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 3dws_1_B DATA FIRST_RESID -2 DATA SEQUENCE HHHXSLAVEA VKDFLLKLQD DICEALEAED GQATFVEDKW TREGGGGGRT DATA SEQUENCE RVXVDGAVIE KGGVNFSHVY GKGLPXSSTE RHPDIAGCNF EAXGVSLVIH DATA SEQUENCE PKNPHVPTSH ANVRLFVAER EGKEPVWWFG GGFDLTPYYA VEEDCRDFHQ DATA SEQUENCE VAQDLCKPFG ADVYARFKGW CDEYFFIPYR NEARGIGGLF FDDLNEWPFE DATA SEQUENCE KCFEFVQAVG KGYXDAYIPI VNRRKNTPYT EQQVEFQEFR RGRYAEFNLV DATA SEQUENCE IDRGTKFGLQ SGGRTESILI SLPPRARWGY NWQPEPGTPE ARLTEYFLTK DATA SEQUENCE RQWV 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 -2 H HA 0.000 nan 4.556 nan 0.000 0.296 -2 H C 0.000 175.323 175.328 -0.009 0.000 0.993 -2 H CA 0.000 56.032 56.048 -0.026 0.000 1.023 -2 H CB 0.000 29.731 29.762 -0.052 0.000 1.292 -1 H N -0.250 118.520 119.070 -0.500 0.000 2.393 -1 H HA 0.096 4.653 4.556 0.001 0.000 0.301 -1 H C 0.749 175.939 175.328 -0.231 0.000 1.019 -1 H CA 1.327 57.182 56.048 -0.322 0.000 1.311 -1 H CB 0.090 29.654 29.762 -0.330 0.000 1.475 -1 H HN 0.758 nan 8.280 nan 0.000 0.572 3 L N 2.206 123.238 121.223 -0.317 0.000 2.131 3 L HA 0.270 4.611 4.340 0.001 0.000 0.210 3 L C 2.192 178.934 176.870 -0.213 0.000 1.092 3 L CA 2.059 56.734 54.840 -0.276 0.000 0.759 3 L CB -0.497 41.362 42.059 -0.334 0.000 0.903 3 L HN 0.462 nan 8.230 nan 0.000 0.435 4 A N -0.377 122.274 122.820 -0.282 0.000 1.874 4 A HA -0.044 4.276 4.320 0.001 0.000 0.214 4 A C 2.171 179.635 177.584 -0.201 0.000 1.189 4 A CA 1.253 53.124 52.037 -0.276 0.000 0.615 4 A CB -0.925 17.677 19.000 -0.664 0.000 0.830 4 A HN 0.257 nan 8.150 nan 0.000 0.443 5 V N 0.524 120.287 119.914 -0.252 0.000 2.363 5 V HA -0.334 3.786 4.120 0.001 0.000 0.254 5 V C 2.530 178.535 176.094 -0.147 0.000 1.074 5 V CA 2.529 64.731 62.300 -0.164 0.000 1.069 5 V CB -0.669 31.038 31.823 -0.194 0.000 0.659 5 V HN 0.714 nan 8.190 nan 0.000 0.455 6 E N -0.452 119.659 120.200 -0.147 0.000 2.112 6 E HA -0.134 4.217 4.350 0.001 0.000 0.190 6 E C 2.301 178.868 176.600 -0.056 0.000 0.979 6 E CA 0.996 57.329 56.400 -0.112 0.000 0.814 6 E CB -0.117 29.518 29.700 -0.109 0.000 0.762 6 E HN 0.588 nan 8.360 nan 0.000 0.460 7 A N 0.594 123.384 122.820 -0.050 0.000 1.972 7 A HA -0.136 4.184 4.320 0.001 0.000 0.219 7 A C 2.336 179.958 177.584 0.064 0.000 1.169 7 A CA 1.197 53.257 52.037 0.038 0.000 0.635 7 A CB -0.496 18.549 19.000 0.075 0.000 0.810 7 A HN 0.193 nan 8.150 nan 0.000 0.446 8 V N 0.027 119.848 119.914 -0.156 0.000 2.427 8 V HA -0.232 3.888 4.120 0.001 0.000 0.248 8 V C 2.485 178.703 176.094 0.206 0.000 1.051 8 V CA 2.246 64.499 62.300 -0.078 0.000 1.048 8 V CB -0.590 31.150 31.823 -0.139 0.000 0.666 8 V HN 0.666 nan 8.190 nan 0.000 0.456 9 K N 0.165 120.609 120.400 0.073 0.000 1.985 9 K HA -0.243 4.078 4.320 0.001 0.000 0.210 9 K C 1.907 178.563 176.600 0.093 0.000 1.047 9 K CA 2.153 58.492 56.287 0.086 0.000 0.932 9 K CB -0.287 32.174 32.500 -0.065 0.000 0.716 9 K HN 0.412 nan 8.250 nan 0.000 0.439 10 D N 0.230 120.673 120.400 0.071 0.000 2.123 10 D HA -0.194 4.446 4.640 0.001 0.000 0.196 10 D C 1.628 177.995 176.300 0.112 0.000 0.992 10 D CA 1.035 55.065 54.000 0.051 0.000 0.833 10 D CB -0.406 40.435 40.800 0.069 0.000 0.954 10 D HN 0.262 nan 8.370 nan 0.000 0.455 11 F N 1.292 121.325 119.950 0.139 0.000 2.095 11 F HA -0.170 4.358 4.527 0.002 0.000 0.298 11 F C 1.992 177.870 175.800 0.130 0.000 1.104 11 F CA 1.250 59.354 58.000 0.174 0.000 1.232 11 F CB -0.485 38.730 39.000 0.358 0.000 0.987 11 F HN -0.084 nan 8.300 nan 0.000 0.475 12 L N -0.193 120.932 121.223 -0.163 0.000 2.046 12 L HA -0.222 4.119 4.340 0.001 0.000 0.208 12 L C 2.590 179.316 176.870 -0.240 0.000 1.077 12 L CA 1.205 55.906 54.840 -0.231 0.000 0.747 12 L CB -0.785 41.428 42.059 0.257 0.000 0.896 12 L HN 0.233 nan 8.230 nan 0.000 0.432 13 L N -0.190 120.855 121.223 -0.298 0.000 2.046 13 L HA -0.258 4.082 4.340 0.001 0.000 0.208 13 L C 2.706 179.406 176.870 -0.284 0.000 1.077 13 L CA 1.470 56.042 54.840 -0.446 0.000 0.747 13 L CB -0.422 41.351 42.059 -0.476 0.000 0.896 