800 -0.001 0.000 1.182 31 D HN 0.250 nan 8.370 nan 0.000 0.451 32 D N 1.006 121.405 120.400 -0.001 0.000 2.277 32 D HA 0.221 4.848 4.640 -0.022 0.000 0.249 32 D C -0.313 175.986 176.300 -0.001 0.000 1.134 32 D CA 0.090 54.089 54.000 -0.001 0.000 0.863 32 D CB 0.893 41.692 40.800 -0.002 0.000 1.143 32 D HN 0.243 nan 8.370 nan 0.000 0.458 33 E N 2.156 122.355 120.200 -0.001 0.000 2.731 33 E HA 0.259 4.596 4.350 -0.022 0.000 0.248 33 E C -2.258 174.342 176.600 -0.000 0.000 1.084 33 E CA -1.497 54.903 56.400 -0.000 0.000 0.776 33 E CB 1.244 30.944 29.700 0.000 0.000 1.404 33 E HN 0.140 nan 8.360 nan 0.000 0.395 34 P HA -0.032 nan 4.420 nan 0.000 0.264 34 P C -0.538 176.762 177.300 0.000 0.000 1.183 34 P CA 0.335 63.435 63.100 -0.000 0.000 0.763 34 P CB 0.509 32.209 31.700 -0.000 0.000 0.807 35 R N 1.385 121.885 120.500 0.000 0.000 2.810 35 R HA 0.639 4.967 4.340 -0.022 0.000 0.266 35 R C -1.177 175.123 176.300 0.001 0.000 1.061 35 R CA -1.065 55.036 56.100 0.001 0.000 0.943 35 R CB 0.909 31.210 30.300 0.002 0.000 1.237 35 R HN 0.185 nan 8.270 nan 0.000 0.459 36 I N 2.240 122.812 120.570 0.003 0.000 2.315 36 I HA 0.258 4.415 4.170 -0.022 0.000 0.291 36 I C 0.139 176.258 176.117 0.003 0.000 1.006 36 I CA -0.873 60.428 61.300 0.002 0.000 1.265 36 I CB 1.339 39.342 38.000 0.005 0.000 1.387 36 I HN 0.295 nan 8.210 nan 0.000 0.475 37 L N 6.086 127.309 121.223 -0.000 0.000 2.453 37 L HA 0.321 4.648 4.340 -0.022 0.000 0.261 37 L C 0.353 177.224 176.870 0.001 0.000 1.179 37 L CA -0.359 54.481 54.840 -0.001 0.000 0.813 37 L CB 0.406 42.462 42.059 -0.005 0.000 1.110 37 L HN 0.579 nan 8.230 nan 0.000 0.466 38 E N 0.529 120.731 120.200 0.003 0.000 2.202 38 E HA 0.522 4.859 4.350 -0.022 0.000 0.272 38 E C -0.705 175.895 176.600 0.001 0.000 0.951 38 E CA -0.840 55.564 56.400 0.007 0.000 0.813 38 E CB 2.059 31.766 29.700 0.012 0.000 1.151 38 E HN 0.664 nan 8.360 nan 0.000 0.398 39 A N 3.608 126.428 122.820 -0.001 0.000 2.351 39 A HA 0.362 4.669 4.320 -0.022 0.000 0.257 39 A C -2.036 175.545 177.584 -0.005 0.000 1.087 39 A CA -1.089 50.942 52.037 -0.011 0.000 0.798 39 A CB -0.251 18.737 19.000 -0.019 0.000 1.033 39 A HN 0.382 nan 8.150 nan 0.000 0.488 40 P HA 0.271 nan 4.420 nan 0.000 0.270 40 P C -0.038 177.262 177.300 -0.000 0.000 1.223 40 P CA 0.108 63.204 63.100 -0.006 0.000 0.785 40 P CB 0.494 32.186 31.700 -0.013 0.000 0.923 41 A N 3.432 126.257 122.820 0.008 0.000 2.555 41 A HA 0.236 4.543 4.320 -0.022 0.000 0.233 41 A C -1.901 175.692 177.584 0.016 0.000 1.060 41 A CA -0.684 51.364 52.037 0.018 0.000 0.759 41 A CB -1.704 17.308 19.000 0.020 0.000 0.995 41 A HN 0.420 nan 8.150 nan 0.000 0.506 42 P HA 0.267 nan 4.420 nan 0.000 0.267 42 P C -0.936 176.382 177.300 0.029 0.000 1.205 42 P CA 0.210 63.330 63.100 0.034 0.000 0.765 42 P CB 0.704 32.442 31.700 0.062 0.000 0.828 43 D N 0.967 121.382 120.400 0.025 0.000 2.636 43 D HA 0.421 5.048 4.640 -0.022 0.000 0.275 43 D C 0.704 177.029 176.300 0.041 0.000 1.130 43 D CA -0.978 53.040 54.000 0.029 0.000 1.031 43 D CB 0.153 40.966 40.800 0.021 0.000 1.451 43 D HN 0.127 nan 8.370 nan 0.000 0.505 44 A N -0.450 122.396 122.820 0.044 0.000 2.024 44 A HA -0.156 4.151 4.320 -0.022 0.000 0.220 44 A C 1.723 179.358 177.584 0.085 0.000 1.164 44 A CA 1.082 53.155 52.037 0.060 0.000 0.643 44 A CB -0.541 18.491 19.000 0.053 0.000 0.806 44 A HN 0.401 nan 8.150 nan 0.000 0.451 45 R N -0.654 119.890 120.500 0.072 0.000 2.310 45 R HA 0.088 4.415 4.340 -0.022 0.000 0.202 45 R C 0.730 177.072 176.300 0.069 0.000 0.933 45 R CA -0.071 56.089 56.100 0.100 0.000 1.054 45 R CB -0.362 29.979 30.300 0.069 0.000 0.985 45 R HN 0.536 nan 8.270 nan 0.000 0.489 46 R N 1.203 121.710 120.500 0.011 0.000 2.438 46 R HA 0.222 4.549 4.340 -0.022 0.000 0.287 46 R C -0.888 175.329 176.300 -0.140 0.000 1.077 46 R CA 0.033 56.071 56.100 -0.104 0.000 1.034 46 R CB 0.984 31.204 30.300 -0.134 0.000 0.993 46 R HN -0.127 nan 8.270 nan 0.000 0.459 47 V N 5.619 125.348 119.914 -0.309 0.000 2.841 47 V HA 0.452 4.559 4.120 -0.022 0.000 0.310 47 V C -1.800 174.069 176.094 -0.376 0.000 1.090 47 V CA -0.698 61.395 62.300 -0.346 0.000 0.930 47 V CB 1.840 33.195 31.823 -0.780 0.000 1.014 47 V HN 0.752 nan 8.190 nan 0.000 0.425 48 Y N 4.322 124.529 120.300 -0.155 0.000 2.352 48 Y HA 0.707 5.244 4.550 -0.022 0.000 0.339 48 Y C 0.071 175.930 175.900 -0.068 0.000 0.992 48 Y CA -0.787 57.261 58.100 -0.087 0.000 1.100 48 Y CB 2.117 40.539 38.460 -0.062 0.000 1.192 48 Y HN 0.412 nan 8.280 nan 0.000 0.458 49 V N 3.868 123.855 119.914 0.122 0.000 2.409 49 V HA 0.365 4.472 4.120 -0.022 0.000 0.291 49 V C -0.770 175.429 176.094 0.176 0.000 1.020 49 V CA -1.053 61.306 62.300 0.099 0.000 0.848 49 V CB 1.535 33.370 31.823 0.019 0.000 0.990 49 V HN 0.726 nan 8.190 nan 0.000 0.430 50 N N 2.508 121.281 118.700 0.122 0.000 2.430 50 N HA 0.470 5.197 4.740 -0.022 0.000 0.292 50 N C -1.033 174.522 175.510 0.074 0.000 1.051 50 N CA -0.516 52.598 53.050 0.107 0.000 0.917 50 N CB 1.530 40.062 38.487 0.076 0.000 1.164 50 N HN 0.723 nan 8.380 nan 0.000 0.484 51 D N 2.084 122.534 120.400 0.084 0.000 2.472 51 D HA 0.360 4.987 4.640 -0.022 0.000 0.234 51 D C -2.131 174.158 176.300 -0.017 0.000 1.088 51 D CA -2.223 51.796 54.000 0.031 0.000 0.882 51 D CB 1.350 42.235 40.800 0.141 0.000 1.037 51 D HN 0.254 nan 8.370 nan 0.000 0.520 52 P HA 0.083 nan 4.420 nan 0.000 0.234 52 P C 0.147 177.382 177.300 -0.107 0.000 1.167 52 P CA 0.588 63.623 63.100 -0.108 0.000 0.763 52 P CB 0.073 31.656 31.700 -0.195 0.000 0.835 53 A N -0.065 122.668 122.820 -0.146 0.000 2.640 53 A HA -0.257 4.051 4.320 -0.022 0.000 0.300 53 A C 0.198 177.717 177.584 -0.108 0.000 1.499 53 A CA 0.969 52.951 52.037 -0.091 0.000 0.759 53 A CB -2.802 16.258 19.000 0.099 0.000 1.048 53 A HN 0.489 nan 8.150 nan 0.000 0.450 54 H N -2.615 116.322 119.070 -0.221 0.000 2.692 54 H HA -0.236 4.307 4.556 -0.022 0.000 0.316 54 H C 0.519 175.709 175.328 -0.230 0.000 1.176 54 H CA 1.651 57.470 56.048 -0.381 0.000 1.142 54 H CB -2.103 27.535 29.762 -0.207 0.000 1.475 54 H HN 1.595 nan 8.280 nan 0.000 0.423 55 F N -4.069 115.938 119.950 0.094 0.000 2.965 55 F HA -0.213 4.301 4.527 -0.022 0.000 0.287 55 F C 1.341 177.312 175.800 0.284 0.000 0.790 55 F CA 0.108 58.223 58.000 0.191 0.000 1.279 55 F CB -1.901 37.213 39.000 0.191 0.000 1.409 55 F HN 0.562 nan 8.300 nan 0.000 0.446 56 A N 0.214 123.224 122.820 0.316 0.000 2.366 56 A HA 0.724 5.031 4.320 -0.022 0.000 0.249 56 A C 1.466 179.222 177.584 0.287 0.000 1.084 56 A CA 0.194 52.357 52.037 0.209 0.000 0.794 56 A CB 0.506 19.560 19.000 0.090 0.000 1.034 56 A HN 0.923 nan 8.150 nan 0.000 0.491 57 A N 0.733 123.628 122.820 0.125 0.000 1.972 57 A HA 0.263 4.571 4.320 -0.022 0.000 0.219 57 A C 1.030 178.738 177.584 0.207 0.000 1.169 57 A CA 1.853 53.950 52.037 0.100 0.000 0.635 57 A CB -0.988 17.994 19.000 -0.030 0.000 0.810 57 A HN 1.921 nan 8.150 nan 0.000 0.446 58 V N -3.058 116.948 119.914 0.155 0.000 2.823 58 V HA 0.803 4.910 4.120 -0.022 0.000 0.312 58 V C -0.408 175.762 176.094 0.126 0.000 1.072 58 V CA -0.045 62.339 62.300 0.138 0.000 0.937 58 V CB 1.385 33.268 31.823 0.100 0.000 1.013 58 V HN 0.520 nan 8.190 nan 0.000 0.430 59 T N 1.387 116.004 114.554 0.104 0.000 2.831 59 T HA 0.805 5.142 4.350 -0.022 0.000 0.287 59 T C -0.831 173.889 174.700 0.033 0.000 1.070 59 T CA -0.821 61.327 62.100 0.079 0.000 1.010 59 T CB 2.198 71.103 68.868 0.061 0.000 1.264 59 T HN 0.874 nan 8.240 nan 0.000 0.532 60 Q N -0.209 119.587 119.800 -0.006 0.000 2.416 60 Q HA 0.509 4.836 4.340 -0.022 0.000 0.281 60 Q C -1.562 174.336 176.000 -0.170 0.000 1.067 60 Q CA -0.815 54.898 55.803 -0.149 0.000 0.809 60 Q CB 3.072 31.629 28.738 -0.302 0.000 1.418 60 Q HN 0.750 nan 8.270 nan 0.000 0.411 61 Q N 1.663 121.301 119.800 -0.270 0.000 2.353 61 Q HA 0.541 4.868 4.340 -0.022 0.000 0.268 61 Q C -1.665 174.135 176.000 -0.333 0.000 1.045 61 Q CA -0.513 55.203 55.803 -0.144 0.000 0.811 61 Q CB 1.117 29.829 28.738 -0.044 0.000 1.305 61 Q HN 0.503 nan 8.270 nan 0.000 0.447 62 F N 2.027 121.951 119.950 -0.044 0.000 2.436 62 F HA 0.436 4.951 4.527 -0.019 0.000 0.340 62 F C -0.282 175.442 175.800 -0.126 0.000 1.113 62 F CA -0.807 57.141 58.000 -0.087 0.000 1.022 62 F CB 1.781 40.718 39.000 -0.105 0.000 1.128 62 F HN 0.211 nan 8.300 nan 0.000 0.466 63 V N 5.365 125.255 119.914 -0.039 0.000 2.350 63 V HA 0.432 4.539 4.120 -0.022 0.000 0.276 63 V C 0.008 175.980 176.094 -0.202 0.000 1.028 63 V CA -0.572 61.573 62.300 -0.258 0.000 0.860 63 V CB 1.044 32.708 31.823 -0.265 0.000 0.990 63 V HN 0.552 nan 8.190 nan 0.000 0.453 64 I N 3.418 123.824 120.570 -0.273 0.000 2.569 64 I HA 0.400 4.557 4.170 -0.022 0.000 0.296 64 I C -0.602 175.403 176.117 -0.187 0.000 1.028 64 I CA -0.634 60.552 61.300 -0.190 0.000 1.082 64 I CB 2.294 40.189 38.000 -0.175 0.000 1.264 64 I HN 0.490 nan 8.210 nan 0.000 0.429 65 D N 4.381 124.712 120.400 -0.114 0.000 2.380 65 D HA 0.191 4.818 4.640 -0.022 0.000 0.230 65 D C 1.128 177.410 176.300 -0.030 0.000 1.154 65 D CA -0.219 53.738 54.000 -0.072 0.000 0.859 65 D CB 1.621 42.390 40.800 -0.051 0.000 1.045 65 D HN 0.701 nan 8.370 nan 0.000 0.495 66 G N 3.495 112.305 108.800 0.017 0.000 2.448 66 G HA2 -0.279 3.668 3.960 -0.022 0.000 0.219 66 G HA3 -0.279 3.668 3.960 -0.022 0.000 0.219 66 G C 1.279 176.234 174.900 0.092 0.000 1.127 66 G CA 0.591 45.771 45.100 0.134 0.000 0.766 66 G HN 0.511 nan 8.290 nan 0.000 0.552 67 E N 1.075 121.303 120.200 0.048 0.000 2.047 67 E HA 0.077 4.414 4.350 -0.022 0.000 0.191 67 E C 2.556 179.158 176.600 0.004 0.000 0.987 67 E CA 1.509 57.922 56.400 0.021 0.000 0.799 67 E CB -0.472 29.235 29.700 0.012 0.000 0.752 67 E HN 0.259 nan 8.360 nan 0.000 0.449 68 A N -0.709 122.108 122.820 -0.005 0.000 2.147 68 A HA 0.375 4.682 4.320 -0.022 0.000 0.211 68 A C 1.565 179.135 177.584 -0.023 0.000 1.160 68 A CA 0.785 52.813 52.037 -0.016 0.000 0.781 68 A CB -0.452 18.536 19.000 -0.020 0.000 0.842 68 A HN 0.509 nan 8.150 nan 0.000 0.475 69 G N -0.436 108.352 108.800 -0.021 0.000 2.289 69 G HA2 -0.235 3.712 3.960 -0.022 0.000 0.280 69 G HA3 -0.235 3.712 3.960 -0.022 0.000 0.280 69 G C -0.012 174.854 174.900 -0.055 0.000 1.089 69 G CA 0.497 45.575 45.100 -0.037 0.000 0.939 69 G HN 0.821 nan 8.290 nan 0.000 0.499 70 R N -0.418 120.050 120.500 -0.054 0.000 2.628 70 R HA 0.583 4.910 4.340 -0.022 0.000 0.288 70 R C -0.183 176.081 176.300 -0.059 0.000 0.980 70 R CA -0.830 55.237 56.100 -0.054 0.000 0.891 70 R CB 1.761 32.036 30.300 -0.042 0.000 1.188 70 R HN 0.137 nan 8.270 nan 0.000 0.450 71 V N 6.840 126.726 119.914 -0.047 0.000 2.439 71 V HA 0.094 4.201 4.120 -0.022 0.000 0.271 71 V C 1.361 177.437 176.094 -0.029 0.000 1.040 71 V CA 0.067 62.353 62.300 -0.023 0.000 1.002 71 V CB 0.815 32.659 31.823 0.036 0.000 1.000 71 V HN 0.739 nan 8.190 nan 0.000 0.477 72 I N 1.915 122.454 120.570 -0.053 0.000 3.956 72 I HA 0.676 4.833 4.170 -0.022 0.000 0.333 72 I C 0.759 176.843 176.117 -0.056 0.000 1.302 72 I CA 0.237 61.504 61.300 -0.055 0.000 1.122 72 I CB 0.325 38.283 38.000 -0.069 0.000 1.013 72 I HN 0.635 nan 8.210 nan 0.000 0.405 73 G N 1.011 109.776 108.800 -0.059 0.000 2.328 73 G HA2 0.560 4.507 3.960 -0.022 0.000 0.295 73 G HA3 0.560 4.507 3.960 -0.022 0.000 0.295 73 G C -1.590 173.247 174.900 -0.104 0.000 1.413 73 G CA -0.798 44.257 45.100 -0.074 0.000 0.817 73 G HN 0.045 nan 8.290 nan 0.000 0.546 74 M N -0.347 119.162 119.600 -0.152 0.000 2.618 74 M HA 0.660 5.127 4.480 -0.022 0.000 0.281 74 M C -1.259 174.885 176.300 -0.259 0.000 1.267 74 M CA -0.680 54.468 55.300 -0.253 0.000 0.845 74 M CB 3.069 35.476 32.600 -0.323 0.000 1.732 74 M HN 0.399 nan 8.290 nan 0.000 0.461 75 I N 0.615 121.002 120.570 -0.305 0.000 2.607 75 I HA 0.302 4.459 4.170 -0.022 0.000 0.290 75 I C -1.339 174.665 176.117 -0.189 0.000 1.129 75 I CA -0.856 60.248 61.300 -0.326 0.000 1.042 75 I CB 2.319 40.001 38.000 -0.530 0.000 1.242 75 I HN 0.514 nan 8.210 nan 0.000 0.421 76 D N 4.205 124.560 120.400 -0.075 0.000 2.255 76 D HA 0.570 5.197 4.640 -0.022 0.000 0.249 76 D C 0.062 176.471 176.300 0.181 0.000 1.078 76 D CA 0.197 54.214 54.000 0.027 0.000 0.896 76 D CB 2.296 43.124 40.800 0.048 0.000 1.194 76 D HN 0.739 nan 8.370 nan 0.000 0.429 77 G N -0.416 108.469 108.800 0.142 0.000 2.733 77 G HA2 0.593 