13 L HN 0.250 nan 8.230 nan 0.000 0.432 14 K N 0.104 120.369 120.400 -0.225 0.000 2.103 14 K HA -0.201 4.120 4.320 0.001 0.000 0.204 14 K C 2.153 178.634 176.600 -0.198 0.000 1.052 14 K CA 0.961 57.149 56.287 -0.165 0.000 0.945 14 K CB -0.050 32.400 32.500 -0.084 0.000 0.722 14 K HN 0.049 nan 8.250 nan 0.000 0.443 15 L N 1.934 122.950 121.223 -0.346 0.000 2.043 15 L HA -0.246 4.095 4.340 0.001 0.000 0.212 15 L C 2.463 179.219 176.870 -0.190 0.000 1.075 15 L CA 1.856 56.495 54.840 -0.335 0.000 0.752 15 L CB -0.545 41.137 42.059 -0.629 0.000 0.891 15 L HN 0.347 nan 8.230 nan 0.000 0.432 16 Q N -1.083 118.604 119.800 -0.189 0.000 2.020 16 Q HA -0.205 4.135 4.340 0.001 0.000 0.198 16 Q C 1.765 177.666 176.000 -0.164 0.000 0.974 16 Q CA 1.789 57.502 55.803 -0.150 0.000 0.829 16 Q CB -0.077 28.589 28.738 -0.120 0.000 0.894 16 Q HN 0.521 nan 8.270 nan 0.000 0.433 17 D N 0.982 121.290 120.400 -0.152 0.000 2.116 17 D HA -0.178 4.463 4.640 0.001 0.000 0.193 17 D C 1.533 177.775 176.300 -0.097 0.000 0.998 17 D CA 1.493 55.419 54.000 -0.123 0.000 0.836 17 D CB -0.381 40.358 40.800 -0.102 0.000 0.951 17 D HN 0.338 nan 8.370 nan 0.000 0.449 18 D N 0.131 120.481 120.400 -0.083 0.000 2.097 18 D HA -0.076 4.565 4.640 0.001 0.000 0.195 18 D C 2.322 178.602 176.300 -0.033 0.000 0.989 18 D CA 0.399 54.371 54.000 -0.047 0.000 0.827 18 D CB -0.289 40.490 40.800 -0.035 0.000 0.966 18 D HN 0.265 nan 8.370 nan 0.000 0.456 19 I N 0.353 120.899 120.570 -0.040 0.000 2.226 19 I HA -0.274 3.896 4.170 0.001 0.000 0.245 19 I C 2.378 178.470 176.117 -0.041 0.000 1.100 19 I CA 0.620 61.925 61.300 0.007 0.000 1.374 19 I CB -0.147 37.874 38.000 0.036 0.000 1.057 19 I HN 0.087 nan 8.210 nan 0.000 0.413 20 C N 0.501 119.689 119.300 -0.186 0.000 2.432 20 C HA -0.186 4.275 4.460 0.001 0.000 0.277 20 C C 2.793 177.777 174.990 -0.009 0.000 1.249 20 C CA 1.202 60.031 59.018 -0.315 0.000 1.725 20 C CB -1.019 26.400 27.740 -0.535 0.000 2.028 20 C HN 0.552 nan 8.230 nan 0.000 0.477 21 E N 1.254 121.446 120.200 -0.012 0.000 2.033 21 E HA -0.268 4.083 4.350 0.001 0.000 0.199 21 E C 2.190 178.821 176.600 0.051 0.000 1.011 21 E CA 1.768 58.187 56.400 0.031 0.000 0.815 21 E CB -0.294 29.409 29.700 0.004 0.000 0.755 21 E HN 0.546 nan 8.360 nan 0.000 0.451 22 A N 1.097 123.938 122.820 0.035 0.000 1.892 22 A HA -0.200 4.121 4.320 0.001 0.000 0.218 22 A C 2.318 179.942 177.584 0.067 0.000 1.188 22 A CA 1.758 53.815 52.037 0.033 0.000 0.631 22 A CB -0.857 18.151 19.000 0.013 0.000 0.822 22 A HN 0.379 nan 8.150 nan 0.000 0.447 23 L N -1.067 120.235 121.223 0.132 0.000 2.093 23 L HA -0.186 4.155 4.340 0.001 0.000 0.208 23 L C 2.607 179.595 176.870 0.197 0.000 1.085 23 L CA 1.543 56.507 54.840 0.207 0.000 0.755 23 L CB -0.557 41.731 42.059 0.381 0.000 0.904 23 L HN 0.481 nan 8.230 nan 0.000 0.435 24 E N 0.122 120.456 120.200 0.224 0.000 2.106 24 E HA -0.203 4.147 4.350 0.001 0.000 0.192 24 E C 2.324 178.973 176.600 0.081 0.000 0.984 24 E CA 1.033 57.527 56.400 0.157 0.000 0.806 24 E CB -0.126 29.681 29.700 0.178 0.000 0.750 24 E HN 0.489 nan 8.360 nan 0.000 0.458 25 A N 1.486 124.345 122.820 0.065 0.000 1.940 25 A HA -0.221 4.100 4.320 0.001 0.000 0.219 25 A C 1.952 179.548 177.584 0.020 0.000 1.176 25 A CA 1.348 53.405 52.037 0.034 0.000 0.631 25 A CB -0.246 18.767 19.000 0.021 0.000 0.814 25 A HN 0.083 nan 8.150 nan 0.000 0.446 26 E N -0.491 119.722 120.200 0.021 0.000 2.216 26 E HA -0.113 4.237 4.350 0.001 0.000 0.192 26 E C 1.482 178.084 176.600 0.004 0.000 0.988 26 E CA 1.225 57.624 56.400 -0.001 0.000 0.834 26 E CB -0.257 29.430 29.700 -0.022 0.000 0.772 26 E HN 0.782 nan 8.360 nan 0.000 0.479 27 D N -0.965 119.445 120.400 0.018 0.000 2.110 27 D HA -0.057 4.584 4.640 0.001 0.000 0.202 27 D C 1.428 177.732 176.300 0.007 0.000 0.975 27 D CA 2.229 56.234 54.000 0.008 0.000 0.839 27 D CB 0.149 40.949 40.800 0.000 0.000 0.996 27 D HN 0.223 nan 8.370 nan 0.000 0.464 28 G N -0.175 108.632 108.800 0.012 0.000 2.320 28 G HA2 -0.438 3.523 3.960 0.001 0.000 