4.540 3.960 -0.022 0.000 0.288 77 G HA3 0.593 4.540 3.960 -0.022 0.000 0.288 77 G C 0.051 175.005 174.900 0.089 0.000 1.373 77 G CA -0.600 44.576 45.100 0.127 0.000 0.895 77 G HN 0.430 nan 8.290 nan 0.000 0.479 78 G N -0.907 107.918 108.800 0.041 0.000 2.975 78 G HA2 0.428 4.375 3.960 -0.022 0.000 0.159 78 G HA3 0.428 4.375 3.960 -0.022 0.000 0.159 78 G C -0.707 174.304 174.900 0.184 0.000 1.525 78 G CA -0.587 44.590 45.100 0.129 0.000 1.075 78 G HN 0.496 nan 8.290 nan 0.000 0.574 79 F N 1.343 121.324 119.950 0.052 0.000 2.445 79 F HA 0.419 4.934 4.527 -0.022 0.000 0.359 79 F C 0.991 176.800 175.800 0.015 0.000 1.101 79 F CA -1.211 56.839 58.000 0.084 0.000 1.177 79 F CB -0.295 38.834 39.000 0.214 0.000 1.110 79 F HN 0.262 nan 8.300 nan 0.000 0.522 80 L N 6.407 127.456 121.223 -0.290 0.000 3.879 80 L HA -0.209 4.118 4.340 -0.022 0.000 0.481 80 L C -2.119 174.605 176.870 -0.243 0.000 1.232 80 L CA -0.436 54.191 54.840 -0.355 0.000 0.736 80 L CB -1.558 40.104 42.059 -0.661 0.000 1.511 80 L HN 0.441 nan 8.230 nan 0.000 0.830 81 P HA 0.056 nan 4.420 nan 0.000 0.274 81 P C -0.451 176.774 177.300 -0.125 0.000 1.231 81 P CA -0.137 62.837 63.100 -0.210 0.000 0.790 81 P CB 0.767 32.298 31.700 -0.282 0.000 0.951 82 N N 2.407 121.039 118.700 -0.113 0.000 2.469 82 N HA 0.288 5.015 4.740 -0.022 0.000 0.253 82 N C -2.346 173.166 175.510 0.004 0.000 0.970 82 N CA -1.315 51.707 53.050 -0.047 0.000 0.940 82 N CB 1.598 40.060 38.487 -0.040 0.000 1.128 82 N HN 0.347 nan 8.380 nan 0.000 0.503 83 P HA 0.250 nan 4.420 nan 0.000 0.286 83 P C -0.718 176.543 177.300 -0.066 0.000 1.261 83 P CA -0.455 62.653 63.100 0.014 0.000 0.821 83 P CB 1.653 33.351 31.700 -0.003 0.000 1.013 84 V N 0.180 120.057 119.914 -0.061 0.000 2.925 84 V HA 0.714 4.821 4.120 -0.022 0.000 0.311 84 V C -0.832 175.160 176.094 -0.169 0.000 1.104 84 V CA -1.010 61.227 62.300 -0.106 0.000 0.954 84 V CB 2.065 33.881 31.823 -0.011 0.000 1.022 84 V HN 0.262 nan 8.190 nan 0.000 0.427 85 V N 2.424 122.195 119.914 -0.237 0.000 2.577 85 V HA 0.804 4.911 4.120 -0.022 0.000 0.303 85 V C 0.623 176.526 176.094 -0.319 0.000 1.042 85 V CA -0.193 61.901 62.300 -0.344 0.000 0.872 85 V CB 1.744 33.299 31.823 -0.448 0.000 0.998 85 V HN 1.465 nan 8.190 nan 0.000 0.423 86 A N 2.486 124.981 122.820 -0.542 0.000 2.492 86 A HA 0.225 4.532 4.320 -0.022 0.000 0.254 86 A C 1.080 178.510 177.584 -0.256 0.000 1.091 86 A CA -0.076 51.632 52.037 -0.548 0.000 0.768 86 A CB -0.029 18.330 19.000 -1.068 0.000 1.028 86 A HN 0.891 nan 8.150 nan 0.000 0.498 87 D N 1.431 121.753 120.400 -0.129 0.000 2.221 87 D HA -0.155 4.472 4.640 -0.022 0.000 0.204 87 D C 1.020 177.293 176.300 -0.044 0.000 0.982 87 D CA 1.829 55.797 54.000 -0.053 0.000 0.857 87 D CB 0.027 40.822 40.800 -0.009 0.000 0.934 87 D HN 0.821 nan 8.370 nan 0.000 0.475 88 D N -0.952 119.412 120.400 -0.059 0.000 2.340 88 D HA 0.075 4.702 4.640 -0.022 0.000 0.220 88 D C 1.452 177.738 176.300 -0.025 0.000 1.039 88 D CA 0.725 54.710 54.000 -0.024 0.000 0.866 88 D CB -0.354 40.446 40.800 -0.000 0.000 0.913 88 D HN 0.144 nan 8.370 nan 0.000 0.523 89 G N 0.466 109.229 108.800 -0.062 0.000 2.168 89 G HA2 -0.371 3.576 3.960 -0.022 0.000 0.257 89 G HA3 -0.371 3.576 3.960 -0.022 0.000 0.257 89 G C 1.107 176.003 174.900 -0.006 0.000 0.997 89 G CA 0.966 46.050 45.100 -0.027 0.000 0.708 89 G HN 0.676 nan 8.290 nan 0.000 0.520 90 S N -0.935 114.749 115.700 -0.027 0.000 2.489 90 S HA 0.521 4.978 4.470 -0.022 0.000 0.228 90 S C 0.616 175.361 174.600 0.240 0.000 0.995 90 S CA 1.075 59.339 58.200 0.106 0.000 0.934 90 S CB -0.232 63.075 63.200 0.179 0.000 0.771 90 S HN 1.934 nan 8.310 nan 0.000 0.522 91 F N -0.487 119.496 119.950 0.054 0.000 2.842 91 F HA 0.707 5.221 4.527 -0.021 0.000 0.319 91 F C -1.656 174.167 175.800 0.038 0.000 1.159 91 F CA -2.040 55.995 58.000 0.058 0.000 0.902 91 F CB 0.725 39.753 39.000 0.047 0.000 1.311 91 F HN 0.092 nan 8.300 nan 0.000 0.453 92 I N 0.059 120.835 120.570 0.343 0.000 2.969 92 I HA 1.058 5.215 4.170 -0.022 0.000 0.307 92 I C -1.018 175.326 176.117 0.379 0.000 1.149 92 I CA -1.127 60.266 61.300 0.155 0.000 1.008 92 I CB 1.892 39.875 38.000 -0.027 0.000 1.232 92 I HN 1.266 nan 8.210 nan 0.000 0.435 93 A N 2.591 125.557 122.820 0.244 0.000 2.581 93 A HA 0.872 5.179 4.320 -0.022 0.000 0.290 93 A C -1.546 176.150 177.584 0.186 0.000 1.119 93 A CA -0.509 51.669 52.037 0.235 0.000 0.670 93 A CB 1.609 20.754 19.000 0.242 0.000 1.280 93 A HN 1.171 nan 8.150 nan 0.000 0.425 94 H N -1.526 117.624 119.070 0.133 0.000 3.064 94 H HA 0.775 5.318 4.556 -0.022 0.000 0.352 94 H C -0.685 174.590 175.328 -0.088 0.000 1.260 94 H CA -0.661 55.403 56.048 0.027 0.000 1.160 94 H CB 1.700 31.488 29.762 0.043 0.000 1.879 94 H HN 1.171 nan 8.280 nan 0.000 0.544 95 A N 2.116 124.899 122.820 -0.062 0.000 2.274 95 A HA 0.547 4.854 4.320 -0.022 0.000 0.309 95 A C -0.238 177.050 177.584 -0.492 0.000 1.226 95 A CA -0.193 51.675 52.037 -0.282 0.000 0.853 95 A CB 1.231 20.087 19.000 -0.239 0.000 1.146 95 A HN 0.653 nan 8.150 nan 0.000 0.518 96 S N 0.740 115.952 115.700 -0.813 0.000 2.704 96 S HA 0.867 5.324 4.470 -0.022 0.000 0.296 96 S C -0.621 173.572 174.600 -0.678 0.000 1.138 96 S CA -0.345 57.343 58.200 -0.853 0.000 0.875 96 S CB 1.775 64.288 63.200 -1.145 0.000 1.151 96 S HN 0.790 nan 8.310 nan 0.000 0.500 97 T N 1.632 116.019 114.554 -0.279 0.000 2.928 97 T HA 0.632 4.969 4.350 -0.022 0.000 0.296 97 T C -0.820 173.863 174.700 -0.029 0.000 1.000 97 T CA -0.533 61.496 62.100 -0.119 0.000 0.989 97 T CB 1.172 70.001 68.868 -0.065 0.000 1.005 97 T HN 0.924 nan 8.240 nan 0.000 0.442 98 V N 0.205 120.025 119.914 -0.157 0.000 3.141 98 V HA 0.945 5.052 4.120 -0.022 0.000 0.312 98 V C -1.572 174.175 176.094 -0.577 0.000 1.157 98 V CA -1.220 60.979 62.300 -0.167 0.000 1.041 98 V CB 1.841 33.664 31.823 0.000 0.000 1.071 98 V HN 0.739 nan 8.190 nan 0.000 0.441 99 F N 0.059 120.017 119.950 0.013 0.000 2.588 99 F HA 0.600 5.111 4.527 -0.026 0.000 0.314 99 F C 1.502 177.288 175.800 -0.022 0.000 1.069 99 F CA -0.086 57.905 58.000 -0.015 0.000 0.931 99 F CB 2.495 41.469 39.000 -0.043 0.000 1.260 99 F HN 0.686 nan 8.300 nan 0.000 0.465 100 S N 0.485 116.270 115.700 0.142 0.000 2.419 100 S HA -0.013 4.445 4.470 -0.022 0.000 0.233 100 S C 0.922 175.559 174.600 0.062 0.000 1.016 100 S CA 0.886 59.126 58.200 0.066 0.000 0.974 100 S CB -0.118 63.107 63.200 0.042 0.000 0.786 100 S HN 0.509 nan 8.310 nan 0.000 0.492 101 R N 0.521 121.068 120.500 0.079 0.000 2.835 101 R HA 0.520 4.847 4.340 -0.022 0.000 0.290 101 R C -0.010 176.301 176.300 0.018 0.000 1.410 101 R CA -0.097 56.023 56.100 0.033 0.000 1.590 101 R CB -0.633 29.671 30.300 0.008 0.000 1.288 101 R HN 0.395 nan 8.270 nan 0.000 0.637 102 I N -0.232 120.367 120.570 0.048 0.000 4.773 102 I HA -0.492 3.665 4.170 -0.022 0.000 0.042 102 I C 1.137 177.244 176.117 -0.016 0.000 0.630 102 I CA 2.509 63.824 61.300 0.026 0.000 0.606 102 I CB -1.083 36.904 38.000 -0.022 0.000 0.584 102 I HN 0.438 nan 8.210 nan 0.000 0.154 103 A N 0.994 123.704 122.820 -0.184 0.000 2.585 103 A HA 0.560 4.867 4.320 -0.022 0.000 0.266 103 A C 0.568 177.734 177.584 -0.697 0.000 1.178 103 A CA 0.426 52.154 52.037 -0.514 0.000 0.966 103 A CB 0.056 18.807 19.000 -0.415 0.000 1.170 103 A HN 0.566 nan 8.150 nan 0.000 0.558 104 R N -2.774 117.515 120.500 -0.351 0.000 2.795 104 R HA 0.760 5.087 4.340 -0.022 0.000 0.268 104 R C 0.433 176.729 176.300 -0.006 0.000 1.041 104 R CA -0.256 55.705 56.100 -0.231 0.000 0.927 104 R CB 0.290 30.493 30.300 -0.161 0.000 1.235 104 R HN 1.212 nan 8.270 nan 0.000 0.463 105 G N 0.593 109.414 108.800 0.036 0.000 2.482 105 G HA2 -0.227 3.720 3.960 -0.022 0.000 0.214 105 G HA3 -0.227 3.720 3.960 -0.022 0.000 0.214 105 G C -1.107 173.881 174.900 0.146 0.000 1.271 105 G CA -0.027 45.120 45.100 0.078 0.000 0.944 105 G HN 0.886 nan 8.290 nan 0.000 0.568 106 E N 0.508 120.772 120.200 0.107 0.000 2.324 106 E HA 0.376 4.713 4.350 -0.022 0.000 0.271 106 E C 0.784 177.426 176.600 0.072 0.000 1.028 106 E CA -0.377 56.070 56.400 0.078 0.000 0.890 106 E CB 0.380 30.093 29.700 0.023 0.000 1.004 106 E HN 0.595 nan 8.360 nan 0.000 0.431 107 R N 3.021 123.538 120.500 0.027 0.000 2.349 107 R HA 0.255 4.582 4.340 -0.022 0.000 0.299 107 R C -1.156 175.015 176.300 -0.216 0.000 1.027 107 R CA -0.190 55.771 56.100 -0.232 0.000 0.958 107 R CB 1.205 31.434 30.300 -0.118 0.000 1.047 107 R HN 0.400 nan 8.270 nan 0.000 0.468 108 T N 3.697 118.075 114.554 -0.292 0.000 2.890 108 T HA 0.215 4.552 4.350 -0.022 0.000 0.295 108 T C -1.442 173.218 174.700 -0.066 0.000 0.993 108 T CA -0.758 61.256 62.100 -0.143 0.000 0.979 108 T CB 1.383 70.180 68.868 -0.117 0.000 0.967 108 T HN 0.517 nan 8.240 nan 0.000 0.441 109 D N 2.684 123.042 120.400 -0.070 0.000 2.177 109 D HA 0.584 5.211 4.640 -0.022 0.000 0.247 109 D C -0.532 175.762 176.300 -0.011 0.000 1.063 109 D CA 0.067 54.001 54.000 -0.110 0.000 0.867 109 D CB 0.974 41.640 40.800 -0.223 0.000 1.168 109 D HN 0.579 nan 8.370 nan 0.000 0.445 110 Y N -1.272 118.905 120.300 -0.204 0.000 2.670 110 Y HA 0.690 5.235 4.550 -0.007 0.000 0.334 110 Y C -1.669 174.159 175.900 -0.120 0.000 1.185 110 Y CA -1.338 56.672 58.100 -0.151 0.000 1.053 110 Y CB 0.662 39.057 38.460 -0.108 0.000 1.298 110 Y HN 0.072 nan 8.280 nan 0.000 0.459 111 V N 1.924 121.826 119.914 -0.021 0.000 2.487 111 V HA 0.432 4.539 4.120 -0.022 0.000 0.298 111 V C -0.712 175.434 176.094 0.086 0.000 1.028 111 V CA -0.712 61.570 62.300 -0.030 0.000 0.860 111 V CB 1.507 33.331 31.823 0.001 0.000 0.991 111 V HN 0.819 nan 8.190 nan 0.000 0.427 112 E N 2.847 123.115 120.200 0.113 0.000 2.199 112 E HA 0.656 4.993 4.350 -0.022 0.000 0.269 112 E C -1.468 174.936 176.600 -0.327 0.000 0.899 112 E CA -0.577 55.764 56.400 -0.099 0.000 0.772 112 E CB 2.680 32.331 29.700 -0.083 0.000 1.155 112 E HN 0.430 nan 8.360 nan 0.000 0.408 113 V N 3.817 123.452 119.914 -0.465 0.000 2.513 113 V HA 0.479 4.586 4.120 -0.022 0.000 0.299 113 V C -0.824 174.958 176.094 -0.519 0.000 1.035 113 V CA -0.638 61.460 62.300 -0.336 0.000 0.889 113 V CB 0.897 32.555 31.823 -0.275 0.000 0.988 113 V HN 0.512 nan 8.190 nan 0.000 0.440 114 F N 1.361 121.325 119.950 0.024 0.000 2.546 114 F HA 0.418 4.932 4.527 -0.022 0.000 0.320 114 F C 0.300 176.147 175.800 0.079 0.000 1.076 114 F CA -0.838 57.178 58.000 0.027 0.000 0.928 114 F CB 1.362 40.359 39.000 -0.006 0.000 1.189 114 F HN 0.449 nan 8.300 nan 0.000 0.465 115 D N 4.403 124.952 120.400 0.249 0.000 2.383 115 D HA 0.071 4.698 4.640 -0.022 0.000 0.252 115 D C -1.580 174.832 176.300 0.186 0.000 1.166 115 D CA -1.603 52.505 54.000 0.179 0.000 0.879 115 D CB 1.673 42.546 40.800 0.122 0.000 1.164 115 D HN 0.219 nan 8.370 nan 0.000 0.462 116 P HA -0.098 nan 4.420 nan 0.000 0.225 116 P C 1.172 178.530 177.300 0.096 0.000 1.148 116 P CA 0.431 63.618 63.100 0.145 0.000 0.779 116 P CB 0.654 32.436 31.700 0.136 0.000 0.780 117 V N 0.106 120.070 119.914 0.082 0.000 2.806 117 V HA -0.045 4.062 4.120 -0.022 0.000 0.239 117 V C 2.704 178.824 176.094 0.044 0.000 1.113 117 V CA 2.096 64.428 62.300 0.052 0.000 1.137 117 V CB -1.026 30.825 31.823 0.047 0.000 0.865 117 V HN 0.225 nan 8.190 nan 0.000 0.482 118 T N -2.843 111.745 114.554 0.058 0.000 3.067 118 T HA 0.055 4.392 4.350 -0.022 0.000 0.257 118 T C 1.151 175.887 174.700 0.059 0.000 1.105 118 T CA 0.294 62.424 62.100 0.051 0.000 1.104 118 T CB 0.217 69.117 68.868 0.053 0.000 0.925 118 T HN 0.112 nan 8.240 nan 0.000 0.498 119 L N -0.480 120.793 121.223 0.084 0.000 4.625 119 L HA -0.092 4.235 4.340 -0.022 0.000 0.428 119 L C -0.107 176.879 176.870 0.193 0.000 1.129 119 L CA 0.266 55.159 54.840 0.088 0.000 0.978 119 L CB -1.835 40.217 42.059 -0.012 0.000 2.043 119 L HN 0.385 nan 8.230 nan 0.000 0.847 120 L N 1.498 122.833 121.223 0.186 0.000 2.395 120 L HA 0.414 4.741 4.340 -0.022 0.000 0.269 120 L C -1.504 175.499 176.870 0.222 0.000 1.133 120 L CA -1.335 53.619 54.840 0.189 0.000 0.812 120 L CB 0.294 42.410 42.059 0.095 0.000 1.125 120 L HN -0.063 nan 8.230 nan 0.000 0.452 121 P HA 0.110 nan 4.420 nan 0.000 0.271 121 P C 0.213 177.441 177.300 -0.120 0.000 1.216 121 P CA -0.085 62.908 63.100 -0.178 0.000 0.771 121 P CB 0.629 32.203 31.700 -0.210 0.000 0.864 122 T N -0.571 113.883 114.554 -0.168 0.000 3.010 