0.242 28 G HA3 -0.438 3.523 3.960 0.001 0.000 0.242 28 G C 1.010 175.915 174.900 0.008 0.000 1.033 28 G CA 0.981 46.087 45.100 0.011 0.000 0.620 28 G HN 0.520 nan 8.290 nan 0.000 0.517 29 Q N 0.152 119.954 119.800 0.002 0.000 2.622 29 Q HA 0.707 5.048 4.340 0.001 0.000 0.208 29 Q C 1.570 177.565 176.000 -0.009 0.000 0.911 29 Q CA 1.067 56.868 55.803 -0.002 0.000 0.893 29 Q CB 0.276 29.012 28.738 -0.004 0.000 1.124 29 Q HN 1.149 nan 8.270 nan 0.000 0.634 30 A N 0.739 123.543 122.820 -0.026 0.000 2.279 30 A HA 0.603 4.924 4.320 0.001 0.000 0.303 30 A C -0.258 177.296 177.584 -0.050 0.000 1.108 30 A CA 0.147 52.156 52.037 -0.046 0.000 0.830 30 A CB 0.874 19.827 19.000 -0.079 0.000 1.106 30 A HN 0.498 nan 8.150 nan 0.000 0.493 31 T N -1.903 112.622 114.554 -0.048 0.000 2.896 31 T HA 0.645 4.996 4.350 0.001 0.000 0.297 31 T C -0.521 174.167 174.700 -0.020 0.000 1.108 31 T CA -0.555 61.548 62.100 0.004 0.000 1.004 31 T CB 0.624 69.530 68.868 0.063 0.000 1.159 31 T HN 0.286 nan 8.240 nan 0.000 0.499 32 F N 1.091 121.063 119.950 0.036 0.000 2.529 32 F HA 0.411 4.939 4.527 0.001 0.000 0.365 32 F C 0.609 176.433 175.800 0.040 0.000 1.102 32 F CA -0.128 57.897 58.000 0.042 0.000 1.271 32 F CB 0.663 39.691 39.000 0.047 0.000 1.120 32 F HN 0.298 nan 8.300 nan 0.000 0.579 33 V N 3.426 123.458 119.914 0.198 0.000 2.472 33 V HA 0.226 4.347 4.120 0.001 0.000 0.290 33 V C -0.107 176.090 176.094 0.171 0.000 1.037 33 V CA -0.902 61.483 62.300 0.141 0.000 0.908 33 V CB 1.560 33.435 31.823 0.087 0.000 0.985 33 V HN 0.690 nan 8.190 nan 0.000 0.454 34 E N 2.796 123.077 120.200 0.136 0.000 2.191 34 E HA 0.360 4.710 4.350 0.001 0.000 0.278 34 E C -1.417 175.260 176.600 0.128 0.000 0.972 34 E CA -0.562 55.917 56.400 0.132 0.000 0.804 34 E CB 1.352 31.109 29.700 0.094 0.000 1.110 34 E HN 0.710 nan 8.360 nan 0.000 0.394 35 D N 4.121 124.619 120.400 0.163 0.000 2.440 35 D HA 0.179 4.820 4.640 0.001 0.000 0.252 35 D C -1.135 175.315 176.300 0.251 0.000 1.180 35 D CA -0.495 53.615 54.000 0.183 0.000 0.894 35 D CB 0.569 41.479 40.800 0.182 0.000 1.111 35 D HN 0.220 nan 8.370 nan 0.000 0.544 36 K N 3.402 123.906 120.400 0.174 0.000 2.298 36 K HA 0.378 4.698 4.320 0.001 0.000 0.280 36 K C -0.190 176.538 176.600 0.213 0.000 1.032 36 K CA -0.561 55.797 56.287 0.119 0.000 0.958 36 K CB 1.445 33.971 32.500 0.043 0.000 0.978 36 K HN 0.493 nan 8.250 nan 0.000 0.472 37 W N 0.179 121.512 121.300 0.055 0.000 3.083 37 W HA 0.406 5.066 4.660 0.001 0.000 0.333 37 W C -1.425 175.110 176.519 0.026 0.000 1.217 37 W CA -0.910 56.457 57.345 0.036 0.000 1.170 37 W CB 0.750 30.230 29.460 0.033 0.000 1.437 37 W HN 0.261 nan 8.180 nan 0.000 0.557 38 T N 2.507 117.218 114.554 0.262 0.000 2.906 38 T HA 0.272 4.623 4.350 0.001 0.000 0.302 38 T C -0.220 174.594 174.700 0.189 0.000 1.002 38 T CA -0.650 61.495 62.100 0.075 0.000 0.988 38 T CB 1.506 70.391 68.868 0.028 0.000 0.972 38 T HN 0.429 nan 8.240 nan 0.000 0.447 39 R N 2.025 122.630 120.500 0.174 0.000 2.538 39 R HA 0.354 4.695 4.340 0.001 0.000 0.282 39 R C 0.532 176.861 176.300 0.049 0.000 1.009 39 R CA 0.220 56.428 56.100 0.181 0.000 1.063 39 R CB 0.211 30.582 30.300 0.119 0.000 0.945 39 R HN 0.790 nan 8.270 nan 0.000 0.414 40 E N 2.594 122.830 120.200 0.060 0.000 1.932 40 E HA 0.295 4.645 4.350 0.001 0.000 0.275 40 E C 0.856 177.463 176.600 0.011 0.000 1.159 40 E CA 0.078 56.495 56.400 0.028 0.000 0.905 40 E CB 0.577 nan 29.700 nan 0.000 1.059 40 E HN 0.888 nan 8.360 nan 0.000 0.400 41 G N 0.652 109.440 108.800 -0.020 0.000 3.110 41 G HA2 0.392 4.353 3.960 0.001 0.000 0.205 41 G HA3 0.392 4.353 3.960 0.001 0.000 0.205 41 G C 0.647 175.481 174.900 -0.111 0.000 1.019 41 G CA 0.464 45.546 45.100 -0.030 0.000 0.826 41 G HN 1.950 nan 8.290 nan 0.000 0.481 42 G N -0.742 107.911 108.800 -0.245 0.000 2.088 42 G HA2 0.642 4.603 3.960 0.001 0.000 0.222 42 G HA3 0.642 4.603 3.960 0.001 0.000 0.222 42 G C 0.843 175.082 174.900 -1.102 0.000 1.690 42 G CA 1.339 46.071 45.100 -0.613 0.000 0.923 42 G HN 2.339 nan 