122 T HA 0.543 4.880 4.350 -0.022 0.000 0.257 122 T C 0.440 175.064 174.700 -0.127 0.000 1.020 122 T CA -0.145 61.893 62.100 -0.103 0.000 0.938 122 T CB 0.197 69.022 68.868 -0.071 0.000 1.049 122 T HN 0.595 nan 8.240 nan 0.000 0.522 123 A N 0.688 123.400 122.820 -0.180 0.000 2.577 123 A HA 0.618 4.925 4.320 -0.022 0.000 0.297 123 A C -2.130 175.369 177.584 -0.142 0.000 1.060 123 A CA -0.683 51.269 52.037 -0.141 0.000 0.697 123 A CB 1.546 20.461 19.000 -0.142 0.000 1.281 123 A HN 0.135 nan 8.150 nan 0.000 0.402 124 D N 2.251 122.606 120.400 -0.076 0.000 2.386 124 D HA 0.467 5.094 4.640 -0.022 0.000 0.247 124 D C -1.363 174.941 176.300 0.007 0.000 1.336 124 D CA 0.019 54.003 54.000 -0.027 0.000 0.976 124 D CB 0.815 41.581 40.800 -0.057 0.000 1.257 124 D HN 0.449 nan 8.370 nan 0.000 0.570 125 I N 2.727 123.326 120.570 0.049 0.000 2.328 125 I HA 0.234 4.391 4.170 -0.022 0.000 0.287 125 I C 0.659 176.823 176.117 0.077 0.000 1.012 125 I CA -0.752 60.583 61.300 0.058 0.000 1.195 125 I CB 1.680 39.720 38.000 0.066 0.000 1.350 125 I HN 0.219 nan 8.210 nan 0.000 0.464 126 E N 6.926 127.155 120.200 0.048 0.000 2.373 126 E HA 0.326 4.663 4.350 -0.022 0.000 0.267 126 E C -1.160 175.414 176.600 -0.044 0.000 1.032 126 E CA -0.476 55.935 56.400 0.018 0.000 0.889 126 E CB 0.917 30.608 29.700 -0.015 0.000 0.984 126 E HN 0.524 nan 8.360 nan 0.000 0.425 127 L N 6.641 127.786 121.223 -0.131 0.000 2.280 127 L HA 0.387 4.714 4.340 -0.022 0.000 0.287 127 L C -2.147 174.522 176.870 -0.335 0.000 1.023 127 L CA -2.372 52.277 54.840 -0.319 0.000 0.819 127 L CB 1.292 43.127 42.059 -0.373 0.000 1.212 127 L HN 0.449 nan 8.230 nan 0.000 0.420 128 P HA 0.009 nan 4.420 nan 0.000 0.265 128 P C -0.377 176.792 177.300 -0.219 0.000 1.193 128 P CA 0.126 63.054 63.100 -0.286 0.000 0.765 128 P CB 0.335 31.867 31.700 -0.278 0.000 0.823 129 D N 1.627 121.955 120.400 -0.120 0.000 2.837 129 D HA -0.233 4.394 4.640 -0.022 0.000 0.230 129 D C -0.063 176.200 176.300 -0.062 0.000 1.152 129 D CA 1.335 55.292 54.000 -0.072 0.000 0.736 129 D CB -1.537 39.234 40.800 -0.049 0.000 1.084 129 D HN 0.714 nan 8.370 nan 0.000 0.429 130 A N -0.542 122.225 122.820 -0.088 0.000 2.154 130 A HA -0.172 4.135 4.320 -0.022 0.000 0.274 130 A C -0.672 176.892 177.584 -0.033 0.000 1.373 130 A CA 0.909 52.901 52.037 -0.075 0.000 0.751 130 A CB -0.648 18.331 19.000 -0.035 0.000 1.149 130 A HN 0.338 nan 8.150 nan 0.000 0.337 131 P HA 0.014 nan 4.420 nan 0.000 0.255 131 P C 0.449 177.836 177.300 0.145 0.000 1.248 131 P CA 0.125 63.273 63.100 0.081 0.000 0.807 131 P CB 0.208 32.019 31.700 0.184 0.000 1.150 132 R N 0.283 120.777 120.500 -0.010 0.000 2.623 132 R HA 0.159 4.486 4.340 -0.022 0.000 0.271 132 R C 0.004 176.431 176.300 0.211 0.000 1.043 132 R CA -0.314 55.800 56.100 0.025 0.000 1.083 132 R CB 0.068 30.282 30.300 -0.144 0.000 0.974 132 R HN 0.040 nan 8.270 nan 0.000 0.436 133 F N 4.450 124.459 119.950 0.098 0.000 2.413 133 F HA 0.216 4.729 4.527 -0.023 0.000 0.359 133 F C -0.494 175.315 175.800 0.015 0.000 1.122 133 F CA -1.162 56.912 58.000 0.123 0.000 1.160 133 F CB 0.254 39.414 39.000 0.266 0.000 1.146 133 F HN 0.277 nan 8.300 nan 0.000 0.514 134 L N 8.170 129.340 121.223 -0.089 0.000 2.295 134 L HA 0.531 4.858 4.340 -0.022 0.000 0.288 134 L C -0.241 176.245 176.870 -0.639 0.000 1.079 134 L CA -0.556 54.087 54.840 -0.329 0.000 0.830 134 L CB 0.680 42.675 42.059 -0.106 0.000 1.200 134 L HN 0.505 nan 8.230 nan 0.000 0.438 135 V N 2.309 121.773 119.914 -0.751 0.000 3.216 135 V HA 0.683 4.790 4.120 -0.022 0.000 0.302 135 V C 0.237 176.048 176.094 -0.471 0.000 1.286 135 V CA -0.453 61.391 62.300 -0.759 0.000 1.048 135 V CB 2.321 33.361 31.823 -1.305 0.000 1.081 135 V HN 0.695 nan 8.190 nan 0.000 0.442 136 G N 1.845 110.526 108.800 -0.198 0.000 2.287 136 G HA2 0.266 4.213 3.960 -0.022 0.000 0.235 136 G HA3 0.266 4.213 3.960 -0.022 0.000 0.235 136 G C 0.166 175.072 174.900 0.010 0.000 1.258 136 G CA 0.597 45.810 45.100 0.187 0.000 0.884 136 G HN 1.074 nan 8.290 nan 0.000 0.518 137 T N 2.926 117.634 114.554 0.256 0.000 2.758 137 T HA 0.079 4.416 4.350 -0.022 0.000 0.281 137 T C -0.648 174.348 174.700 0.494 0.000 0.963 137 T CA 0.699 62.946 62.100 0.244 0.000 1.201 137 T CB -0.210 68.800 68.868 0.236 0.000 0.906 137 T HN 0.296 nan 8.240 nan 0.000 0.528 138 Y N 4.076 124.428 120.300 0.087 0.000 2.356 138 Y HA 0.330 4.869 4.550 -0.020 0.000 0.334 138 Y C -1.730 174.137 175.900 -0.055 0.000 0.958 138 Y CA -3.602 54.440 58.100 -0.097 0.000 1.196 138 Y CB 1.008 39.374 38.460 -0.156 0.000 1.137 138 Y HN 0.437 nan 8.280 nan 0.000 0.485 139 P HA -0.194 nan 4.420 nan 0.000 0.216 139 P C 0.377 177.412 177.300 -0.442 0.000 1.154 139 P CA 1.987 64.946 63.100 -0.234 0.000 0.865 139 P CB 0.100 31.596 31.700 -0.339 0.000 0.789 140 W N -2.093 119.288 121.300 0.134 0.000 3.364 140 W HA 0.222 4.870 4.660 -0.020 0.000 0.397 140 W C 1.370 177.874 176.519 -0.026 0.000 1.107 140 W CA -0.181 57.188 57.345 0.041 0.000 1.892 140 W CB -0.413 29.024 29.460 -0.038 0.000 1.027 140 W HN -0.092 nan 8.180 nan 0.000 0.761 141 M N -0.453 119.222 119.600 0.125 0.000 2.371 141 M HA 0.193 4.660 4.480 -0.022 0.000 0.246 141 M C -0.072 176.317 176.300 0.148 0.000 1.103 141 M CA 0.901 56.273 55.300 0.119 0.000 1.010 141 M CB -0.162 32.539 32.600 0.169 0.000 1.457 141 M HN -0.342 nan 8.290 nan 0.000 0.486 142 T N 0.284 114.889 114.554 0.085 0.000 3.143 142 T HA 0.484 4.821 4.350 -0.022 0.000 0.312 142 T C -0.679 174.047 174.700 0.044 0.000 0.986 142 T CA -0.429 61.729 62.100 0.098 0.000 1.024 142 T CB 1.964 70.883 68.868 0.085 0.000 1.030 142 T HN -0.002 nan 8.240 nan 0.000 0.448 143 S N 2.396 118.154 115.700 0.097 0.000 2.595 143 S HA 0.741 5.198 4.470 -0.022 0.000 0.281 143 S C -0.950 173.758 174.600 0.181 0.000 1.117 143 S CA -0.928 57.369 58.200 0.162 0.000 0.873 143 S CB 1.394 64.806 63.200 0.353 0.000 1.108 143 S HN 0.522 nan 8.310 nan 0.000 0.477 144 L N 2.015 123.375 121.223 0.228 0.000 2.334 144 L HA 0.535 4.862 4.340 -0.022 0.000 0.275 144 L C 0.696 177.727 176.870 0.268 0.000 1.036 144 L CA -0.728 54.251 54.840 0.231 0.000 0.807 144 L CB 1.706 43.889 42.059 0.208 0.000 1.231 144 L HN 0.833 nan 8.230 nan 0.000 0.438 145 T N -1.486 113.218 114.554 0.250 0.000 2.868 145 T HA 0.176 4.513 4.350 -0.022 0.000 0.292 145 T C -1.638 173.194 174.700 0.221 0.000 1.028 145 T CA -1.523 60.731 62.100 0.257 0.000 1.059 145 T CB 0.887 69.900 68.868 0.243 0.000 0.991 145 T HN 0.463 nan 8.240 nan 0.000 0.531 146 P HA -0.160 nan 4.420 nan 0.000 0.218 146 P C 0.830 178.207 177.300 0.129 0.000 1.146 146 P CA 1.384 64.577 63.100 0.156 0.000 0.813 146 P CB -0.063 31.720 31.700 0.139 0.000 0.778 147 D N -1.219 119.260 120.400 0.133 0.000 2.363 147 D HA 0.036 4.663 4.640 -0.022 0.000 0.220 147 D C 1.542 177.935 176.300 0.154 0.000 0.994 147 D CA 0.813 54.885 54.000 0.119 0.000 0.890 147 D CB -1.227 39.634 40.800 0.101 0.000 0.906 147 D HN 0.262 nan 8.370 nan 0.000 0.530 148 G N 0.587 109.502 108.800 0.192 0.000 2.155 148 G HA2 -0.394 3.553 3.960 -0.022 0.000 0.257 148 G HA3 -0.394 3.553 3.960 -0.022 0.000 0.257 148 G C 0.966 176.044 174.900 0.297 0.000 0.983 148 G CA 0.636 45.911 45.100 0.290 0.000 0.676 148 G HN 0.483 nan 8.290 nan 0.000 0.528 149 K N -0.562 119.951 120.400 0.188 0.000 2.361 149 K HA 0.178 4.486 4.320 -0.022 0.000 0.194 149 K C 0.502 177.171 176.600 0.116 0.000 1.032 149 K CA 0.924 57.284 56.287 0.121 0.000 1.048 149 K CB 0.525 33.079 32.500 0.091 0.000 0.842 149 K HN 0.346 nan 8.250 nan 0.000 0.526 150 T N 0.918 115.569 114.554 0.161 0.000 2.893 150 T HA 0.417 4.754 4.350 -0.022 0.000 0.293 150 T C -1.388 173.419 174.700 0.178 0.000 1.027 150 T CA -0.661 61.537 62.100 0.163 0.000 0.988 150 T CB 2.090 71.081 68.868 0.206 0.000 1.043 150 T HN 0.007 nan 8.240 nan 0.000 0.461 151 L N 3.690 125.006 121.223 0.156 0.000 2.341 151 L HA 0.736 5.063 4.340 -0.022 0.000 0.278 151 L C -1.677 175.269 176.870 0.127 0.000 1.005 151 L CA -0.935 54.003 54.840 0.164 0.000 0.818 151 L CB 0.883 43.050 42.059 0.179 0.000 1.259 151 L HN 0.575 nan 8.230 nan 0.000 0.418 152 L N 5.429 126.694 121.223 0.069 0.000 2.346 152 L HA 0.597 4.924 4.340 -0.022 0.000 0.276 152 L C -0.875 176.005 176.870 0.017 0.000 1.006 152 L CA -0.629 54.153 54.840 -0.097 0.000 0.817 152 L CB 1.691 43.559 42.059 -0.319 0.000 1.272 152 L HN 0.564 nan 8.230 nan 0.000 0.421 153 F N 0.936 120.858 119.950 -0.047 0.000 2.603 153 F HA 0.598 5.115 4.527 -0.017 0.000 0.317 153 F C -1.184 174.651 175.800 0.058 0.000 1.066 153 F CA -1.290 56.722 58.000 0.021 0.000 0.941 153 F CB 1.051 40.072 39.000 0.036 0.000 1.291 153 F HN 0.271 nan 8.300 nan 0.000 0.472 154 Y N 2.216 122.623 120.300 0.178 0.000 2.334 154 Y HA 0.433 4.970 4.550 -0.021 0.000 0.328 154 Y C -0.521 175.514 175.900 0.225 0.000 1.130 154 Y CA -0.474 57.681 58.100 0.090 0.000 1.163 154 Y CB 1.338 39.866 38.460 0.114 0.000 1.207 154 Y HN 0.853 nan 8.280 nan 0.000 0.471 155 Q N 5.545 124.949 119.800 -0.660 0.000 2.333 155 Q HA 0.227 4.554 4.340 -0.022 0.000 0.267 155 Q C -0.935 174.529 176.000 -0.893 0.000 1.012 155 Q CA -0.552 54.994 55.803 -0.427 0.000 0.824 155 Q CB 1.200 29.810 28.738 -0.214 0.000 1.290 155 Q HN 0.882 nan 8.270 nan 0.000 0.449 156 F N 2.164 121.706 119.950 -0.679 0.000 2.243 156 F HA 0.293 4.806 4.527 -0.023 0.000 0.287 156 F C 0.504 176.138 175.800 -0.277 0.000 1.067 156 F CA 0.454 58.086 58.000 -0.614 0.000 1.304 156 F CB 0.629 39.096 39.000 -0.889 0.000 1.087 156 F HN 0.463 nan 8.300 nan 0.000 0.513 157 S N 0.564 116.192 115.700 -0.120 0.000 2.568 157 S HA 0.424 4.881 4.470 -0.022 0.000 0.302 157 S C -1.784 172.772 174.600 -0.073 0.000 1.082 157 S CA -1.496 56.616 58.200 -0.145 0.000 1.009 157 S CB 1.388 64.623 63.200 0.059 0.000 1.069 157 S HN 0.102 nan 8.310 nan 0.000 0.500 158 P HA 0.253 nan 4.420 nan 0.000 0.236 158 P C -0.175 177.016 177.300 -0.181 0.000 1.177 158 P CA 0.278 63.312 63.100 -0.109 0.000 0.773 158 P CB 0.138 31.802 31.700 -0.060 0.000 0.878 159 A N -0.016 122.678 122.820 -0.210 0.000 2.549 159 A HA 0.635 4.942 4.320 -0.022 0.000 0.297 159 A C -3.088 174.318 177.584 -0.297 0.000 1.061 159 A CA -1.844 50.054 52.037 -0.233 0.000 0.690 159 A CB 0.734 19.644 19.000 -0.150 0.000 1.287 159 A HN -0.231 nan 8.150 nan 0.000 0.402 160 P HA 0.390 nan 4.420 nan 0.000 0.262 160 P C -0.282 176.838 177.300 -0.300 0.000 1.182 160 P CA 0.756 63.643 63.100 -0.356 0.000 0.761 160 P CB 0.856 32.425 31.700 -0.218 0.000 0.795 161 A N 2.633 125.201 122.820 -0.420 0.000 2.608 161 A HA 0.600 4.907 4.320 -0.022 0.000 0.292 161 A C -1.581 175.800 177.584 -0.338 0.000 1.066 161 A CA -0.487 51.381 52.037 -0.281 0.000 0.676 161 A CB 1.160 20.028 19.000 -0.220 0.000 1.277 161 A HN 0.244 nan 8.150 nan 0.000 0.413 162 V N 1.105 120.860 119.914 -0.266 0.000 2.444 162 V HA 0.658 4.765 4.120 -0.022 0.000 0.294 162 V C 0.824 176.592 176.094 -0.544 0.000 1.022 162 V CA -0.032 62.037 62.300 -0.385 0.000 0.850 162 V CB 1.606 33.242 31.823 -0.312 0.000 0.992 162 V HN 1.409 nan 8.190 nan 0.000 0.426 163 G N 3.320 111.508 108.800 -1.020 0.000 2.415 163 G HA2 0.521 4.468 3.960 -0.022 0.000 0.269 163 G HA3 0.521 4.468 3.960 -0.022 0.000 0.269 163 G C -0.706 173.839 174.900 -0.591 0.000 1.209 163 G CA -0.279 44.239 45.100 -0.970 0.000 0.835 163 G HN 0.564 nan 8.290 nan 0.000 0.534 164 V N 2.354 122.080 119.914 -0.313 0.000 2.384 164 V HA 0.380 4.487 4.120 -0.022 0.000 0.287 164 V C -0.202 175.836 176.094 -0.092 0.000 1.020 164 V CA -0.628 61.540 62.300 -0.220 0.000 0.850 164 V CB 1.453 33.128 31.823 -0.246 0.000 0.987 164 V HN 0.500 nan 8.190 nan 0.000 0.436 165 V N 3.555 123.518 119.914 0.081 0.000 2.409 165 V HA 0.360 4.467 4.120 -0.022 0.000 0.291 165 V C -0.373 175.774 176.094 0.089 0.000 1.020 165 V CA -0.600 61.788 62.300 0.146 0.000 0.848 165 V CB 1.973 33.954 31.823 0.264 0.000 0.990 165 V HN 0.928 nan 8.190 nan 0.000 0.430 166 D N 4.287 124.719 120.400 0.053 0.000 2.393 166 D HA 0.253 4.880 4.640 -0.022 0.000 0.232 166 D C 0.939 177.253 176.300 0.023 0.000 1.192 166 D CA -0.034 53.990 54.000 0.041 0.000 0.882 166 D CB 1.002 41.815 40.800 0.021 0.000 1.038 166 D HN 0.443 nan 8.370 nan 0.000 0.499 167 L N 2.694 123.922 121.223 0.009 0.000 2.217 167 L HA -0.024 4.303 4.340 -0.022 0.000 0.211 167 L C 2.156 178.975 176.870 -0.085 0.000 1.107 167 L CA 0.653 55.455 54.840 -0.064 0.000 0.783 167 L CB -0.172 41.810 42.059 -0.128 0.000 0.919 167 L HN 0.511 nan 8.230 nan 0.000 0.442 168 E N 0.660 120.836 120.200 -0.041 0.000 2.028 168 E HA -0.150 4.187 4.350 -0.022 0.000 0.190 168 E C 2.043 178.627 176.600 -0.027 0.000 0.984 168 E CA 1.131 57.510 56.400 -0.035 0.000 0.800 168 E CB -0.098 29.600 29.700 -0.004 0.000 0.758 168 E HN 0.381 nan 8.360 nan 0.000 0.448 169 G N -0.001 108.792 108.800 -0.011 0.000 2.985 169 G HA2 -0.076 3.871 3.960 -0.022 0.000 0.209 169 G HA3 -0.076 3.871 3.960 -0.022 0.000 0.209 169 G C -0.150 174.747 174.900 -0.006 0.000 1.165 169 G CA 0.001 45.097 45.100 -0.006 0.000 0.776 169 G HN 0.193 nan 8.290 nan 0.000 0.541 170 K N -0.925 119.467 120.400 -0.015 0.000 3.257 170 K HA -0.109 4.198 4.320 -0.022 0.000 0.270 170 K C -0.045 176.568 176.600 0.023 0.000 0.984 170 K CA 0.333 56.613 56.287 -0.011 0.000 0.739 170 K CB -1.721 30.763 32.500 -0.027 0.000 1.351 170 K HN 0.675 nan 8.250 nan 0.000 0.463 171 A N 0.653 123.501 122.820 0.046 0.000 2.604 171 A HA 0.637 4.944 4.320 -0.022 0.000 0.295 171 A C -1.185 176.477 177.584 0.130 0.000 1.067 171 A CA -0.904 51.184 52.037 0.086 0.000 0.683 171 A CB 0.866 19.901 19.000 0.057 0.000 1.281 171 A HN 0.266 nan 8.150 nan 0.000 0.407 172 F N 1.960 121.938 119.950 0.046 0.000 2.456 172 F HA 0.492 5.010 4.527 -0.016 0.000 0.358 172 F C 0.912 176.746 175.800 0.057 0.000 1.095 172 F CA -0.039 58.003 58.000 0.071 0.000 1.216 172 F CB 0.910 39.958 39.000 0.079 0.000 1.125 172 F HN 0.553 nan 8.300 nan 0.000 0.549 173 K N 5.232 125.150 120.400 -0.804 0.000 2.159 173 K HA 0.210 4.517 4.320 -0.022 0.000 0.210 173 K C -0.073 176.038 176.600 -0.815 0.000 1.026 173 K CA 0.685 56.617 56.287 -0.591 0.000 0.959 173 K CB -0.080 32.239 32.500 -0.301 0.000 0.890 173 K HN 0.820 nan 8.250 nan 0.000 0.459 174 R N -1.072 118.821 120.500 -1.013 0.000 2.741 174 R HA 0.391 4.718 4.340 -0.022 0.000 0.276 174 R C -1.022 175.100 176.300 -0.297 0.000 1.028 174 R CA -0.790 54.991 56.100 -0.532 0.000 0.865 174 R CB 0.431 30.599 30.300 -0.220 0.000 1.268 174 R HN -0.192 nan 8.270 nan 0.000 0.475 175 M N 1.638 121.230 119.600 -0.014 0.000 2.238 175 M HA 0.386 4.853 4.480 -0.022 0.000 0.350 175 M C -1.050 175.198 176.300 -0.088 0.000 1.138 175 M CA -1.087 54.203 55.300 -0.016 0.000 1.040 175 M CB 1.153 33.794 32.600 0.069 0.000 1.639 175 M HN 0.461 nan 8.290 nan 0.000 0.451 176 L N 3.354 124.491 121.223 -0.144 0.000 2.272 176 L HA 0.343 4.670 4.340 -0.022 0.000 0.289 176 L C 0.053 176.872 176.870 -0.085 0.000 1.032 176 L CA -0.100 54.675 54.840 -0.108 0.000 0.810 176 L CB 0.782 42.761 42.059 -0.133 0.000 1.205 176 L HN 0.504 nan 8.230 nan 0.000 0.422 177 D N 2.738 123.101 120.400 -0.061 0.000 2.348 177 D HA 0.397 5.024 4.640 -0.022 0.000 0.253 177 D C -0.155 176.117 176.300 -0.047 0.000 1.161 177 D CA 0.241 54.203 54.000 -0.062 0.000 0.876 177 D CB 1.770 42.541 40.800 -0.050 0.000 1.160 177 D HN 0.324 nan 8.370 nan 0.000 0.459 178 V N 0.763 120.647 119.914 -0.049 0.000 3.141 178 V HA 0.693 4.801 4.120 -0.022 0.000 0.312 178 V C -2.707 173.370 176.094 -0.029 0.000 1.157 178 V CA -2.051 60.234 62.300 -0.026 0.000 1.041 178 V CB 1.530 33.370 31.823 0.028 0.000 1.071 178 V HN 0.243 nan 8.190 nan 0.000 0.441 179 P HA 0.247 nan 4.420 nan 0.000 0.293 179 P C -0.791 176.498 177.300 -0.019 0.000 1.298 179 P CA -0.297 62.816 63.100 0.021 0.000 0.757 179 P CB 0.209 31.978 31.700 0.116 0.000 1.262 180 D N 0.292 120.691 120.400 -0.001 0.000 2.541 180 D HA 0.107 4.734 4.640 -0.022 0.000 0.231 180 D C -0.421 175.839 176.300 -0.066 0.000 1.163 180 D CA 0.505 54.481 54.000 -0.041 0.000 1.077 180 D CB -0.789 40.051 40.800 0.067 0.000 1.110 180 D HN 0.187 nan 8.370 nan 0.000 0.499 181 c N 1.361 119.800 118.600 -0.268 0.000 2.971 181 c HA 0.609 5.166 4.570 -0.022 0.000 0.310 181 c C -0.616 173.122 174.090 -0.586 0.000 1.285 181 c CA -0.956 55.269 56.329 -0.174 0.000 1.593 181 c CB 1.122 43.666 42.510 0.057 0.000 2.076 181 c HN 0.393 nan 8.230 nan 0.000 0.472 182 Y N -0.964 119.419 120.300 0.138 0.000 2.545 182 Y HA 0.659 5.195 4.550 -0.022 0.000 0.348 182 Y C -0.009 175.987 175.900 0.161 0.000 1.002 182 Y CA -0.334 57.713 58.100 -0.089 0.000 1.039 182 Y CB 0.651 39.119 38.460 0.013 0.000 1.271 182 Y HN 0.967 nan 8.280 nan 0.000 0.467 183 H N -0.201 118.827 119.070 -0.070 0.000 4.850 183 H HA -0.052 4.492 4.556 -0.021 0.000 0.264 183 H C -1.699 173.452 175.328 -0.294 0.000 0.536 183 H CA 0.180 56.145 56.048 -0.137 0.000 0.699 183 H CB -0.347 29.391 29.762 -0.041 0.000 0.876 183 H HN 0.638 nan 8.280 nan 0.000 0.309 184 I N 2.055 122.378 120.570 -0.412 0.000 2.500 184 I HA 0.284 4.441 4.170 -0.022 0.000 0.286 184 I C -0.857 174.972 176.117 -0.481 0.000 1.063 184 I CA -0.288 60.815 61.300 -0.328 0.000 1.062 184 I CB 0.996 38.838 38.000 -0.264 0.000 1.223 184 I HN 0.237 nan 8.210 nan 0.000 0.435 185 F N 6.765 126.794 119.950 0.131 0.000 2.443 185 F HA 0.454 4.969 4.527 -0.020 0.000 0.369 185 F C -2.454 173.422 175.800 0.127 0.000 1.090 185 F CA -2.704 55.159 58.000 -0.229 0.000 1.129 185 F CB 0.866 39.390 39.000 -0.793 0.000 1.367 185 F HN 0.157 nan 8.300 nan 0.000 0.465 186 P HA 0.165 nan 4.420 nan 0.000 0.271 186 P C 0.720 178.307 177.300 0.478 0.000 1.216 186 P CA 0.052 63.443 63.100 0.485 0.000 0.771 186 P CB 1.021 32.972 31.700 0.417 0.000 0.864 187 T N -0.609 114.200 114.554 0.425 0.000 2.975 187 T HA 0.630 4.968 4.350 -0.022 0.000 0.261 187 T C 0.325 175.168 174.700 0.239 0.000 0.984 187 T CA -0.014 62.290 62.100 0.340 0.000 0.911 187 T CB 0.213 69.300 68.868 0.364 0.000 1.127 187 T HN 0.478 nan 8.240 nan 0.000 0.514 188 A N 1.195 124.154 122.820 0.232 0.000 2.564 188 A HA 0.740 5.047 4.320 -0.022 0.000 0.291 188 A C -2.531 175.139 177.584 0.144 0.000 1.102 188 A CA -1.327 50.799 52.037 0.149 0.000 0.660 188 A CB 0.410 19.468 19.000 0.096 0.000 1.283 188 A HN -0.103 nan 8.150 nan 0.000 0.430 189 P HA -0.097 nan 4.420 nan 0.000 0.219 189 P C 0.070 177.339 177.300 -0.052 0.000 1.146 189 P CA 2.124 65.256 63.100 0.053 0.000 0.808 189 P CB 0.091 31.797 31.700 0.011 0.000 0.779 190 D N -3.993 116.299 120.400 -0.179 0.000 2.599 190 D HA 0.113 4.740 4.640 -0.022 0.000 0.249 190 D C -0.413 175.688 176.300 -0.332 0.000 1.313 190 D CA -0.239 53.372 54.000 -0.649 0.000 0.815 190 D CB -0.389 40.048 40.800 -0.604 0.000 1.077 190 D HN -0.125 nan 8.370 nan 0.000 0.492 191 T N 0.370 114.986 114.554 0.104 0.000 2.933 191 T HA 0.628 4.965 4.350 -0.022 0.000 0.305 191 T C -1.175 173.737 174.700 0.353 0.000 1.092 191 T CA -0.818 61.365 62.100 0.138 0.000 1.008 191 T CB 1.567 70.450 68.868 0.025 0.000 1.102 191 T HN 0.194 nan 8.240 nan 0.000 0.469 192 F N 0.378 120.413 119.950 0.142 0.000 2.668 192 F HA 0.874 5.388 4.527 -0.020 0.000 0.309 192 F C -2.313 173.513 175.800 0.042 0.000 1.117 192 F CA -1.813 56.306 58.000 0.199 0.000 0.951 192 F CB 0.820 39.938 39.000 0.197 0.000 1.323 192 F HN 0.403 nan 8.300 nan 0.000 0.451 193 F N 2.248 122.404 119.950 0.344 0.000 2.507 193 F HA 0.833 5.347 4.527 -0.022 0.000 0.327 193 F C 0.019 176.097 175.800 0.464 0.000 1.068 193 F CA -0.922 57.238 58.000 0.266 0.000 0.965 193 F CB 2.200 41.311 39.000 0.185 0.000 1.192 193 F HN 0.422 nan 8.300 nan 0.000 0.476 194 M N 1.262 121.195 119.600 0.556 0.000 2.631 194 M HA 0.323 4.790 4.480 -0.022 0.000 0.288 194 M C -1.202 175.467 176.300 0.615 0.000 1.260 194 M CA -0.781 54.843 55.300 0.540 0.000 0.842 194 M CB 2.823 35.635 32.600 0.353 0.000 1.743 194 M HN 0.576 nan 8.290 nan 0.000 0.461 195 H N 0.770 120.197 119.070 0.596 0.000 2.476 195 H HA 0.480 5.022 4.556 -0.022 0.000 0.328 195 H C -1.638 173.964 175.328 0.457 0.000 1.073 195 H CA -0.612 55.758 56.048 0.537 0.000 1.229 195 H CB 1.078 31.164 29.762 0.539 0.000 1.432 195 H HN 0.776 nan 8.280 nan 0.000 0.477 196 c N 4.722 123.265 118.600 -0.096 0.000 2.358 196 c HA 0.256 4.813 4.570 -0.022 0.000 0.354 196 c C 2.111 176.085 174.090 -0.195 0.000 1.183 196 c CA -0.802 55.509 56.329 -0.030 0.000 2.150 196 c CB 1.149 43.751 42.510 0.153 0.000 2.361 196 c HN 0.970 nan 8.230 nan 0.000 0.535 197 R N 1.007 121.544 120.500 0.062 0.000 2.127 197 R HA -0.162 4.165 4.340 -0.022 0.000 0.238 197 R C 1.263 177.539 176.300 -0.041 0.000 1.134 197 R CA 2.371 58.502 56.100 0.052 0.000 0.975 197 R CB -0.272 30.123 30.300 0.160 0.000 0.865 197 R HN 0.939 nan 8.270 nan 0.000 0.447 198 D N -1.712 118.654 120.400 -0.056 0.000 2.363 198 D HA 0.038 4.665 4.640 -0.022 0.000 0.226 198 D C 1.077 177.247 176.300 -0.216 0.000 1.020 198 D CA 0.880 54.815 54.000 -0.109 0.000 0.892 198 D CB 0.176 40.919 40.800 -0.095 0.000 0.900 198 D HN 0.383 nan 8.370 nan 0.000 0.531 199 G N -0.391 108.246 108.800 -0.271 0.000 2.175 199 G HA2 -0.265 3.682 3.960 -0.022 0.000 0.244 199 G HA3 -0.265 3.682 3.960 -0.022 0.000 0.244 199 G C 0.432 175.170 174.900 -0.270 0.000 0.982 199 G CA 0.415 45.181 45.100 -0.558 0.000 0.641 199 G HN 0.843 nan 8.290 nan 0.000 0.527 200 S N -0.718 115.003 115.700 0.035 0.000 2.738 200 S HA 0.877 5.334 4.470 -0.022 0.000 0.284 200 S C -0.304 174.605 174.600 0.515 0.000 1.146 200 S CA -0.807 57.582 58.200 0.314 0.000 0.997 200 S CB 2.328 65.705 63.200 0.295 0.000 1.081 200 S HN 0.762 nan 8.310 nan 0.000 0.553 201 L N 0.575 122.127 121.223 0.548 0.000 2.334 201 L HA 0.787 5.114 4.340 -0.022 0.000 0.273 201 L C -0.157 176.882 176.870 0.283 0.000 1.013 201 L CA -0.554 54.584 54.840 0.496 0.000 0.816 201 L CB 1.538 43.882 42.059 0.476 0.000 1.278 201 L HN 1.036 nan 8.230 nan 0.000 0.431 202 A N 3.542 126.449 122.820 0.145 0.000 2.318 202 A HA 0.609 4.916 4.320 -0.022 0.000 0.317 202 A C -0.701 176.729 177.584 -0.257 0.000 1.159 202 A CA -0.662 51.251 52.037 -0.207 0.000 0.799 202 A CB 0.691 19.493 19.000 -0.330 0.000 1.194 202 A HN 0.611 nan 8.150 nan 0.000 0.479 203 K N 2.638 122.761 120.400 -0.461 0.000 2.240 203 K HA 0.572 4.879 4.320 -0.022 0.000 0.271 203 K C -1.452 174.756 176.600 -0.654 0.000 1.018 203 K CA -0.304 55.442 56.287 -0.901 0.000 0.874 203 K CB 1.035 33.027 32.500 -0.847 0.000 1.098 203 K HN 0.416 nan 8.250 nan 0.000 0.458 204 V N 3.352 122.787 119.914 -0.799 0.000 2.409 204 V HA 0.525 4.633 4.120 -0.022 0.000 0.291 204 V C -0.464 175.334 176.094 -0.494 0.000 1.020 204 V CA -0.947 60.937 62.300 -0.693 0.000 0.848 204 V CB 1.227 32.410 31.823 -1.066 0.000 0.990 204 V HN 0.892 nan 8.190 nan 0.000 0.430 205 A N 6.050 128.729 122.820 -0.234 0.000 2.273 205 A HA 0.931 5.238 4.320 -0.022 0.000 0.315 205 A C -0.727 176.878 177.584 0.035 0.000 1.256 205 A CA -0.389 51.586 52.037 -0.104 0.000 0.851 205 A CB 0.506 19.427 19.000 -0.132 0.000 1.172 205 A HN 0.881 nan 8.150 nan 0.000 0.508 206 F N 1.285 121.183 119.950 -0.087 0.000 2.661 206 F HA 0.991 5.506 4.527 -0.021 0.000 0.347 206 F C 0.380 176.170 175.800 -0.017 0.000 1.086 206 F CA -0.877 57.099 58.000 -0.039 0.000 1.016 206 F CB 0.893 39.899 39.000 0.009 0.000 1.368 206 F HN 0.759 nan 8.300 nan 0.000 0.505 207 G N -0.840 107.995 108.800 0.059 0.000 2.911 207 G HA2 0.365 4.312 3.960 -0.022 0.000 0.299 207 G HA3 0.365 4.312 3.960 -0.022 0.000 0.299 207 G C -0.394 174.554 174.900 0.079 0.000 1.283 207 G CA 0.050 45.119 45.100 -0.052 0.000 0.805 207 G HN 0.894 nan 8.290 nan 0.000 0.548 208 T N -1.452 113.117 114.554 0.025 0.000 3.023 208 T HA 0.166 4.503 4.350 -0.022 0.000 0.266 208 T C 0.607 175.323 174.700 0.028 0.000 1.093 208 T CA 1.802 63.922 62.100 0.033 0.000 1.129 208 T CB -0.315 68.557 68.868 0.006 0.000 0.899 208 T HN 0.493 nan 8.240 nan 0.000 0.491 209 E N -1.507 118.707 120.200 0.024 0.000 2.433 209 E HA 0.506 4.843 4.350 -0.022 0.000 0.278 209 E C -0.609 176.002 176.600 0.018 0.000 0.976 209 E CA -0.285 56.125 56.400 0.016 0.000 0.793 209 E CB 1.704 31.407 29.700 0.005 0.000 1.311 209 E HN 0.382 nan 8.360 nan 0.000 0.460 210 G N 0.853 109.660 108.800 0.013 0.000 2.746 210 G HA2 -0.167 3.780 3.960 -0.022 0.000 0.685 210 G HA3 -0.167 3.780 3.960 -0.022 0.000 0.685 210 G C -0.551 174.358 174.900 0.016 0.000 1.350 210 G CA -0.377 44.730 45.100 0.010 0.000 0.837 210 G HN 0.497 nan 8.290 nan 0.000 0.564 211 T N 3.484 118.042 114.554 0.007 0.000 2.907 211 T HA 0.563 4.900 4.350 -0.022 0.000 0.298 211 T C -1.150 173.556 174.700 0.010 0.000 1.017 211 