8.290 nan 0.000 0.730 43 G N 0.357 108.490 108.800 -1.113 0.000 2.542 43 G HA2 0.539 4.500 3.960 0.001 0.000 0.235 43 G HA3 0.539 4.500 3.960 0.001 0.000 0.235 43 G C 1.070 175.699 174.900 -0.450 0.000 1.286 43 G CA 1.196 45.789 45.100 -0.844 0.000 0.904 43 G HN 2.948 nan 8.290 nan 0.000 0.577 44 G N -2.712 105.773 108.800 -0.524 0.000 2.455 44 G HA2 0.806 4.767 3.960 0.001 0.000 0.223 44 G HA3 0.806 4.767 3.960 0.001 0.000 0.223 44 G C 0.293 174.392 174.900 -1.336 0.000 1.226 44 G CA 1.187 45.717 45.100 -0.950 0.000 0.948 44 G HN 2.892 nan 8.290 nan 0.000 0.478 45 G N -1.245 106.587 108.800 -1.614 0.000 2.349 45 G HA2 0.606 4.567 3.960 0.001 0.000 0.294 45 G HA3 0.606 4.567 3.960 0.001 0.000 0.294 45 G C -1.852 172.719 174.900 -0.548 0.000 1.380 45 G CA -0.743 43.816 45.100 -0.901 0.000 0.811 45 G HN 0.721 nan 8.290 nan 0.000 0.519 46 R N 0.349 120.878 120.500 0.048 0.000 2.388 46 R HA 0.547 4.888 4.340 0.001 0.000 0.314 46 R C -1.031 175.436 176.300 0.278 0.000 0.959 46 R CA -0.672 55.516 56.100 0.147 0.000 0.851 46 R CB 1.850 32.209 30.300 0.098 0.000 1.168 46 R HN 0.366 nan 8.270 nan 0.000 0.472 47 T N 3.996 118.765 114.554 0.358 0.000 2.733 47 T HA 0.276 4.627 4.350 0.001 0.000 0.294 47 T C 0.103 174.941 174.700 0.230 0.000 0.956 47 T CA -0.477 61.806 62.100 0.305 0.000 0.987 47 T CB 0.537 69.589 68.868 0.307 0.000 0.920 47 T HN 0.256 nan 8.240 nan 0.000 0.470 48 R N 2.534 123.158 120.500 0.208 0.000 2.295 48 R HA 0.640 4.980 4.340 0.001 0.000 0.324 48 R C -0.028 176.545 176.300 0.455 0.000 0.968 48 R CA -0.682 55.578 56.100 0.266 0.000 0.837 48 R CB 1.204 31.578 30.300 0.124 0.000 1.133 48 R HN 0.507 nan 8.270 nan 0.000 0.450 52 D N 2.838 123.211 120.400 -0.045 0.000 2.699 52 D HA -0.131 4.510 4.640 0.001 0.000 0.239 52 D C 0.428 176.708 176.300 -0.033 0.000 1.136 52 D CA 1.594 55.575 54.000 -0.032 0.000 0.668 52 D CB -0.927 39.859 40.800 -0.025 0.000 1.060 52 D HN 1.253 nan 8.370 nan 0.000 0.429 53 G N -0.774 108.001 108.800 -0.042 0.000 2.563 53 G HA2 0.496 4.457 3.960 0.001 0.000 0.283 53 G HA3 0.496 4.457 3.960 0.001 0.000 0.283 53 G C 1.239 176.130 174.900 -0.014 0.000 1.309 53 G CA 0.083 45.159 45.100 -0.039 0.000 1.022 53 G HN 0.249 nan 8.290 nan 0.000 0.501 54 A N -1.471 121.345 122.820 -0.007 0.000 1.929 54 A HA 0.159 4.479 4.320 0.001 0.000 0.216 54 A C 2.103 179.696 177.584 0.015 0.000 1.176 54 A CA 2.046 54.089 52.037 0.010 0.000 0.628 54 A CB -0.213 18.793 19.000 0.011 0.000 0.816 54 A HN 0.516 nan 8.150 nan 0.000 0.444 55 V N -1.189 118.726 119.914 0.002 0.000 3.219 55 V HA 0.276 4.397 4.120 0.001 0.000 0.240 55 V C 0.556 176.650 176.094 -0.001 0.000 1.222 55 V CA 0.274 62.575 62.300 0.001 0.000 1.181 55 V CB 0.114 31.936 31.823 -0.002 0.000 0.941 55 V HN 0.364 nan 8.190 nan 0.000 0.471 56 I N 1.416 121.983 120.570 -0.006 0.000 2.337 56 I HA 0.230 4.401 4.170 0.001 0.000 0.285 56 I C 1.352 177.456 176.117 -0.022 0.000 1.041 56 I CA 0.130 61.431 61.300 0.001 0.000 1.199 56 I CB 1.518 39.515 38.000 -0.005 0.000 1.370 56 I HN 0.235 nan 8.210 nan 0.000 0.470 57 E N 5.900 126.096 120.200 -0.007 0.000 2.072 57 E HA -0.082 4.269 4.350 0.001 0.000 0.191 57 E C 0.611 177.202 176.600 -0.014 0.000 0.985 57 E CA 1.074 57.462 56.400 -0.021 0.000 0.801 57 E CB 0.507 30.185 29.700 -0.038 0.000 0.750 57 E HN 0.450 nan 8.360 nan 0.000 0.452 58 K N -0.476 119.940 120.400 0.028 0.000 2.581 58 K HA 0.432 4.752 4.320 0.001 0.000 0.249 58 K C -1.473 175.177 176.600 0.083 0.000 0.966 58 K CA -0.355 55.963 56.287 0.051 0.000 0.811 58 K CB 1.883 34.436 32.500 0.089 0.000 1.223 58 K HN 0.127 nan 8.250 nan 0.000 0.438 59 G N 1.159 109.984 108.800 0.041 0.000 2.591 59 G HA2 0.689 4.649 3.960 0.001 0.000 0.306 59 G HA3 0.689 4.649 3.960 0.001 0.000 0.306 59 G C -1.127 173.900 174.900 0.212 0.000 1.334 59 G CA -0.971 44.194 45.100 0.108 0.000 0.981 59 G HN 0.577 nan 8.290 nan 0.000 0.491 60 G N -0.431 108.531 108.800 0.270 0.000 2.723 60 G HA2 0.543 4.504 3.960 0.001 0.000 0.295 60 G HA3 0.543 4.504 3.960 