T CA 0.085 62.188 62.100 0.005 0.000 1.118 211 T CB 1.282 70.147 68.868 -0.004 0.000 0.948 211 T HN 0.740 nan 8.240 nan 0.000 0.531 212 P HA 0.312 nan 4.420 nan 0.000 0.274 212 P C -0.648 176.635 177.300 -0.029 0.000 1.231 212 P CA -0.487 62.622 63.100 0.015 0.000 0.790 212 P CB 0.776 32.489 31.700 0.021 0.000 0.951 213 E N 1.093 121.264 120.200 -0.048 0.000 2.152 213 E HA 0.335 4.672 4.350 -0.022 0.000 0.285 213 E C -0.507 176.019 176.600 -0.123 0.000 1.043 213 E CA -0.088 56.269 56.400 -0.072 0.000 0.839 213 E CB -0.048 29.607 29.700 -0.075 0.000 1.069 213 E HN 0.326 nan 8.360 nan 0.000 0.399 214 I N 3.705 124.210 120.570 -0.109 0.000 2.406 214 I HA 0.361 4.518 4.170 -0.022 0.000 0.290 214 I C -0.345 175.701 176.117 -0.118 0.000 0.999 214 I CA -0.713 60.492 61.300 -0.158 0.000 1.124 214 I CB 1.867 39.785 38.000 -0.137 0.000 1.289 214 I HN 0.452 nan 8.210 nan 0.000 0.441 215 T N 1.081 115.531 114.554 -0.173 0.000 2.916 215 T HA 0.482 4.819 4.350 -0.022 0.000 0.298 215 T C -0.686 173.948 174.700 -0.110 0.000 1.031 215 T CA -0.842 61.213 62.100 -0.074 0.000 0.993 215 T CB 1.637 70.475 68.868 -0.051 0.000 1.045 215 T HN 0.390 nan 8.240 nan 0.000 0.454 216 H N 1.657 120.740 119.070 0.022 0.000 2.479 216 H HA 0.531 5.074 4.556 -0.022 0.000 0.335 216 H C 0.858 176.254 175.328 0.114 0.000 1.142 216 H CA -0.371 55.720 56.048 0.071 0.000 1.234 216 H CB 2.073 31.870 29.762 0.058 0.000 1.503 216 H HN 0.955 nan 8.280 nan 0.000 0.510 217 T N -0.574 114.164 114.554 0.306 0.000 2.867 217 T HA 0.223 4.560 4.350 -0.022 0.000 0.286 217 T C 0.387 175.255 174.700 0.280 0.000 1.022 217 T CA -1.080 61.211 62.100 0.317 0.000 0.933 217 T CB 0.798 69.944 68.868 0.463 0.000 1.280 217 T HN 0.681 nan 8.240 nan 0.000 0.566 218 E N -0.076 120.276 120.200 0.252 0.000 2.392 218 E HA 0.449 4.786 4.350 -0.022 0.000 0.256 218 E C -0.689 175.950 176.600 0.065 0.000 1.145 218 E CA -1.088 55.376 56.400 0.107 0.000 0.929 218 E CB 0.347 30.075 29.700 0.047 0.000 0.998 218 E HN 0.364 nan 8.360 nan 0.000 0.442 219 V N 2.616 122.512 119.914 -0.030 0.000 2.521 219 V HA -0.045 4.062 4.120 -0.022 0.000 0.286 219 V C 0.254 176.232 176.094 -0.193 0.000 1.034 219 V CA 0.063 62.293 62.300 -0.118 0.000 1.045 219 V CB -0.381 31.321 31.823 -0.201 0.000 0.974 219 V HN 0.755 nan 8.190 nan 0.000 0.480 220 F N 3.642 123.331 119.950 -0.436 0.000 2.678 220 F HA 0.411 4.925 4.527 -0.022 0.000 0.305 220 F C 0.588 176.171 175.800 -0.361 0.000 1.090 220 F CA -0.431 57.235 58.000 -0.557 0.000 1.272 220 F CB -0.201 38.240 39.000 -0.933 0.000 1.060 220 F HN 0.652 nan 8.300 nan 0.000 0.576 221 H N -0.792 117.846 119.070 -0.720 0.000 3.046 221 H HA 0.475 5.018 4.556 -0.022 0.000 0.363 221 H C -3.496 171.584 175.328 -0.414 0.000 1.203 221 H CA -2.059 53.641 56.048 -0.580 0.000 1.169 221 H CB 1.434 30.692 29.762 -0.839 0.000 1.851 221 H HN -0.130 nan 8.280 nan 0.000 0.546 222 P HA 0.114 nan 4.420 nan 0.000 0.274 222 P C 0.567 177.717 177.300 -0.250 0.000 1.256 222 P CA -0.228 62.719 63.100 -0.255 0.000 0.795 222 P CB 1.864 33.462 31.700 -0.169 0.000 1.038 223 E N -0.063 120.001 120.200 -0.227 0.000 2.160 223 E HA -0.191 4.146 4.350 -0.022 0.000 0.195 223 E C 1.104 177.529 176.600 -0.292 0.000 0.991 223 E CA 1.447 57.737 56.400 -0.184 0.000 0.810 223 E CB -0.024 29.610 29.700 -0.109 0.000 0.742 223 E HN 0.539 nan 8.360 nan 0.000 0.466 224 D N -0.145 120.044 120.400 -0.352 0.000 2.339 224 D HA -0.057 4.570 4.640 -0.022 0.000 0.217 224 D C 0.095 175.863 176.300 -0.887 0.000 1.050 224 D CA 0.174 53.841 54.000 -0.555 0.000 0.856 224 D CB 0.057 40.705 40.800 -0.253 0.000 0.922 224 D HN 0.078 nan 8.370 nan 0.000 0.518 225 E N 0.252 120.026 120.200 -0.709 0.000 2.113 225 E HA 0.251 4.588 4.350 -0.022 0.000 0.273 225 E C -1.174 174.985 176.600 -0.735 0.000 0.924 225 E CA -0.680 55.370 56.400 -0.584 0.000 0.764 225 E CB 0.695 30.248 29.700 -0.246 0.000 1.104 225 E HN -0.124 nan 8.360 nan 0.000 0.406 226 F N 4.399 124.120 119.950 -0.380 0.000 2.391 226 F HA 0.274 4.788 4.527 -0.021 0.000 0.359 226 F C -0.196 175.303 175.800 -0.500 0.000 1.122 226 F CA -0.844 56.813 58.000 -0.572 0.000 1.120 226 F CB 0.448 38.795 39.000 -1.089 0.000 1.142 226 F HN 0.321 nan 8.300 nan 0.000 0.483 227 L N 5.134 126.156 121.223 -0.336 0.000 2.290 227 L HA 0.366 4.693 4.340 -0.022 0.000 0.284 227 L C 0.528 177.459 176.870 0.101 0.000 1.078 227 L CA -0.478 54.154 54.840 -0.346 0.000 0.815 227 L CB 0.348 41.676 42.059 -1.217 0.000 1.162 227 L HN 0.506 nan 8.230 nan 0.000 0.435 228 I N -0.077 120.720 120.570 0.379 0.000 3.246 228 I HA 0.094 4.251 4.170 -0.022 0.000 0.280 228 I C 0.914 177.252 176.117 0.368 0.000 1.239 228 I CA -0.085 61.464 61.300 0.414 0.000 1.336 228 I CB 0.444 38.660 38.000 0.359 0.000 1.383 228 I HN 0.520 nan 8.210 nan 0.000 0.617 229 N N 0.764 119.542 118.700 0.129 0.000 2.494 229 N HA -0.041 4.686 4.740 -0.022 0.000 0.182 229 N C -0.317 174.870 175.510 -0.537 0.000 1.076 229 N CA 0.814 53.700 53.050 -0.273 0.000 0.908 229 N CB -0.346 37.630 38.487 -0.852 0.000 0.967 229 N HN 0.642 nan 8.380 nan 0.000 0.449 230 H N -0.002 118.945 119.070 -0.205 0.000 2.317 230 H HA 0.288 4.831 4.556 -0.022 0.000 0.231 230 H C -2.188 173.043 175.328 -0.162 0.000 1.442 230 H CA -1.588 54.361 56.048 -0.165 0.000 1.336 230 H CB 0.739 30.388 29.762 -0.188 0.000 1.533 230 H HN 0.134 nan 8.280 nan 0.000 0.522 231 P HA 0.283 nan 4.420 nan 0.000 0.276 231 P C -0.375 176.826 177.300 -0.165 0.000 1.252 231 P CA -0.543 62.208 63.100 -0.583 0.000 0.802 231 P CB 1.519 32.200 31.700 -1.699 0.000 1.035 232 A N 1.888 124.642 122.820 -0.111 0.000 2.305 232 A HA 0.523 4.830 4.320 -0.022 0.000 0.322 232 A C -1.383 176.174 177.584 -0.045 0.000 1.187 232 A CA -0.384 51.706 52.037 0.089 0.000 0.825 232 A CB 0.259 19.355 19.000 0.159 0.000 1.164 232 A HN 0.585 nan 8.150 nan 0.000 0.498 233 Y N 2.049 122.259 120.300 -0.150 0.000 2.373 233 Y HA 0.548 5.084 4.550 -0.022 0.000 0.336 233 Y C -0.241 175.600 175.900 -0.098 0.000 0.979 233 Y CA -0.888 56.967 58.100 -0.408 0.000 1.080 233 Y CB 2.054 39.894 38.460 -1.033 0.000 1.190 233 Y HN 0.577 nan 8.280 nan 0.000 0.446 234 S N 5.672 121.061 115.700 -0.517 0.000 2.461 234 S HA 0.189 4.646 4.470 -0.022 0.000 0.322 234 S C 0.752 174.889 174.600 -0.771 0.000 1.063 234 S CA -0.444 57.537 58.200 -0.365 0.000 1.120 234 S CB 1.066 64.293 63.200 0.044 0.000 0.968 234 S HN 1.007 nan 8.310 nan 0.000 0.467 235 Q N 4.273 123.641 119.800 -0.719 0.000 2.119 235 Q HA -0.035 4.292 4.340 -0.022 0.000 0.201 235 Q C 1.572 177.450 176.000 -0.203 0.000 0.972 235 Q CA 1.423 56.910 55.803 -0.527 0.000 0.847 235 Q CB 0.011 28.666 28.738 -0.139 0.000 0.903 235 Q HN 0.720 nan 8.270 nan 0.000 0.433 236 K N -0.728 119.596 120.400 -0.126 0.000 2.211 236 K HA -0.070 4.238 4.320 -0.022 0.000 0.203 236 K C 1.515 178.085 176.600 -0.050 0.000 1.050 236 K CA 1.003 57.257 56.287 -0.056 0.000 0.945 236 K CB 0.129 32.607 32.500 -0.036 0.000 0.732 236 K HN 0.192 nan 8.250 nan 0.000 0.451 237 A N -0.014 122.765 122.820 -0.069 0.000 2.288 237 A HA 0.259 4.566 4.320 -0.022 0.000 0.216 237 A C 1.153 178.697 177.584 -0.067 0.000 1.199 237 A CA 0.525 52.545 52.037 -0.028 0.000 0.891 237 A CB 0.228 19.266 19.000 0.064 0.000 0.923 237 A HN 0.294 nan 8.150 nan 0.000 0.500 238 G N -0.201 108.521 108.800 -0.130 0.000 2.295 238 G HA2 -0.254 3.693 3.960 -0.022 0.000 0.287 238 G HA3 -0.254 3.693 3.960 -0.022 0.000 0.287 238 G C 0.072 174.908 174.900 -0.105 0.000 1.055 238 G CA 0.679 45.728 45.100 -0.084 0.000 0.922 238 G HN 0.706 nan 8.290 nan 0.000 0.503 239 R N -0.228 120.167 120.500 -0.175 0.000 2.393 239 R HA 0.705 5.032 4.340 -0.022 0.000 0.315 239 R C -0.414 175.746 176.300 -0.233 0.000 0.952 239 R CA -0.994 54.956 56.100 -0.250 0.000 0.842 239 R CB 0.790 30.851 30.300 -0.398 0.000 1.163 239 R HN 0.233 nan 8.270 nan 0.000 0.450 240 L N 5.529 126.601 121.223 -0.252 0.000 2.280 240 L HA 0.527 4.854 4.340 -0.022 0.000 0.287 240 L C -1.044 175.650 176.870 -0.294 0.000 1.023 240 L CA -1.000 53.643 54.840 -0.328 0.000 0.819 240 L CB 1.641 43.371 42.059 -0.549 0.000 1.212 240 L HN 0.449 nan 8.230 nan 0.000 0.420 241 V N 4.601 124.346 119.914 -0.281 0.000 2.313 241 V HA 0.284 4.391 4.120 -0.022 0.000 0.278 241 V C -0.748 175.310 176.094 -0.060 0.000 1.017 241 V CA -0.528 61.678 62.300 -0.156 0.000 0.823 241 V CB 1.428 33.150 31.823 -0.167 0.000 1.010 241 V HN 0.633 nan 8.190 nan 0.000 0.443 242 W N 8.245 129.503 121.300 -0.070 0.000 2.338 242 W HA 0.501 5.148 4.660 -0.022 0.000 0.315 242 W C -2.840 173.698 176.519 0.032 0.000 1.005 242 W CA -2.824 54.502 57.345 -0.032 0.000 1.380 242 W CB 2.131 31.558 29.460 -0.056 0.000 1.235 242 W HN 0.407 nan 8.180 nan 0.000 0.409 243 P HA 0.250 nan 4.420 nan 0.000 0.276 243 P C 0.099 177.556 177.300 0.261 0.000 1.244 243 P CA 0.313 63.560 63.100 0.246 0.000 0.801 243 P CB 1.297 33.112 31.700 0.192 0.000 1.006 244 T N -2.139 112.511 114.554 0.160 0.000 2.919 244 T HA 0.293 4.630 4.350 -0.022 0.000 0.282 244 T C 0.745 175.592 174.700 0.245 0.000 1.020 244 T CA -0.244 61.932 62.100 0.127 0.000 0.994 244 T CB 0.124 69.001 68.868 0.016 0.000 1.180 244 T HN 0.132 nan 8.240 nan 0.000 0.566 245 Y N 1.061 121.386 120.300 0.042 0.000 2.315 245 Y HA -0.040 4.497 4.550 -0.022 0.000 0.288 245 Y C 2.985 178.884 175.900 -0.001 0.000 1.154 245 Y CA 1.631 59.739 58.100 0.014 0.000 1.229 245 Y CB -1.228 37.212 38.460 -0.033 0.000 0.980 245 Y HN 0.910 nan 8.280 nan 0.000 0.540 246 T N -4.821 109.824 114.554 0.151 0.000 3.086 246 T HA 0.403 4.740 4.350 -0.022 0.000 0.250 246 T C 1.734 176.470 174.700 0.061 0.000 1.074 246 T CA 0.600 62.744 62.100 0.074 0.000 0.988 246 T CB 0.050 68.935 68.868 0.029 0.000 0.988 246 T HN 0.384 nan 8.240 nan 0.000 0.530 247 G N 1.482 110.327 108.800 0.075 0.000 2.176 247 G HA2 -0.239 3.708 3.960 -0.022 0.000 0.232 247 G HA3 -0.239 3.708 3.960 -0.022 0.000 0.232 247 G C -0.032 174.877 174.900 0.016 0.000 0.986 247 G CA 0.048 45.183 45.100 0.058 0.000 0.643 247 G HN 0.836 nan 8.290 nan 0.000 0.522 248 K N 0.750 121.143 120.400 -0.012 0.000 2.401 248 K HA 0.530 4.837 4.320 -0.022 0.000 0.278 248 K C -0.018 176.529 176.600 -0.089 0.000 1.018 248 K CA -0.276 55.962 56.287 -0.082 0.000 0.981 248 K CB 0.144 32.563 32.500 -0.134 0.000 0.933 248 K HN 0.256 nan 8.250 nan 0.000 0.477 249 I N 4.727 125.225 120.570 -0.120 0.000 2.389 249 I HA 0.174 4.331 4.170 -0.022 0.000 0.288 249 I C -0.268 175.777 176.117 -0.120 0.000 0.999 249 I CA -0.875 60.389 61.300 -0.060 0.000 1.129 249 I CB 1.350 39.347 38.000 -0.005 0.000 1.288 249 I HN 0.565 nan 8.210 nan 0.000 0.444 250 H N 6.354 125.480 119.070 0.094 0.000 2.519 250 H HA 0.394 4.937 4.556 -0.022 0.000 0.316 250 H C -0.730 174.648 175.328 0.083 0.000 1.065 250 H CA -0.328 55.793 56.048 0.122 0.000 1.264 250 H CB 1.562 31.459 29.762 0.224 0.000 1.413 250 H HN 0.509 nan 8.280 nan 0.000 0.465 251 Q N 3.041 122.920 119.800 0.132 0.000 2.316 251 Q HA 0.414 4.741 4.340 -0.022 0.000 0.264 251 Q C -0.693 175.276 176.000 -0.052 0.000 0.987 251 Q CA -0.969 54.831 55.803 -0.006 0.000 0.852 251 Q CB 2.305 31.006 28.738 -0.061 0.000 1.287 251 Q HN 0.434 nan 8.270 nan 0.000 0.448 252 I N 1.492 121.954 120.570 -0.181 0.000 2.433 252 I HA 0.170 4.327 4.170 -0.022 0.000 0.292 252 I C -0.607 175.305 176.117 -0.341 0.000 1.001 252 I CA -0.564 60.534 61.300 -0.337 0.000 1.119 252 I CB 1.786 39.485 38.000 -0.502 0.000 1.289 252 I HN 0.442 nan 8.210 nan 0.000 0.438 253 D N 6.054 126.250 120.400 -0.341 0.000 2.373 253 D HA 0.402 5.029 4.640 -0.022 0.000 0.227 253 D C 0.049 176.156 176.300 -0.321 0.000 1.091 253 D CA -0.105 53.735 54.000 -0.266 0.000 0.840 253 D CB 0.932 41.620 40.800 -0.186 0.000 1.060 253 D HN 0.483 nan 8.370 nan 0.000 0.502 254 L N 2.852 123.901 121.223 -0.291 0.000 2.808 254 L HA 0.097 4.424 4.340 -0.022 0.000 0.246 254 L C 2.023 178.807 176.870 -0.143 0.000 1.153 254 L CA -0.058 54.589 54.840 -0.321 0.000 0.956 254 L CB 0.039 41.832 42.059 -0.443 0.000 1.270 254 L HN 0.397 nan 8.230 nan 0.000 0.528 255 S N -0.634 115.003 115.700 -0.105 0.000 2.440 255 S HA -0.187 4.270 4.470 -0.022 0.000 0.238 255 S C 2.082 176.665 174.600 -0.029 0.000 1.010 255 S CA 1.327 59.497 58.200 -0.049 0.000 0.972 255 S CB -0.344 62.828 63.200 -0.045 0.000 0.774 255 S HN 0.543 nan 8.310 nan 0.000 0.501 256 S N 0.346 116.020 115.700 -0.043 0.000 2.496 256 S HA 0.440 4.897 4.470 -0.022 0.000 0.224 256 S C 1.673 176.278 174.600 0.009 0.000 0.996 256 S CA 0.733 58.921 58.200 -0.020 0.000 0.927 256 S CB -0.376 62.805 63.200 -0.031 0.000 0.774 256 S HN 1.427 nan 8.310 nan 0.000 0.524 257 G N 0.156 108.970 108.800 0.024 0.000 2.253 257 G HA2 -0.103 3.844 3.960 -0.022 0.000 0.209 257 G HA3 -0.103 3.844 3.960 -0.022 0.000 0.209 257 G C -0.464 174.540 174.900 0.174 0.000 0.997 257 G CA 0.078 45.237 45.100 0.099 0.000 0.640 257 G HN 0.538 nan 8.290 nan 0.000 0.496 258 D N 0.418 120.864 120.400 0.077 0.000 2.527 258 D HA 0.644 5.271 4.640 -0.022 0.000 0.233 258 D C 0.369 176.603 176.300 -0.110 0.000 1.063 258 D CA 0.379 54.439 54.000 0.099 0.000 0.880 258 D CB 1.740 42.571 40.800 0.052 0.000 1.457 258 D HN 0.573 nan 8.370 nan 0.000 0.475 259 A N 1.643 124.358 122.820 -0.176 0.000 2.454 259 A HA 0.240 4.547 4.320 -0.022 0.000 0.260 259 A C 0.210 177.459 177.584 -0.558 0.000 1.106 259 A CA 0.196 51.914 52.037 -0.531 0.000 0.780 259 A CB 0.140 18.767 19.000 -0.621 0.000 1.044 259 A HN 0.414 nan 8.150 nan 0.000 0.498 260 K N 3.531 123.570 120.400 -0.601 0.000 2.450 260 K HA 0.503 4.810 4.320 -0.022 0.000 0.257 260 K C -1.780 174.523 176.600 -0.496 0.000 0.953 260 K CA -0.448 55.593 56.287 -0.410 0.000 0.844 260 K CB 0.614 32.986 32.500 -0.213 0.000 1.103 260 K HN 0.460 nan 8.250 nan 0.000 0.429 261 F N 4.655 124.545 119.950 -0.100 0.000 2.424 261 F HA 0.243 4.757 4.527 -0.022 0.000 0.356 261 F C 0.174 175.947 175.800 -0.046 0.000 1.110 261 F CA -0.701 57.243 58.000 -0.094 0.000 1.161 261 F CB 0.491 39.453 39.000 -0.063 0.000 1.115 261 F HN 0.301 nan 8.300 nan 0.000 0.507 262 L N 4.974 126.255 121.223 0.098 0.000 2.439 262 L HA 0.470 4.797 4.340 -0.022 0.000 0.259 262 L C -1.928 174.994 176.870 0.087 0.000 1.129 262 L CA -2.190 52.684 54.840 0.057 0.000 0.803 262 L CB -0.298 41.762 42.059 0.002 0.000 1.161 262 L HN 0.371 nan 8.230 nan 0.000 0.462 263 P HA 0.204 nan 4.420 nan 0.000 0.268 263 P C -1.018 176.291 177.300 0.015 0.000 1.204 263 P CA -0.258 62.863 63.100 0.036 0.000 0.768 263 P CB 0.538 32.246 31.700 0.013 0.000 0.842 264 A N 3.069 125.885 122.820 -0.006 0.000 2.425 264 A HA 0.494 4.801 4.320 -0.022 0.000 0.249 264 A C 0.158 177.691 177.584 -0.086 0.000 1.084 264 A CA -0.179 51.801 52.037 -0.095 0.000 0.781 264 A CB 0.010 18.873 19.000 -0.229 0.000 1.019 264 A HN 0.478 nan 8.150 nan 0.000 0.490 265 V N -0.390 119.468 119.914 -0.094 0.000 2.914 265 V HA 0.665 4.772 4.120 -0.022 0.000 0.314 265 V C -0.525 175.521 176.094 -0.079 0.000 1.084 265 V CA -1.055 61.202 62.300 -0.071 0.000 0.963 265 V CB 1.946 33.739 31.823 -0.051 0.000 1.025 265 V HN 0.779 nan 8.190 nan 0.000 0.432 266 E N 2.194 122.353 120.200 -0.068 0.000 2.229 266 E HA 0.521 4.858 4.350 -0.022 0.000 0.283 266 E C 0.817 177.382 176.600 -0.057 0.000 1.030 266 E CA 0.224 56.586 56.400 -0.062 0.000 0.836 266 E CB 1.895 31.559 29.700 -0.059 0.000 1.068 266 E HN 0.941 nan 8.360 nan 0.000 0.401 267 A N 4.441 127.234 122.820 -0.044 0.000 2.072 267 A HA 0.068 4.375 4.320 -0.022 0.000 0.216 267 A C 0.898 178.443 177.584 -0.066 0.000 1.156 267 A CA 0.499 52.509 52.037 -0.045 0.000 0.701 267 A CB 0.177 19.170 19.000 -0.011 0.000 0.816 267 A HN 0.505 nan 8.150 nan 0.000 0.458 268 L N 0.929 122.116 121.223 -0.060 0.000 2.322 268 L HA 0.338 4.665 4.340 -0.022 0.000 0.279 268 L C 0.820 177.622 176.870 -0.113 0.000 1.036 268 L CA -0.755 54.028 54.840 -0.095 0.000 0.807 268 L CB 1.807 43.842 42.059 -0.041 0.000 1.226 268 L HN 0.318 nan 8.230 nan 0.000 0.433 269 T N -2.284 112.170 114.554 -0.167 0.000 2.802 269 T HA 0.071 4.408 4.350 -0.022 0.000 0.305 269 T C 1.017 175.650 174.700 -0.113 0.000 1.053 269 T CA -0.659 61.355 62.100 -0.144 0.000 1.058 269 T CB 1.001 69.762 68.868 -0.179 0.000 0.988 269 T HN 0.526 nan 8.240 nan 0.000 0.539 270 E N 0.915 121.062 120.200 -0.087 0.000 2.085 270 E HA -0.131 4.206 4.350 -0.022 0.000 0.194 270 E C 2.441 179.005 176.600 -0.059 0.000 0.994 270 E CA 1.637 58.000 56.400 -0.061 0.000 0.801 270 E CB -0.981 28.688 29.700 -0.051 0.000 0.743 270 E HN 0.840 nan 8.360 nan 0.000 0.453 271 A N 1.267 124.038 122.820 -0.082 0.000 1.930 271 A HA -0.185 4.122 4.320 -0.022 0.000 0.217 271 A C 2.049 179.587 177.584 -0.077 0.000 1.175 271 A CA 1.434 53.427 52.037 -0.073 0.000 0.627 271 A CB -0.376 18.570 19.000 -0.090 0.000 0.815 271 A HN 0.215 nan 8.150 nan 0.000 0.443 272 E N -0.343 119.750 120.200 -0.177 0.000 2.072 272 E HA -0.158 4.179 4.350 -0.022 0.000 0.191 272 E C 2.302 178.946 176.600 0.073 0.000 0.985 272 E CA 0.991 57.240 56.400 -0.253 0.000 0.801 272 E CB -0.189 29.134 29.700 -0.628 0.000 0.750 272 E HN 0.489 nan 8.360 nan 0.000 0.452 273 R N 0.485 120.998 120.500 0.022 0.000 2.096 273 R HA -0.073 4.254 4.340 -0.022 0.000 0.235 273 R C 2.329 178.669 176.300 0.067 0.000 1.127 273 R CA 1.089 57.227 56.100 0.063 0.000 0.968 273 R CB -0.294 30.016 30.300 0.016 0.000 0.861 273 R HN 0.113 nan 8.270 nan 0.000 0.440 274 A N 1.156 124.002 122.820 0.043 0.000 2.015 274 A HA -0.123 4.184 4.320 -0.022 0.000 0.219 274 A C 1.233 178.857 177.584 0.067 0.000 1.163 274 A CA 1.268 53.328 52.037 0.038 0.000 0.646 274 A CB -0.035 18.975 19.000 0.017 0.000 0.806 274 A HN 0.122 nan 8.150 nan 0.000 0.448 275 D N -1.018 119.458 120.400 0.126 0.000 2.325 275 D HA 0.273 4.900 4.640 -0.022 0.000 0.225 275 D C 1.193 177.580 176.300 0.145 0.000 1.096 275 D CA 0.969 55.066 54.000 0.163 0.000 0.844 275 D CB 0.085 41.041 40.800 0.260 0.000 0.925 275 D HN 0.559 nan 8.370 nan 0.000 0.513 276 G N 0.701 109.573 108.800 0.119 0.000 2.132 276 G HA2 -0.253 3.694 3.960 -0.022 0.000 0.234 276 G HA3 -0.253 3.694 3.960 -0.022 0.000 0.234 276 G C -0.216 174.686 174.900 0.003 0.000 0.989 276 G CA -0.464 44.654 45.100 0.030 0.000 0.676 276 G HN 0.146 nan 8.290 nan 0.000 0.522 277 W N 0.353 121.619 121.300 -0.058 0.000 2.238 277 W HA 0.779 5.426 4.660 -0.022 0.000 0.321 277 W C 1.019 177.512 176.519 -0.042 0.000 1.293 277 W CA -0.204 57.102 57.345 -0.064 0.000 1.204 277 W CB 0.612 30.017 29.460 -0.093 0.000 1.167 277 W HN 0.205 nan 8.180 nan 0.000 0.553 278 R N 3.077 123.674 120.500 0.161 0.000 2.680 278 R HA 0.335 4.662 4.340 -0.022 0.000 0.269 278 R C -2.595 173.773 176.300 0.113 0.000 1.026 278 R CA -1.937 54.226 56.100 0.106 0.000 0.889 278 R CB 2.261 32.578 30.300 0.029 0.000 1.241 278 R HN 0.126 nan 8.270 nan 0.000 0.463 279 P HA 0.263 nan 4.420 nan 0.000 0.274 279 P C -0.660 176.696 177.300 0.093 0.000 1.237 279 P CA -0.199 62.974 63.100 0.123 0.000 0.793 279 P CB 1.183 32.960 31.700 0.127 0.000 0.977 280 G N -1.114 107.749 108.800 0.105 0.000 2.733 280 G HA2 0.602 4.550 3.960 -0.022 0.000 0.297 280 G HA3 0.602 4.550 3.960 -0.022 0.000 0.297 280 G C -0.779 174.185 174.900 0.107 0.000 1.452 280 G CA -0.019 45.135 45.100 0.091 0.000 0.940 280 G HN 0.814 nan 8.290 nan 0.000 0.547 281 G N -0.192 108.677 108.800 0.115 0.000 2.260 281 G HA2 0.125 4.072 3.960 -0.022 0.000 0.250 281 G HA3 0.125 4.072 3.960 -0.022 0.000 0.250 281 G C 0.167 175.185 174.900 0.197 0.000 1.340 281 G CA 0.259 45.448 45.100 0.149 0.000 1.056 281 G HN 0.962 nan 8.290 nan 0.000 0.471 282 W N 0.188 121.436 121.300 -0.086 0.000 3.549 282 W HA 0.315 4.961 4.660 -0.022 0.000 0.260 282 W C 0.668 176.926 176.519 -0.436 0.000 1.572 282 W CA 0.515 57.692 57.345 -0.281 0.000 2.140 282 W CB 0.163 29.503 29.460 -0.201 0.000 1.431 282 W HN 0.470 nan 8.180 nan 0.000 0.525 283 Q N 2.394 122.127 119.800 -0.112 0.000 2.513 283 Q HA -0.015 4.312 4.340 -0.022 0.000 0.227 283 Q C 0.889 176.933 176.000 0.073 0.000 1.257 283 Q CA 0.206 55.985 55.803 -0.041 0.000 0.915 283 Q CB 0.721 29.545 28.738 0.144 0.000 1.507 283 Q HN 0.392 nan 8.270 nan 0.000 0.543 284 Q N 0.228 120.065 119.800 0.062 0.000 2.311 284 Q HA 0.035 4.362 4.340 -0.022 0.000 0.203 284 Q C 0.424 176.515 176.000 0.151 0.000 0.954 284 Q CA 0.456 56.330 55.803 0.117 0.000 0.885 284 Q CB 0.688 29.495 28.738 0.116 0.000 0.963 284 Q HN 0.319 nan 8.270 nan 0.000 0.471 285 V N -0.345 119.663 119.914 0.158 0.000 2.823 285 V HA 0.808 4.915 4.120 -0.022 0.000 0.312 285 V C -1.706 174.519 176.094 0.218 0.000 1.072 285 V CA -0.716 61.695 62.300 0.185 0.000 0.937 285 V CB 1.867 33.782 31.823 0.153 0.000 1.013 285 V HN 0.083 nan 8.190 nan 0.000 0.430 286 A N 4.881 127.869 122.820 0.280 0.000 2.498 286 A HA 0.858 5.165 4.320 -0.022 0.000 0.298 286 A C -2.059 175.791 177.584 0.443 0.000 1.075 286 A CA -0.530 51.687 52.037 0.299 0.000 0.714 286 A CB 1.784 20.901 19.000 0.194 0.000 1.299 286 A HN 1.313 nan 8.150 nan 0.000 0.407 287 Y N 0.773 121.212 120.300 0.232 0.000 2.373 287 Y HA 0.566 5.102 4.550 -0.022 0.000 0.336 287 Y C -0.824 175.208 175.900 0.220 0.000 0.979 287 Y CA -0.651 57.589 58.100 0.234 0.000 1.080 287 Y CB 1.544 40.074 38.460 0.116 0.000 1.190 287 Y HN 0.874 nan 8.280 nan 0.000 0.446 288 H N 5.879 124.716 119.070 -0.388 0.000 2.556 288 H HA 0.367 4.910 4.556 -0.021 0.000 0.310 288 H C 1.185 176.050 175.328 -0.772 0.000 1.057 288 H CA -0.124 55.707 56.048 -0.362 0.000 1.264 288 H CB 0.923 30.664 29.762 -0.035 0.000 1.404 288 H HN 0.871 nan 8.280 nan 0.000 0.462 289 R N 3.687 123.687 120.500 -0.832 0.000 2.070 289 R HA -0.144 4.183 4.340 -0.022 0.000 0.232 289 R C 1.862 178.017 176.300 -0.242 0.000 1.138 289 R CA 1.684 57.480 56.100 -0.506 0.000 0.936 289 R CB -0.409 29.745 30.300 -0.243 0.000 0.839 289 R HN 0.701 nan 8.270 nan 0.000 0.429 290 A N 0.852 123.543 122.820 -0.214 0.000 1.940 290 A HA -0.122 4.185 4.320 -0.022 0.000 0.219 290 A C 2.149 179.813 177.584 0.133 0.000 1.176 290 A CA 1.354 53.403 52.037 0.020 0.000 0.631 290 A CB -0.424 18.628 19.000 0.087 0.000 0.814 290 A HN 0.405 nan 8.150 nan 0.000 0.446 291 L N -1.604 119.818 121.223 0.332 0.000 2.509 291 L HA 0.042 4.369 4.340 -0.022 0.000 0.222 291 L C 0.547 177.458 176.870 0.069 0.000 1.123 291 L CA 0.547 55.476 54.840 0.147 0.000 0.856 291 L CB -0.223 41.859 42.059 0.038 0.000 0.985 291 L HN 0.473 nan 8.230 nan 0.000 0.456 292 D N 1.358 121.769 120.400 0.017 0.000 2.705 292 D HA -0.205 4.422 4.640 -0.022 0.000 0.240 292 D C 0.049 176.407 176.300 0.097 0.000 1.137 292 D CA 0.641 54.672 54.000 0.053 0.000 0.677 292 D CB -0.280 40.590 40.800 0.115 0.000 1.049 292 D HN 0.277 nan 8.370 nan 0.000 0.427 293 R N 0.210 120.726 120.500 0.027 0.000 2.750 293 R HA 0.755 5.083 4.340 -0.022 0.000 0.281 293 R C -0.131 176.230 176.300 0.102 0.000 0.972 293 R CA -1.025 55.079 56.100 0.007 0.000 0.912 293 R CB 1.531 31.753 30.300 -0.129 0.000 1.187 293 R HN 0.130 nan 8.270 nan 0.000 0.464 294 I N 2.191 122.754 120.570 -0.013 0.000 2.441 294 I HA 0.363 4.520 4.170 -0.022 0.000 0.295 294 I C -1.093 174.921 176.117 -0.173 0.000 0.994 294 I CA -0.857 60.507 61.300 0.107 0.000 1.144 294 I CB 1.309 39.379 38.000 0.118 0.000 1.314 294 I HN 0.411 nan 8.210 nan 0.000 0.445 295 Y N 6.018 126.388 120.300 0.116 0.000 2.364 295 Y HA 0.654 5.191 4.550 -0.021 0.000 0.340 295 Y C -0.600 175.358 175.900 0.097 0.000 0.975 295 Y CA -0.935 57.217 58.100 0.086 0.000 1.089 295 Y CB 1.752 40.278 38.460 0.110 0.000 1.192 295 Y HN 0.319 nan 8.280 nan 0.000 0.454 296 L N 3.824 125.158 121.223 0.185 0.000 2.410 296 L HA 0.566 4.893 4.340 -0.022 0.000 0.270 296 L C -1.469 175.503 176.870 0.170 0.000 0.983 296 L CA -0.647 54.291 54.840 0.163 0.000 0.822 296 L CB 1.687 43.813 42.059 0.112 0.000 1.285 296 L HN 0.648 nan 8.230 nan 0.000 0.409 297 L N 5.851 127.180 121.223 0.178 0.000 2.361 297 L HA 0.542 4.869 4.340 -0.022 0.000 0.278 297 L C -0.332 176.658 176.870 0.200 0.000 1.113 297 L CA -0.270 54.683 54.840 0.188 0.000 0.849 297 L CB 0.875 43.033 42.059 0.165 0.000 1.155 297 L HN 0.613 nan 8.230 nan 0.000 0.452 298 V N 0.277 120.351 119.914 0.266 0.000 3.160 298 V HA 0.796 4.903 4.120 -0.022 0.000 0.310 298 V C -1.059 175.255 176.094 0.367 0.000 1.181 298 V CA -0.673 61.809 62.300 0.304 0.000 1.047 298 V CB 2.463 34.492 31.823 0.343 0.000 1.068 298 V HN 0.698 nan 8.190 nan 0.000 0.441 299 D N -0.644 119.870 120.400 0.189 0.000 2.808 299 D HA 0.215 4.842 4.640 -0.022 0.000 0.294 299 D C -1.543 174.378 176.300 -0.632 0.000 1.278 299 D CA -0.470 53.376 54.000 -0.258 0.000 0.756 299 D CB 2.027 42.815 40.800 -0.020 