0.001 0.000 0.295 60 G C -1.322 173.717 174.900 0.233 0.000 1.464 60 G CA -0.417 44.847 45.100 0.274 0.000 1.012 60 G HN 0.901 nan 8.290 nan 0.000 0.522 61 V N 3.506 123.543 119.914 0.205 0.000 2.357 61 V HA 0.355 4.476 4.120 0.001 0.000 0.281 61 V C -0.858 175.274 176.094 0.064 0.000 1.015 61 V CA -1.237 61.086 62.300 0.038 0.000 0.827 61 V CB 0.976 32.691 31.823 -0.179 0.000 1.018 61 V HN 0.652 nan 8.190 nan 0.000 0.432 62 N N 3.268 122.035 118.700 0.113 0.000 2.466 62 N HA 0.644 5.385 4.740 0.001 0.000 0.294 62 N C -0.968 174.666 175.510 0.206 0.000 1.129 62 N CA -0.406 52.751 53.050 0.178 0.000 0.931 62 N CB 2.134 40.738 38.487 0.196 0.000 1.193 62 N HN 0.602 nan 8.380 nan 0.000 0.500 63 F N -0.003 119.997 119.950 0.083 0.000 2.540 63 F HA 0.591 5.119 4.527 0.001 0.000 0.317 63 F C -0.730 175.117 175.800 0.079 0.000 1.104 63 F CA -0.372 57.658 58.000 0.049 0.000 0.913 63 F CB 1.361 40.352 39.000 -0.015 0.000 1.170 63 F HN 0.244 nan 8.300 nan 0.000 0.450 64 S N 4.572 119.799 115.700 -0.789 0.000 2.536 64 S HA 0.358 4.829 4.470 0.001 0.000 0.287 64 S C -1.682 172.408 174.600 -0.850 0.000 1.101 64 S CA -0.543 57.304 58.200 -0.588 0.000 0.950 64 S CB 1.239 64.398 63.200 -0.069 0.000 1.056 64 S HN 0.796 nan 8.310 nan 0.000 0.481 65 H N 1.911 120.626 119.070 -0.592 0.000 3.036 65 H HA 0.541 5.098 4.556 0.001 0.000 0.295 65 H C -1.063 174.169 175.328 -0.160 0.000 1.124 65 H CA -0.644 55.242 56.048 -0.271 0.000 1.507 65 H CB 0.539 30.271 29.762 -0.051 0.000 1.591 65 H HN 0.515 nan 8.280 nan 0.000 0.510 66 V N 3.175 122.978 119.914 -0.185 0.000 2.630 66 V HA 0.665 4.786 4.120 0.001 0.000 0.305 66 V C -1.211 174.666 176.094 -0.361 0.000 1.046 66 V CA -0.692 61.435 62.300 -0.289 0.000 0.934 66 V CB 1.156 33.005 31.823 0.043 0.000 1.003 66 V HN 0.624 nan 8.190 nan 0.000 0.451 67 Y N 0.748 120.731 120.300 -0.529 0.000 2.521 67 Y HA 0.964 5.515 4.550 0.001 0.000 0.332 67 Y C -0.280 175.064 175.900 -0.927 0.000 1.121 67 Y CA -0.502 57.046 58.100 -0.920 0.000 1.037 67 Y CB 1.246 39.322 38.460 -0.640 0.000 1.330 67 Y HN 1.185 nan 8.280 nan 0.000 0.452 68 G N 1.540 109.614 108.800 -1.210 0.000 2.645 68 G HA2 0.536 4.497 3.960 0.001 0.000 0.292 68 G HA3 0.536 4.497 3.960 0.001 0.000 0.292 68 G C -2.056 172.786 174.900 -0.096 0.000 1.415 68 G CA -1.612 43.230 45.100 -0.429 0.000 0.785 68 G HN 0.531 nan 8.290 nan 0.000 0.483 69 K N 0.663 121.112 120.400 0.082 0.000 2.263 69 K HA 0.538 4.859 4.320 0.001 0.000 0.282 69 K C 0.403 177.126 176.600 0.204 0.000 1.089 69 K CA 0.471 56.829 56.287 0.119 0.000 0.907 69 K CB 1.074 33.616 32.500 0.070 0.000 1.148 69 K HN 1.473 nan 8.250 nan 0.000 0.470 70 G N 2.539 111.490 108.800 0.252 0.000 2.764 70 G HA2 -0.250 3.711 3.960 0.001 0.000 0.686 70 G HA3 -0.250 3.711 3.960 0.001 0.000 0.686 70 G C -0.390 174.647 174.900 0.228 0.000 1.258 70 G CA -0.987 44.240 45.100 0.211 0.000 0.846 70 G HN 0.472 nan 8.290 nan 0.000 0.596 71 L N 3.536 124.795 121.223 0.059 0.000 2.476 71 L HA 0.379 4.720 4.340 0.001 0.000 0.255 71 L C -0.496 176.310 176.870 -0.108 0.000 1.218 71 L CA -1.435 53.285 54.840 -0.200 0.000 0.819 71 L CB 0.258 42.211 42.059 -0.176 0.000 1.119 71 L HN 0.608 nan 8.230 nan 0.000 0.485 75 S N 1.440 117.028 115.700 -0.186 0.000 2.523 75 S HA 0.218 4.689 4.470 0.001 0.000 0.217 75 S C 0.469 174.992 174.600 -0.129 0.000 0.996 75 S CA 0.056 58.127 58.200 -0.215 0.000 0.921 75 S CB 0.357 63.444 63.200 -0.187 0.000 0.829 75 S HN 0.619 nan 8.310 nan 0.000 0.495 76 T N 3.483 117.982 114.554 -0.091 0.000 3.945 76 T HA 0.195 4.546 4.350 0.001 0.000 0.306 76 T C 0.896 175.548 174.700 -0.081 0.000 1.475 76 T CA -0.068 61.996 62.100 -0.060 0.000 1.177 76 T CB -0.401 68.449 68.868 -0.030 0.000 1.272 76 T HN 0.698 nan 8.240 nan 0.000 0.930 77 E N 0.509 120.631 120.200 -0.130 0.000 2.349 77 E HA 0.101 4.452 4.350 0.001 0.000 0.230 77 E C 1.585 178.069 176.600 -0.194 0.000 1.073 77 E CA -0.545 55.778 56.400 -0.129 0.000 1.635 77 E CB 0.019 29.659 29.700 -0.101 0.000 3.361 77 E HN 0.191 