0.000 1.271 299 D HN 0.797 nan 8.370 nan 0.000 0.425 300 Q N 0.972 120.182 119.800 -0.983 0.000 2.279 300 Q HA 0.551 4.878 4.340 -0.022 0.000 0.256 300 Q C -0.214 175.582 176.000 -0.341 0.000 0.937 300 Q CA -0.094 55.246 55.803 -0.772 0.000 0.933 300 Q CB 1.632 29.897 28.738 -0.788 0.000 1.189 300 Q HN 0.344 nan 8.270 nan 0.000 0.417 301 R N -0.054 120.321 120.500 -0.209 0.000 2.690 301 R HA 0.334 4.661 4.340 -0.022 0.000 0.269 301 R C -1.653 174.607 176.300 -0.067 0.000 1.037 301 R CA -1.003 55.033 56.100 -0.107 0.000 0.877 301 R CB 0.658 30.916 30.300 -0.068 0.000 1.255 301 R HN 0.456 nan 8.270 nan 0.000 0.467 302 D N 0.359 120.741 120.400 -0.030 0.000 2.362 302 D HA -0.021 4.606 4.640 -0.022 0.000 0.242 302 D C 0.894 177.170 176.300 -0.040 0.000 1.132 302 D CA -0.063 53.931 54.000 -0.010 0.000 0.907 302 D CB 1.169 41.996 40.800 0.046 0.000 1.195 302 D HN 0.648 nan 8.370 nan 0.000 0.429 303 E N 1.237 121.363 120.200 -0.124 0.000 2.267 303 E HA -0.197 4.140 4.350 -0.022 0.000 0.197 303 E C 0.546 176.890 176.600 -0.428 0.000 0.998 303 E CA 0.946 57.146 56.400 -0.333 0.000 0.830 303 E CB -0.237 29.149 29.700 -0.523 0.000 0.751 303 E HN 0.622 nan 8.360 nan 0.000 0.491 304 W N 0.608 121.977 121.300 0.115 0.000 3.015 304 W HA 0.297 4.943 4.660 -0.022 0.000 0.429 304 W C 0.377 176.983 176.519 0.145 0.000 0.976 304 W CA -0.967 56.492 57.345 0.189 0.000 2.086 304 W CB 0.846 30.388 29.460 0.136 0.000 1.125 304 W HN -0.183 nan 8.180 nan 0.000 0.721 305 R N 0.806 121.438 120.500 0.219 0.000 2.865 305 R HA 0.084 4.411 4.340 -0.022 0.000 0.370 305 R C 1.264 177.571 176.300 0.012 0.000 1.168 305 R CA -0.063 56.081 56.100 0.074 0.000 1.058 305 R CB -1.015 29.315 30.300 0.051 0.000 1.419 305 R HN 0.476 nan 8.270 nan 0.000 0.580 306 H N -0.781 118.256 119.070 -0.055 0.000 2.559 306 H HA 0.124 4.667 4.556 -0.022 0.000 0.273 306 H C 0.261 175.577 175.328 -0.019 0.000 1.000 306 H CA 0.425 56.394 56.048 -0.133 0.000 1.195 306 H CB 0.354 29.854 29.762 -0.436 0.000 1.368 306 H HN 0.069 nan 8.280 nan 0.000 0.592 307 K N 1.400 121.686 120.400 -0.189 0.000 2.358 307 K HA 0.082 4.389 4.320 -0.022 0.000 0.200 307 K C 0.409 177.039 176.600 0.050 0.000 1.030 307 K CA 0.241 56.525 56.287 -0.005 0.000 1.097 307 K CB 0.921 33.428 32.500 0.013 0.000 0.862 307 K HN 0.323 nan 8.250 nan 0.000 0.534 308 T N -0.962 113.603 114.554 0.019 0.000 2.882 308 T HA 0.497 4.834 4.350 -0.022 0.000 0.287 308 T C 0.567 175.300 174.700 0.056 0.000 1.014 308 T CA -0.933 61.186 62.100 0.032 0.000 1.049 308 T CB 1.528 70.406 68.868 0.017 0.000 1.001 308 T HN 0.094 nan 8.240 nan 0.000 0.525 309 A N 1.756 124.608 122.820 0.054 0.000 2.406 309 A HA 0.552 4.859 4.320 -0.022 0.000 0.243 309 A C 0.533 178.158 177.584 0.068 0.000 1.082 309 A CA -0.554 51.523 52.037 0.067 0.000 0.786 309 A CB -0.168 18.867 19.000 0.059 0.000 1.029 309 A HN 0.864 nan 8.150 nan 0.000 0.495 310 S N -0.858 114.895 115.700 0.088 0.000 2.599 310 S HA 0.556 5.013 4.470 -0.022 0.000 0.294 310 S C 0.472 175.129 174.600 0.094 0.000 1.094 310 S CA -0.708 57.561 58.200 0.116 0.000 0.931 310 S CB 1.798 65.094 63.200 0.160 0.000 1.093 310 S HN 0.634 nan 8.310 nan 0.000 0.488 311 R N -0.120 120.447 120.500 0.112 0.000 2.437 311 R HA 0.333 4.660 4.340 -0.022 0.000 0.257 311 R C -0.997 175.069 176.300 -0.389 0.000 0.927 311 R CA 0.290 56.302 56.100 -0.148 0.000 1.078 311 R CB 0.313 30.446 30.300 -0.277 0.000 1.161 311 R HN 0.402 nan 8.270 nan 0.000 0.529 312 F N -0.702 119.332 119.950 0.140 0.000 2.588 312 F HA 0.518 5.032 4.527 -0.022 0.000 0.314 312 F C -0.245 175.655 175.800 0.167 0.000 1.069 312 F CA -1.355 56.759 58.000 0.190 0.000 0.931 312 F CB 1.782 40.978 39.000 0.327 0.000 1.260 312 F HN -0.441 nan 8.300 nan 0.000 0.465 313 V N 2.575 122.685 119.914 0.327 0.000 2.577 313 V HA 0.593 4.700 4.120 -0.022 0.000 0.303 313 V C -0.936 175.190 176.094 0.054 0.000 1.042 313 V CA -0.913 61.519 62.300 0.220 0.000 0.872 313 V CB 2.029 34.016 31.823 0.273 0.000 0.998 313 V HN 0.654 nan 8.190 nan 0.000 0.423 314 V N 3.560 123.474 119.914 0.001 0.000 2.547 314 V HA 0.860 4.968 4.120 -0.022 0.000 0.299 314 V C -0.454 175.510 176.094 -0.217 0.000 1.040 314 V CA -0.650 61.556 62.300 -0.157 0.000 0.913 314 V CB 1.712 33.461 31.823 -0.124 0.000 0.992 314 V HN 0.486 nan 8.190 nan 0.000 0.449 315 V N 5.814 125.510 119.914 -0.364 0.000 2.495 315 V HA 0.696 4.803 4.120 -0.022 0.000 0.298 315 V C -0.145 175.756 176.094 -0.322 0.000 1.031 315 V CA -0.433 61.598 62.300 -0.448 0.000 0.871 315 V CB 1.230 32.714 31.823 -0.566 0.000 0.988 315 V HN 1.045 nan 8.190 nan 0.000 0.432 316 L N 0.421 121.478 121.223 -0.278 0.000 2.393 316 L HA 0.762 5.089 4.340 -0.022 0.000 0.260 316 L C -0.538 176.253 176.870 -0.132 0.000 1.002 316 L CA -0.752 53.984 54.840 -0.173 0.000 0.818 316 L CB 2.093 44.081 42.059 -0.120 0.000 1.369 316 L HN 0.480 nan 8.230 nan 0.000 0.412 317 D N 1.355 121.702 120.400 -0.088 0.000 2.371 317 D HA 0.239 4.866 4.640 -0.022 0.000 0.256 317 D C 0.890 177.184 176.300 -0.010 0.000 1.193 317 D CA 0.485 54.458 54.000 -0.044 0.000 0.881 317 D CB 2.214 42.992 40.800 -0.037 0.000 1.143 317 D HN 0.799 nan 8.370 nan 0.000 0.473 318 A N 5.007 127.852 122.820 0.041 0.000 2.015 318 A HA -0.148 4.159 4.320 -0.022 0.000 0.219 318 A C 2.036 179.640 177.584 0.033 0.000 1.163 318 A CA 1.077 53.153 52.037 0.065 0.000 0.646 318 A CB -0.161 18.950 19.000 0.185 0.000 0.806 318 A HN 0.667 nan 8.150 nan 0.000 0.448 319 K N -0.573 119.845 120.400 0.031 0.000 2.076 319 K HA -0.099 4.208 4.320 -0.022 0.000 0.204 319 K C 1.954 178.554 176.600 -0.000 0.000 1.051 319 K CA 1.766 58.062 56.287 0.016 0.000 0.949 319 K CB -0.058 32.453 32.500 0.018 0.000 0.726 319 K HN 0.610 nan 8.250 nan 0.000 0.443 320 T N -4.585 109.964 114.554 -0.007 0.000 3.000 320 T HA 0.224 4.561 4.350 -0.022 0.000 0.248 320 T C 1.269 175.953 174.700 -0.026 0.000 1.034 320 T CA 0.582 62.672 62.100 -0.017 0.000 1.060 320 T CB 0.717 69.573 68.868 -0.020 0.000 0.983 320 T HN 0.316 nan 8.240 nan 0.000 0.482 321 G N 1.562 110.344 108.800 -0.030 0.000 2.157 321 G HA2 -0.250 3.697 3.960 -0.022 0.000 0.248 321 G HA3 -0.250 3.697 3.960 -0.022 0.000 0.248 321 G C -0.178 174.689 174.900 -0.055 0.000 0.979 321 G CA 0.194 45.268 45.100 -0.042 0.000 0.650 321 G HN 0.898 nan 8.290 nan 0.000 0.529 322 E N 0.408 120.575 120.200 -0.054 0.000 2.376 322 E HA 0.369 4.706 4.350 -0.022 0.000 0.266 322 E C 0.791 177.340 176.600 -0.086 0.000 1.009 322 E CA -0.700 55.661 56.400 -0.064 0.000 0.902 322 E CB 0.342 30.009 29.700 -0.054 0.000 0.972 322 E HN 0.291 nan 8.360 nan 0.000 0.439 323 R N 4.545 124.987 120.500 -0.097 0.000 2.370 323 R HA 0.062 4.389 4.340 -0.022 0.000 0.309 323 R C 0.122 176.346 176.300 -0.126 0.000 1.059 323 R CA 0.445 56.469 56.100 -0.125 0.000 0.981 323 R CB 0.124 30.344 30.300 -0.132 0.000 0.972 323 R HN 0.731 nan 8.270 nan 0.000 0.437 324 L N 2.395 123.525 121.223 -0.155 0.000 2.357 324 L HA 0.453 4.780 4.340 -0.022 0.000 0.211 324 L C 0.448 177.220 176.870 -0.164 0.000 1.075 324 L CA 0.549 55.303 54.840 -0.143 0.000 0.830 324 L CB 0.056 42.025 42.059 -0.150 0.000 0.996 324 L HN 0.797 nan 8.230 nan 0.000 0.467 325 A N -0.041 122.626 122.820 -0.255 0.000 2.567 325 A HA 0.513 4.820 4.320 -0.022 0.000 0.291 325 A C -1.522 175.788 177.584 -0.456 0.000 1.048 325 A CA -0.592 51.249 52.037 -0.325 0.000 0.661 325 A CB 1.341 20.110 19.000 -0.386 0.000 1.288 325 A HN -0.065 nan 8.150 nan 0.000 0.424 326 K N 1.272 121.445 120.400 -0.377 0.000 2.578 326 K HA 0.629 4.936 4.320 -0.022 0.000 0.250 326 K C -1.928 174.643 176.600 -0.047 0.000 0.955 326 K CA -0.412 55.721 56.287 -0.257 0.000 0.825 326 K CB 0.719 33.139 32.500 -0.133 0.000 1.151 326 K HN 0.451 nan 8.250 nan 0.000 0.432 327 F N 1.840 121.865 119.950 0.124 0.000 2.422 327 F HA 0.348 4.862 4.527 -0.022 0.000 0.333 327 F C 0.571 176.430 175.800 0.097 0.000 1.095 327 F CA -0.899 57.160 58.000 0.097 0.000 1.038 327 F CB 1.361 40.390 39.000 0.047 0.000 1.156 327 F HN 0.384 nan 8.300 nan 0.000 0.483 328 E N 3.302 123.631 120.200 0.214 0.000 2.044 328 E HA 0.153 4.491 4.350 -0.022 0.000 0.282 328 E C 0.517 177.032 176.600 -0.142 0.000 1.031 328 E CA -0.298 56.025 56.400 -0.128 0.000 0.824 328 E CB 0.929 30.589 29.700 -0.066 0.000 1.076 328 E HN 0.523 nan 8.360 nan 0.000 0.395 329 M N 1.048 120.505 119.600 -0.238 0.000 2.319 329 M HA 0.014 4.481 4.480 -0.022 0.000 0.265 329 M C 1.530 177.718 176.300 -0.187 0.000 1.068 329 M CA 1.029 56.231 55.300 -0.162 0.000 1.118 329 M CB -0.860 31.640 32.600 -0.167 0.000 1.395 329 M HN 0.833 nan 8.290 nan 0.000 0.435 330 G N 0.452 109.052 108.800 -0.333 0.000 2.162 330 G HA2 -0.255 3.692 3.960 -0.022 0.000 0.260 330 G HA3 -0.255 3.692 3.960 -0.022 0.000 0.260 330 G C -0.031 174.404 174.900 -0.775 0.000 0.976 330 G CA 0.790 45.603 45.100 -0.479 0.000 0.655 330 G HN 0.572 nan 8.290 nan 0.000 0.533 331 H N -1.220 117.686 119.070 -0.273 0.000 2.990 331 H HA 0.527 5.070 4.556 -0.021 0.000 0.343 331 H C -0.928 174.303 175.328 -0.163 0.000 1.270 331 H CA -1.002 54.880 56.048 -0.278 0.000 1.118 331 H CB 0.931 30.331 29.762 -0.604 0.000 1.861 331 H HN 0.027 nan 8.280 nan 0.000 0.544 332 E N 2.057 122.296 120.200 0.064 0.000 2.003 332 E HA 0.121 4.458 4.350 -0.022 0.000 0.279 332 E C -0.278 176.371 176.600 0.081 0.000 1.132 332 E CA -0.085 56.346 56.400 0.052 0.000 0.888 332 E CB 0.352 30.085 29.700 0.056 0.000 1.056 332 E HN 0.260 nan 8.360 nan 0.000 0.399 333 I N 2.728 123.341 120.570 0.072 0.000 2.359 333 I HA 0.125 4.282 4.170 -0.022 0.000 0.294 333 I C 1.158 177.338 176.117 0.104 0.000 0.987 333 I CA -0.241 61.119 61.300 0.100 0.000 1.225 333 I CB 1.214 39.267 38.000 0.089 0.000 1.366 333 I HN 0.342 nan 8.210 nan 0.000 0.466 334 D N 2.962 123.428 120.400 0.110 0.000 2.394 334 D HA 0.076 4.703 4.640 -0.022 0.000 0.226 334 D C 0.067 176.464 176.300 0.161 0.000 0.990 334 D CA 0.793 54.866 54.000 0.122 0.000 0.902 334 D CB 0.976 41.825 40.800 0.083 0.000 1.038 334 D HN 0.408 nan 8.370 nan 0.000 0.499 335 S N 0.121 115.913 115.700 0.153 0.000 2.549 335 S HA 0.610 5.067 4.470 -0.022 0.000 0.280 335 S C -0.288 174.408 174.600 0.160 0.000 1.109 335 S CA -0.782 57.520 58.200 0.170 0.000 0.905 335 S CB 2.506 65.826 63.200 0.201 0.000 1.081 335 S HN 0.164 nan 8.310 nan 0.000 0.477 336 I N 0.020 120.689 120.570 0.164 0.000 2.934 336 I HA 0.814 4.971 4.170 -0.022 0.000 0.306 336 I C -0.843 175.377 176.117 0.172 0.000 1.110 336 I CA -0.649 60.749 61.300 0.163 0.000 1.019 336 I CB 2.313 40.401 38.000 0.146 0.000 1.227 336 I HN 0.500 nan 8.210 nan 0.000 0.434 337 N N 1.290 120.096 118.700 0.178 0.000 3.046 337 N HA 0.713 5.440 4.740 -0.022 0.000 0.243 337 N C -1.762 173.834 175.510 0.143 0.000 1.452 337 N CA -0.267 52.894 53.050 0.186 0.000 0.882 337 N CB 2.651 41.279 38.487 0.234 0.000 1.425 337 N HN 0.806 nan 8.380 nan 0.000 0.517 338 V N -1.354 118.623 119.914 0.104 0.000 3.078 338 V HA 0.790 4.897 4.120 -0.022 0.000 0.311 338 V C 0.209 176.376 176.094 0.121 0.000 1.138 338 V CA -0.844 61.438 62.300 -0.030 0.000 1.007 338 V CB 1.114 32.808 31.823 -0.216 0.000 1.045 338 V HN 0.762 nan 8.190 nan 0.000 0.432 339 S N 1.635 117.374 115.700 0.065 0.000 2.603 339 S HA 0.370 4.827 4.470 -0.022 0.000 0.268 339 S C 0.213 174.892 174.600 0.132 0.000 1.317 339 S CA -0.520 57.772 58.200 0.154 0.000 1.012 339 S CB 1.128 64.395 63.200 0.112 0.000 0.926 339 S HN 0.815 nan 8.310 nan 0.000 0.539 340 Q N 1.070 120.910 119.800 0.067 0.000 2.204 340 Q HA 0.166 4.493 4.340 -0.022 0.000 0.209 340 Q C -0.372 175.636 176.000 0.014 0.000 0.861 340 Q CA -0.100 55.654 55.803 -0.082 0.000 0.971 340 Q CB -0.191 28.465 28.738 -0.136 0.000 1.095 340 Q HN 0.859 nan 8.270 nan 0.000 0.486 341 D N -0.845 119.637 120.400 0.136 0.000 2.451 341 D HA 0.054 4.681 4.640 -0.022 0.000 0.259 341 D C 0.935 177.337 176.300 0.170 0.000 1.201 341 D CA -0.586 53.483 54.000 0.114 0.000 1.028 341 D CB 0.977 41.820 40.800 0.072 0.000 1.095 341 D HN -0.181 nan 8.370 nan 0.000 0.539 342 E N -0.302 119.956 120.200 0.096 0.000 2.055 342 E HA -0.220 4.117 4.350 -0.022 0.000 0.209 342 E C 0.128 176.741 176.600 0.022 0.000 1.036 342 E CA 1.464 57.905 56.400 0.068 0.000 0.849 342 E CB 0.015 29.737 29.700 0.036 0.000 0.767 342 E HN 0.340 nan 8.360 nan 0.000 0.461 343 