nan 8.360 nan 0.000 1.066 78 R N 0.034 120.317 120.500 -0.361 0.000 2.254 78 R HA 0.146 4.487 4.340 0.001 0.000 0.193 78 R C -0.054 175.815 176.300 -0.719 0.000 0.929 78 R CA 0.459 56.219 56.100 -0.567 0.000 1.038 78 R CB 0.564 30.402 30.300 -0.769 0.000 1.009 78 R HN 0.218 nan 8.270 nan 0.000 0.512 79 H N -0.128 118.879 119.070 -0.105 0.000 2.429 79 H HA 0.213 4.770 4.556 0.001 0.000 0.231 79 H C -2.194 173.117 175.328 -0.029 0.000 1.416 79 H CA -1.897 54.120 56.048 -0.051 0.000 1.443 79 H CB 1.561 31.309 29.762 -0.022 0.000 1.591 79 H HN 0.148 nan 8.280 nan 0.000 0.507 80 P HA -0.095 nan 4.420 nan 0.000 0.219 80 P C 1.128 178.460 177.300 0.052 0.000 1.154 80 P CA 0.880 63.995 63.100 0.026 0.000 0.826 80 P CB 0.468 32.167 31.700 -0.002 0.000 0.795 81 D N 1.233 121.672 120.400 0.064 0.000 2.351 81 D HA -0.128 4.513 4.640 0.001 0.000 0.216 81 D C 1.137 177.490 176.300 0.088 0.000 0.968 81 D CA 0.841 54.881 54.000 0.067 0.000 0.899 81 D CB -0.745 40.092 40.800 0.062 0.000 0.907 81 D HN 0.325 nan 8.370 nan 0.000 0.514 82 I N -4.350 116.292 120.570 0.119 0.000 3.326 82 I HA 0.584 4.755 4.170 0.001 0.000 0.336 82 I C 1.249 177.448 176.117 0.136 0.000 1.543 82 I CA -0.974 60.409 61.300 0.138 0.000 1.013 82 I CB 0.636 38.746 38.000 0.184 0.000 1.468 82 I HN -0.087 nan 8.210 nan 0.000 0.515 83 A N 0.932 123.810 122.820 0.097 0.000 2.132 83 A HA 0.487 4.808 4.320 0.001 0.000 0.213 83 A C 2.035 179.666 177.584 0.079 0.000 1.154 83 A CA 0.917 52.998 52.037 0.073 0.000 0.753 83 A CB -0.570 18.456 19.000 0.042 0.000 0.826 83 A HN 0.544 nan 8.150 nan 0.000 0.469 84 G N -1.448 107.402 108.800 0.083 0.000 2.986 84 G HA2 0.206 4.167 3.960 0.001 0.000 0.213 84 G HA3 0.206 4.167 3.960 0.001 0.000 0.213 84 G C 0.482 175.443 174.900 0.101 0.000 1.156 84 G CA 0.194 45.344 45.100 0.083 0.000 0.763 84 G HN 0.402 nan 8.290 nan 0.000 0.547 85 C N 1.598 120.970 119.300 0.120 0.000 2.689 85 C HA 0.199 4.659 4.460 0.001 0.000 0.409 85 C C 0.544 175.632 174.990 0.163 0.000 1.293 85 C CA -1.008 58.083 59.018 0.122 0.000 2.136 85 C CB 0.083 27.898 27.740 0.125 0.000 2.719 85 C HN 0.389 nan 8.230 nan 0.000 0.644 86 N N 2.020 120.780 118.700 0.100 0.000 2.497 86 N HA 0.341 5.081 4.740 0.001 0.000 0.268 86 N C -0.654 174.895 175.510 0.066 0.000 1.171 86 N CA 0.316 53.404 53.050 0.063 0.000 0.948 86 N CB 0.484 38.958 38.487 -0.023 0.000 1.069 86 N HN 0.625 nan 8.380 nan 0.000 0.460 87 F N -0.792 119.113 119.950 -0.075 0.000 2.579 87 F HA 0.650 5.178 4.527 0.001 0.000 0.324 87 F C -0.290 175.397 175.800 -0.190 0.000 1.058 87 F CA -1.051 56.813 58.000 -0.227 0.000 0.944 87 F CB 1.485 40.384 39.000 -0.168 0.000 1.245 87 F HN 0.184 nan 8.300 nan 0.000 0.477 88 E N 1.420 121.460 120.200 -0.267 0.000 2.263 88 E HA 0.667 5.018 4.350 0.001 0.000 0.268 88 E C -1.165 175.392 176.600 -0.071 0.000 0.884 88 E CA -1.067 55.241 56.400 -0.154 0.000 0.766 88 E CB 2.228 31.873 29.700 -0.092 0.000 1.196 88 E HN 0.973 nan 8.360 nan 0.000 0.416 92 V N 0.932 120.890 119.914 0.074 0.000 2.555 92 V HA 0.819 4.939 4.120 0.001 0.000 0.302 92 V C 0.025 176.140 176.094 0.035 0.000 1.038 92 V CA -0.364 61.981 62.300 0.076 0.000 0.887 92 V CB 1.638 33.500 31.823 0.065 0.000 0.991 92 V HN 1.348 nan 8.190 nan 0.000 0.434 93 S N 5.351 121.076 115.700 0.042 0.000 2.547 93 S HA 0.917 5.388 4.470 0.001 0.000 0.281 93 S C -1.128 173.492 174.600 0.033 0.000 1.118 93 S CA -0.804 57.420 58.200 0.040 0.000 0.947 93 S CB 1.857 65.128 63.200 0.119 0.000 1.053 93 S HN 0.928 nan 8.310 nan 0.000 0.482 94 L N -0.187 121.020 121.223 -0.026 0.000 2.434 94 L HA 1.013 5.353 4.340 0.001 0.000 0.260 94 L C -1.494 175.401 176.870 0.042 0.000 0.983 94 L CA -0.980 53.852 54.840 -0.014 0.000 0.820 94 L CB 1.753 43.738 42.059 -0.123 0.000 1.361 94 L HN 0.488 nan 8.230 nan 0.000 0.410 95 V N 3.340 123.294 119.914 0.066 0.000 2.686 95 V HA 0.600 4.721 4.120 0.001 0.000 0.306 95 V C -0.651 175.394 176.094 -0.082 0.000 1.065 95 V CA -0.318 61.983 62.300 0.003 0.000 0.894 95 V CB 1.956 33.809 