K N 1.471 121.874 120.400 0.005 0.000 2.356 343 K HA 0.217 4.524 4.320 -0.022 0.000 0.243 343 K C -2.450 174.126 176.600 -0.041 0.000 1.072 343 K CA -1.574 54.695 56.287 -0.031 0.000 1.014 343 K CB 1.468 33.955 32.500 -0.021 0.000 1.523 343 K HN 0.116 nan 8.250 nan 0.000 0.455 344 P HA -0.009 nan 4.420 nan 0.000 0.269 344 P C -0.698 176.517 177.300 -0.142 0.000 1.215 344 P CA -0.454 62.597 63.100 -0.082 0.000 0.780 344 P CB 0.797 32.411 31.700 -0.143 0.000 0.898 345 L N 2.491 123.581 121.223 -0.222 0.000 2.322 345 L HA 0.398 4.725 4.340 -0.022 0.000 0.279 345 L C 0.232 176.787 176.870 -0.526 0.000 1.036 345 L CA -0.539 54.081 54.840 -0.368 0.000 0.807 345 L CB 0.919 42.681 42.059 -0.494 0.000 1.226 345 L HN 0.337 nan 8.230 nan 0.000 0.433 346 L N 3.879 124.861 121.223 -0.403 0.000 2.280 346 L HA 0.416 4.744 4.340 -0.022 0.000 0.287 346 L C -1.258 175.458 176.870 -0.258 0.000 1.023 346 L CA -0.625 54.023 54.840 -0.321 0.000 0.819 346 L CB 0.666 42.638 42.059 -0.146 0.000 1.212 346 L HN 0.465 nan 8.230 nan 0.000 0.420 347 Y N 3.590 123.901 120.300 0.018 0.000 2.327 347 Y HA 0.499 5.037 4.550 -0.021 0.000 0.336 347 Y C 0.518 176.462 175.900 0.073 0.000 1.035 347 Y CA -0.671 57.465 58.100 0.060 0.000 1.165 347 Y CB 1.567 40.051 38.460 0.041 0.000 1.181 347 Y HN 0.583 nan 8.280 nan 0.000 0.494 348 A N 4.744 127.733 122.820 0.281 0.000 2.340 348 A HA 0.599 4.906 4.320 -0.022 0.000 0.297 348 A C -1.607 176.129 177.584 0.255 0.000 1.195 348 A CA -0.638 51.531 52.037 0.221 0.000 0.769 348 A CB 0.432 19.522 19.000 0.150 0.000 1.163 348 A HN 0.665 nan 8.150 nan 0.000 0.472 349 L N 2.831 124.159 121.223 0.176 0.000 2.282 349 L HA 0.681 5.008 4.340 -0.022 0.000 0.288 349 L C 0.239 177.180 176.870 0.118 0.000 1.033 349 L CA 0.190 55.096 54.840 0.109 0.000 0.807 349 L CB 1.741 43.834 42.059 0.057 0.000 1.209 349 L HN 0.509 nan 8.230 nan 0.000 0.423 350 S N 2.592 118.359 115.700 0.110 0.000 2.448 350 S HA 0.320 4.777 4.470 -0.022 0.000 0.320 350 S C 0.947 175.557 174.600 0.017 0.000 1.071 350 S CA -0.311 57.956 58.200 0.111 0.000 1.113 350 S CB 0.827 64.166 63.200 0.231 0.000 0.972 350 S HN 0.854 nan 8.310 nan 0.000 0.465 351 T N 4.508 119.059 114.554 -0.005 0.000 2.777 351 T HA -0.020 4.317 4.350 -0.022 0.000 0.266 351 T C 2.018 176.708 174.700 -0.016 0.000 1.040 351 T CA 1.585 63.651 62.100 -0.056 0.000 1.141 351 T CB -0.646 68.169 68.868 -0.089 0.000 0.868 351 T HN 0.772 nan 8.240 nan 0.000 0.444 352 G N 1.561 110.373 108.800 0.020 0.000 2.418 352 G HA2 -0.178 3.769 3.960 -0.022 0.000 0.217 352 G HA3 -0.178 3.769 3.960 -0.022 0.000 0.217 352 G C 1.155 176.071 174.900 0.025 0.000 1.158 352 G CA 0.791 45.911 45.100 0.033 0.000 0.771 352 G HN 0.412 nan 8.290 nan 0.000 0.545 353 D N 0.325 120.742 120.400 0.029 0.000 2.349 353 D HA 0.079 4.706 4.640 -0.022 0.000 0.215 353 D C 0.723 176.982 176.300 -0.068 0.000 1.016 353 D CA 0.138 54.144 54.000 0.009 0.000 0.870 353 D CB 0.104 40.946 40.800 0.071 0.000 0.917 353 D HN 0.230 nan 8.370 nan 0.000 0.524 354 K N -0.051 120.298 120.400 -0.086 0.000 3.077 354 K HA -0.134 4.173 4.320 -0.022 0.000 0.264 354 K C -0.641 175.815 176.600 -0.241 0.000 1.008 354 K CA 0.630 56.821 56.287 -0.159 0.000 0.740 354 K CB -1.898 30.509 32.500 -0.156 0.000 1.273 354 K HN 0.060 nan 8.250 nan 0.000 0.477 355 T N 0.337 114.737 114.554 -0.257 0.000 2.893 355 T HA 0.537 4.874 4.350 -0.022 0.000 0.293 355 T C -1.142 173.262 174.700 -0.493 0.000 1.027 355 T CA -0.856 60.979 62.100 -0.443 0.000 0.988 355 T CB 1.679 70.168 68.868 -0.632 0.000 1.043 355 T HN 0.184 nan 8.240 nan 0.000 0.461 356 L N 3.781 124.713 121.223 -0.485 0.000 2.265 356 L HA 0.559 4.886 4.340 -0.022 0.000 0.289 356 L C -1.548 175.096 176.870 -0.378 0.000 1.033 356 L CA -0.449 54.209 54.840 -0.303 0.000 0.814 356 L CB 0.061 42.005 42.059 -0.191 0.000 1.203 356 L HN 0.595 nan 8.230 nan 0.000 0.423 357 Y N 5.464 125.777 120.300 0.021 0.000 2.323 357 Y HA 0.530 5.067 4.550 -0.021 0.000 0.331 357 Y C 0.091 176.106 175.900 0.192 0.000 1.092 357 Y CA -0.427 57.708 58.100 0.059 0.000 1.150 357 Y CB 1.191 39.735 38.460 0.140 0.000 1.200 357 Y HN 0.402 nan 8.280 nan 0.000 0.472 358 I N 4.495 125.188 120.570 0.206 0.000 2.355 358 I HA 0.298 4.456 4.170 -0.022 0.000 0.288 358 I C -0.282 175.845 176.117 0.017 0.000 0.999 358 I CA -0.425 60.971 61.300 0.160 0.000 1.163 358 I CB 0.690 38.752 38.000 0.103 0.000 1.316 358 I HN 0.642 nan 8.210 nan 0.000 0.454 359 H N 3.101 122.128 119.070 -0.072 0.000 2.710 359 H HA 0.252 4.795 4.556 -0.022 0.000 0.361 359 H C -1.140 174.081 175.328 -0.178 0.000 1.175 359 H CA -0.864 55.113 56.048 -0.119 0.000 1.206 359 H CB 2.564 32.245 29.762 -0.136 0.000 1.750 359 H HN 0.492 nan 8.280 nan 0.000 0.553 360 D N 0.235 120.599 120.400 -0.060 0.000 2.325 360 D HA 0.193 4.821 4.640 -0.022 0.000 0.251 360 D C 0.806 177.030 176.300 -0.126 0.000 1.196 360 D CA -0.208 53.730 54.000 -0.103 0.000 0.866 360 D CB 1.037 41.775 40.800 -0.103 0.000 1.101 360 D HN 0.592 nan 8.370 nan 0.000 0.476 361 A N 3.657 126.426 122.820 -0.086 0.000 2.125 361 A HA -0.132 4.175 4.320 -0.022 0.000 0.219 361 A C 1.836 179.531 177.584 0.186 0.000 1.156 361 A CA 1.176 53.229 52.037 0.026 0.000 0.671 361 A CB -0.292 18.677 19.000 -0.052 0.000 0.794 361 A HN 0.670 nan 8.150 nan 0.000 0.459 362 E N -0.371 119.868 120.200 0.066 0.000 2.079 362 E HA -0.049 4.288 4.350 -0.022 0.000 0.191 362 E C 2.330 179.015 176.600 0.142 0.000 0.961 362 E CA 1.287 57.764 56.400 0.129 0.000 0.823 362 E CB 0.043 29.769 29.700 0.043 0.000 0.789 362 E HN 0.654 nan 8.360 nan 0.000 0.459 363 S N -1.746 113.922 115.700 -0.053 0.000 2.503 363 S HA 0.224 4.681 4.470 -0.022 0.000 0.217 363 S C 1.714 176.027 174.600 -0.478 0.000 0.999 363 S CA 0.504 58.644 58.200 -0.100 0.000 0.914 363 S CB 0.670 63.826 63.200 -0.073 0.000 0.782 363 S HN 0.380 nan 8.310 nan 0.000 0.520 364 G N 1.380 109.613 108.800 -0.944 0.000 2.179 364 G HA2 -0.325 3.622 3.960 -0.022 0.000 0.260 364 G HA3 -0.325 3.622 3.960 -0.022 0.000 0.260 364 G C -0.133 174.539 174.900 -0.380 0.000 0.977 364 G CA 0.340 44.597 45.100 -1.406 0.000 0.641 364 G HN 0.812 nan 8.290 nan 0.000 0.533 365 E N 0.932 120.994 120.200 -0.230 0.000 2.384 365 E HA 0.327 4.664 4.350 -0.022 0.000 0.266 365 E C 0.286 176.792 176.600 -0.156 0.000 1.012 365 E CA -0.295 56.035 56.400 -0.117 0.000 0.901 365 E CB 0.300 29.935 29.700 -0.108 0.000 0.967 365 E HN 0.414 nan 8.360 nan 0.000 0.435 366 E N 3.986 124.019 120.200 -0.277 0.000 2.257 366 E HA 0.015 4.352 4.350 -0.022 0.000 0.278 366 E C 0.130 176.557 176.600 -0.289 0.000 1.049 366 E CA -0.436 55.591 56.400 -0.621 0.000 0.876 366 E CB 0.664 30.064 29.700 -0.500 0.000 1.035 366 E HN 0.530 nan 8.360 nan 0.000 0.419 367 L N 4.874 125.948 121.223 -0.247 0.000 2.269 367 L HA 0.179 4.506 4.340 -0.022 0.000 0.200 367 L C 0.926 177.741 176.870 -0.091 0.000 1.069 367 L CA 1.090 55.853 54.840 -0.128 0.000 0.804 367 L CB -0.407 41.594 42.059 -0.096 0.000 0.987 367 L HN 0.612 nan 8.230 nan 0.000 0.468 368 R N -1.752 118.697 120.500 -0.085 0.000 2.741 368 R HA 0.668 4.995 4.340 -0.022 0.000 0.274 368 R C -1.233 175.036 176.300 -0.051 0.000 1.029 368 R CA -0.437 55.630 56.100 -0.055 0.000 0.880 368 R CB 1.439 31.712 30.300 -0.045 0.000 1.264 368 R HN -0.066 nan 8.270 nan 0.000 0.465 369 S N -0.342 115.308 115.700 -0.083 0.000 2.579 369 S HA 0.670 5.127 4.470 -0.022 0.000 0.272 369 S C -1.160 173.319 174.600 -0.202 0.000 1.141 369 S CA -0.760 57.330 58.200 -0.184 0.000 0.843 369 S CB 2.212 65.251 63.200 -0.269 0.000 1.122 369 S HN 0.433 nan 8.310 nan 0.000 0.468 370 V N 3.370 123.120 119.914 -0.274 0.000 2.482 370 V HA 0.509 4.616 4.120 -0.022 0.000 0.295 370 V C -0.408 175.493 176.094 -0.321 0.000 1.026 370 V CA -0.747 61.406 62.300 -0.246 0.000 0.856 370 V CB 0.963 32.657 31.823 -0.215 0.000 1.001 370 V HN 1.044 nan 8.190 nan 0.000 0.424 371 N N 2.992 121.525 118.700 -0.277 0.000 2.566 371 N HA 0.309 5.037 4.740 -0.022 0.000 0.299 371 N C 0.056 175.395 175.510 -0.284 0.000 1.277 371 N CA -0.829 52.051 53.050 -0.283 0.000 0.965 371 N CB 0.150 38.510 38.487 -0.213 0.000 1.142 371 N HN 0.573 nan 8.380 nan 0.000 0.596 372 Q N -1.211 118.440 119.800 -0.248 0.000 2.451 372 Q HA -0.146 4.181 4.340 -0.022 0.000 0.305 372 Q C -0.815 174.949 176.000 -0.392 0.000 1.345 372 Q CA 0.348 56.006 55.803 -0.241 0.000 0.854 372 Q CB -1.924 26.717 28.738 -0.162 0.000 1.162 372 Q HN 0.468 nan 8.270 nan 0.000 0.440 373 L N 0.647 121.558 121.223 -0.521 0.000 2.598 373 L HA 0.399 4.727 4.340 -0.022 0.000 0.241 373 L C 1.268 177.811 176.870 -0.545 0.000 1.244 373 L CA 0.331 54.595 54.840 -0.960 0.000 1.198 373 L CB -0.391 41.136 42.059 -0.886 0.000 1.448 373 L HN 0.589 nan 8.230 nan 0.000 0.406 374 G N 0.253 108.904 108.800 -0.249 0.000 2.584 374 G HA2 -0.265 3.682 3.960 -0.022 0.000 0.229 374 G HA3 -0.265 3.682 3.960 -0.022 0.000 0.229 374 G C 0.402 175.079 174.900 -0.371 0.000 1.320 374 G CA -0.135 44.872 45.100 -0.155 0.000 0.891 374 G HN 0.499 nan 8.290 nan 0.000 0.573 375 H N 0.481 119.552 119.070 0.002 0.000 2.476 375 H HA 0.322 4.865 4.556 -0.022 0.000 0.292 375 H C 1.858 177.128 175.328 -0.097 0.000 1.019 375 H CA 1.350 57.392 56.048 -0.010 0.000 1.330 375 H CB 0.794 30.576 29.762 0.034 0.000 1.451 375 H HN 1.192 nan 8.280 nan 0.000 0.535 376 G N 2.734 111.427 108.800 -0.178 0.000 4.341 376 G HA2 0.155 4.102 3.960 -0.022 0.000 0.251 376 G HA3 0.155 4.102 3.960 -0.022 0.000 0.251 376 G C -2.958 171.730 174.900 -0.354 0.000 1.036 376 G CA -0.796 44.024 45.100 -0.467 0.000 0.708 376 G HN -0.058 nan 8.290 nan 0.000 0.510 377 P HA 0.051 nan 4.420 nan 0.000 0.265 377 P C -0.197 176.995 177.300 -0.180 0.000 1.193 377 P CA 0.570 63.578 63.100 -0.153 0.000 0.765 377 P CB 1.882 33.495 31.700 -0.144 0.000 0.823 378 Q N 0.929 120.635 119.800 -0.157 0.000 2.167 378 Q HA 0.170 4.497 4.340 -0.022 0.000 0.251 378 Q C -0.216 175.821 176.000 0.063 0.000 0.768 378 Q CA 0.110 55.804 55.803 -0.181 0.000 0.944 378 Q CB 1.050 29.456 28.738 -0.553 0.000 1.179 378 Q HN 0.260 nan 8.270 nan 0.000 0.478 379 V N 2.138 122.110 119.914 0.098 0.000 2.495 379 V HA 0.459 4.566 4.120 -0.022 0.000 0.298 379 V C -0.525 175.641 176.094 0.120 0.000 1.031 379 V CA -0.567 61.844 62.300 0.185 0.000 0.871 379 V CB 1.819 33.770 31.823 0.214 0.000 0.988 379 V HN 0.139 nan 8.190 nan 0.000 0.432 380 I N 3.617 124.262 120.570 0.126 0.000 2.404 380 I HA 0.588 4.745 4.170 -0.022 0.000 0.293 380 I C -0.090 176.081 176.117 0.089 0.000 0.992 380 I CA -0.134 61.213 61.300 0.079 0.000 1.149 380 I CB 2.060 40.106 38.000 0.077 0.000 1.315 380 I HN 0.526 nan 8.210 nan 0.000 0.446 381 T N 3.195 117.796 114.554 0.079 0.000 2.881 381 T HA 0.564 4.901 4.350 -0.022 0.000 0.290 381 T C -0.221 174.556 174.700 0.129 0.000 1.000 381 T CA -0.714 61.429 62.100 0.072 0.000 0.978 381 T CB 1.818 70.677 68.868 -0.015 0.000 0.997 381 T HN 0.755 nan 8.240 nan 0.000 0.443 382 T N -0.466 114.159 114.554 0.119 0.000 2.916 382 T HA 0.862 5.199 4.350 -0.022 0.000 0.292 382 T C -0.528 174.237 174.700 0.108 0.000 1.055 382 T CA -1.019 61.171 62.100 0.150 0.000 1.009 382 T CB 1.829 70.802 68.868 0.176 0.000 1.118 382 T HN 0.731 nan 8.240 nan 0.000 0.497 383 A N 1.055 123.940 122.820 0.109 0.000 2.312 383 A HA 0.615 4.922 4.320 -0.022 0.000 0.326 383 A C -0.267 177.345 177.584 0.046 0.000 1.172 383 A CA -0.655 51.416 52.037 0.057 0.000 0.821 383 A CB 0.760 19.790 19.000 0.049 0.000 1.166 383 A HN 0.865 nan 8.150 nan 0.000 0.493 384 D N 3.078 123.492 120.400 0.023 0.000 2.499 384 D HA 0.317 4.944 4.640 -0.022 0.000 0.225 384 D C 0.705 177.004 176.300 -0.000 0.000 1.124 384 D CA -0.132 53.868 54.000 0.000 0.000 0.938 384 D CB 0.305 41.096 40.800 -0.015 0.000 1.014 384 D HN 0.493 nan 8.370 nan 0.000 0.517 385 M N 1.049 120.654 119.600 0.008 0.000 2.558 385 M HA 0.158 4.625 4.480 -0.022 0.000 0.255 385 M C 1.419 177.723 176.300 0.006 0.000 1.113 385 M CA -0.078 55.228 55.300 0.010 0.000 1.097 385 M CB 0.282 32.893 32.600 0.020 0.000 1.426 385 M HN 0.203 nan 8.290 nan 0.000 0.488 386 G N 0.000 108.799 108.800 -0.002 0.000 5.446 386 G HA2 0.000 3.947 3.960 -0.022 0.000 0.244 386 G HA3 0.000 3.947 3.960 -0.022 0.000 0.244 386 G CA 0.000 45.098 45.100 -0.003 0.000 0.502 386 G HN 0.000 nan 8.290 nan 0.000 0.925