31.823 0.049 0.000 1.004 95 V HN 0.632 nan 8.190 nan 0.000 0.424 96 I N 4.106 124.572 120.570 -0.174 0.000 2.406 96 I HA 0.482 4.652 4.170 0.001 0.000 0.290 96 I C -0.628 175.360 176.117 -0.215 0.000 0.999 96 I CA -0.453 60.805 61.300 -0.071 0.000 1.124 96 I CB 1.674 39.750 38.000 0.127 0.000 1.289 96 I HN 0.595 nan 8.210 nan 0.000 0.441 97 H N 6.140 125.229 119.070 0.031 0.000 2.718 97 H HA 0.375 4.931 4.556 0.001 0.000 0.295 97 H C -2.436 172.891 175.328 -0.002 0.000 1.051 97 H CA -1.975 54.062 56.048 -0.017 0.000 1.260 97 H CB 1.493 31.215 29.762 -0.068 0.000 1.403 97 H HN 0.192 nan 8.280 nan 0.000 0.488 98 P HA 0.051 nan 4.420 nan 0.000 0.275 98 P C 1.235 178.515 177.300 -0.033 0.000 1.228 98 P CA -0.369 62.766 63.100 0.059 0.000 0.786 98 P CB 1.762 33.507 31.700 0.076 0.000 0.927 99 K N 2.224 122.586 120.400 -0.063 0.000 2.026 99 K HA -0.143 4.178 4.320 0.001 0.000 0.208 99 K C 0.779 177.202 176.600 -0.296 0.000 1.048 99 K CA 1.111 57.324 56.287 -0.122 0.000 0.929 99 K CB -0.194 32.275 32.500 -0.052 0.000 0.713 99 K HN 0.399 nan 8.250 nan 0.000 0.439 100 N N 0.784 119.295 118.700 -0.315 0.000 2.470 100 N HA 0.028 4.769 4.740 0.001 0.000 0.268 100 N C -2.197 173.113 175.510 -0.333 0.000 1.136 100 N CA -1.615 51.110 53.050 -0.542 0.000 0.961 100 N CB 1.501 39.843 38.487 -0.242 0.000 1.067 100 N HN -0.058 nan 8.380 nan 0.000 0.468 101 P HA -0.032 nan 4.420 nan 0.000 0.222 101 P C 0.110 177.445 177.300 0.059 0.000 1.147 101 P CA 1.284 64.285 63.100 -0.165 0.000 0.790 101 P CB 0.133 31.781 31.700 -0.086 0.000 0.780 102 H N -2.132 117.023 119.070 0.142 0.000 2.556 102 H HA 0.092 4.649 4.556 0.001 0.000 0.268 102 H C 0.202 175.578 175.328 0.080 0.000 0.996 102 H CA -0.158 55.982 56.048 0.152 0.000 1.157 102 H CB -0.141 29.666 29.762 0.075 0.000 1.355 102 H HN -0.064 nan 8.280 nan 0.000 0.597 103 V N 2.675 122.671 119.914 0.137 0.000 2.370 103 V HA 0.207 4.327 4.120 0.001 0.000 0.279 103 V C -2.149 174.030 176.094 0.142 0.000 1.029 103 V CA -2.301 60.049 62.300 0.084 0.000 0.870 103 V CB 1.470 33.311 31.823 0.031 0.000 0.984 103 V HN 0.007 nan 8.190 nan 0.000 0.451 104 P HA 0.147 nan 4.420 nan 0.000 0.271 104 P C 0.250 177.609 177.300 0.098 0.000 1.218 104 P CA 0.075 63.173 63.100 -0.004 0.000 0.780 104 P CB 0.390 32.030 31.700 -0.101 0.000 0.901 105 T N 1.738 116.256 114.554 -0.060 0.000 2.926 105 T HA 0.367 4.718 4.350 0.001 0.000 0.307 105 T C 0.325 174.871 174.700 -0.256 0.000 1.059 105 T CA 0.351 62.373 62.100 -0.130 0.000 1.122 105 T CB -0.118 68.590 68.868 -0.267 0.000 0.972 105 T HN 0.562 nan 8.240 nan 0.000 0.545 106 S N 2.092 117.589 115.700 -0.339 0.000 2.651 106 S HA 0.608 5.079 4.470 0.001 0.000 0.279 106 S C -1.415 173.070 174.600 -0.191 0.000 1.148 106 S CA -0.979 56.996 58.200 -0.375 0.000 0.837 106 S CB 2.139 64.801 63.200 -0.897 0.000 1.138 106 S HN 0.897 nan 8.310 nan 0.000 0.478 107 H N 0.082 119.024 119.070 -0.213 0.000 2.974 107 H HA 0.717 5.274 4.556 0.001 0.000 0.366 107 H C -1.572 173.636 175.328 -0.201 0.000 1.155 107 H CA -0.433 55.503 56.048 -0.185 0.000 1.186 107 H CB 1.758 31.459 29.762 -0.102 0.000 1.799 107 H HN 1.179 nan 8.280 nan 0.000 0.541 108 A N 3.870 126.089 122.820 -1.002 0.000 2.587 108 A HA 0.455 4.776 4.320 0.001 0.000 0.293 108 A C -1.532 175.656 177.584 -0.661 0.000 1.087 108 A CA -0.792 50.753 52.037 -0.820 0.000 0.692 108 A CB 2.130 20.622 19.000 -0.846 0.000 1.291 108 A HN 0.811 nan 8.150 nan 0.000 0.407 109 N N -0.059 118.426 118.700 -0.359 0.000 2.452 109 N HA 0.507 5.248 4.740 0.001 0.000 0.277 109 N C -1.893 173.569 175.510 -0.080 0.000 1.078 109 N CA -0.298 52.657 53.050 -0.158 0.000 0.947 109 N CB 2.197 40.649 38.487 -0.059 0.000 1.655 109 N HN 1.048 nan 8.380 nan 0.000 0.490 110 V N 0.778 120.708 119.914 0.026 0.000 2.577 110 V HA 0.794 4.915 4.120 0.001 0.000 0.303 110 V C -0.604 175.598 176.094 0.181 0.000 1.042 110 V CA -0.824 61.560 62.300 0.141 0.000 0.872 110 V CB 1.402 33.400 31.823 0.290 0.000 0.998 110 V HN 0.839 nan 8.190 nan 0.000 0.423 111 R N 3.534 124.160 120.500 0.210 0.000 2.764 111 R HA 0.939 5.280 4.340 0.001 0.000 0.270 111 R C -2.177 174.241 176.300 0.197 0.000 1.014 111 R CA -0.985 55.222 56.100 0.178 0.000 0.904 111 R CB 2.374 32.736 30.300 0.104 0.000 1.236 111 R HN 0.760 nan 8.270 nan 0.000 0.466 112 L N 1.366 122.616 121.223 0.044 0.000 2.431 112 L HA 0.630 4.971 4.340 0.001 0.000 0.266 112 L C -1.811 174.958 176.870 -0.169 0.000 0.978 112 L CA -0.685 54.027 54.840 -0.213 0.000 0.822 112 L CB 2.179 44.001 42.059 -0.396 0.000 1.310 112 L HN 0.727 nan 8.230 nan 0.000 0.409 113 F N 5.268 124.901 119.950 -0.528 0.000 2.495 113 F HA 0.863 5.390 4.527 0.001 0.000 0.327 113 F C -1.356 174.133 175.800 -0.519 0.000 1.103 113 F CA -0.535 57.121 58.000 -0.573 0.000 0.949 113 F CB 1.847 40.247 39.000 -1.000 0.000 1.142 113 F HN 0.268 nan 8.300 nan 0.000 0.457 114 V N 4.418 123.712 119.914 -1.034 0.000 2.808 114 V HA 0.771 4.892 4.120 0.001 0.000 0.308 114 V C -0.943 174.670 176.094 -0.802 0.000 1.099 114 V CA -0.746 61.168 62.300 -0.643 0.000 0.920 114 V CB 1.659 33.301 31.823 -0.302 0.000 1.014 114 V HN 1.018 nan 8.190 nan 0.000 0.425 115 A N 3.434 126.004 122.820 -0.418 0.000 2.323 115 A HA 0.681 5.001 4.320 0.001 0.000 0.305 115 A C -0.124 177.432 177.584 -0.045 0.000 1.275 115 A CA -0.548 51.377 52.037 -0.187 0.000 0.804 115 A CB 0.582 19.610 19.000 0.046 0.000 1.152 115 A HN 0.969 nan 8.150 nan 0.000 0.487 116 E N 3.045 123.216 120.200 -0.049 0.000 2.316 116 E HA 0.429 4.780 4.350 0.001 0.000 0.275 116 E C -0.489 176.121 176.600 0.018 0.000 1.029 116 E CA -0.195 56.195 56.400 -0.018 0.000 0.871 116 E CB 0.673 30.352 29.700 -0.036 0.000 1.022 116 E HN 0.557 nan 8.360 nan 0.000 0.418 117 R N 2.584 123.101 120.500 0.028 0.000 2.599 117 R HA 0.174 4.515 4.340 0.001 0.000 0.295 117 R C -0.934 175.386 176.300 0.033 0.000 0.963 117 R CA -0.865 55.258 56.100 0.038 0.000 0.883 117 R CB 1.624 31.953 30.300 0.048 0.000 1.171 117 R HN 0.681 nan 8.270 nan 0.000 0.450 118 E N 1.411 121.631 120.200 0.033 0.000 2.217 118 E HA 0.309 4.659 4.350 0.001 0.000 0.279 118 E C 0.644 177.263 176.600 0.031 0.000 1.068 118 E CA 0.105 56.523 56.400 0.031 0.000 0.882 118 E CB 0.774 30.490 29.700 0.027 0.000 1.039 118 E HN 0.758 nan 8.360 nan 0.000 0.418 119 G N 3.273 112.093 108.800 0.035 0.000 2.417 119 G HA2 -0.333 3.628 3.960 0.001 0.000 0.233 119 G HA3 -0.333 3.628 3.960 0.001 0.000 0.233 119 G C 0.142 175.062 174.900 0.032 0.000 1.103 119 G CA 0.434 45.554 45.100 0.034 0.000 0.647 119 G HN 0.489 nan 8.290 nan 0.000 0.512 120 K N 2.167 122.585 120.400 0.030 0.000 2.118 120 K HA 0.652 4.973 4.320 0.001 0.000 0.264 120 K C 0.660 177.270 176.600 0.016 0.000 1.000 120 K CA 0.587 56.890 56.287 0.027 0.000 0.929 120 K CB 0.499 33.018 32.500 0.033 0.000 1.021 120 K HN 0.757 nan 8.250 nan 0.000 0.463 121 E N 3.007 123.213 120.200 0.009 0.000 2.436 121 E HA 0.096 4.446 4.350 0.001 0.000 0.262 121 E C -2.180 174.434 176.600 0.024 0.000 1.063 121 E CA -1.475 54.916 56.400 -0.015 0.000 0.944 121 E CB -1.117 28.590 29.700 0.011 0.000 0.950 121 E HN 0.405 nan 8.360 nan 0.000 0.444 122 P HA 0.224 nan 4.420 nan 0.000 0.272 122 P C 0.018 177.430 177.300 0.186 0.000 1.223 122 P CA -0.114 63.039 63.100 0.088 0.000 0.784 122 P CB 0.956 32.693 31.700 0.061 0.000 0.923 123 V N 1.078 121.086 119.914 0.156 0.000 2.567 123 V HA 0.764 4.885 4.120 0.001 0.000 0.289 123 V C -0.491 175.742 176.094 0.232 0.000 1.049 123 V CA -0.506 61.892 62.300 0.162 0.000 0.969 123 V CB 0.774 32.723 31.823 0.210 0.000 0.995 123 V HN 0.802 nan 8.190 nan 0.000 0.471 124 W N 3.721 125.118 121.300 0.161 0.000 3.146 124 W HA 0.738 5.399 4.660 0.001 0.000 0.319 124 W C -2.210 174.467 176.519 0.263 0.000 1.258 124 W CA -1.401 55.953 57.345 0.014 0.000 1.189 124 W CB 0.834 30.280 29.460 -0.023 0.000 1.412 124 W HN 1.026 nan 8.180 nan 0.000 0.567 125 W N 0.847 122.303 121.300 0.260 0.000 3.146 125 W HA 0.746 5.407 4.660 0.001 0.000 0.319 125 W C -2.359 174.220 176.519 0.100 0.000 1.258 125 W CA -1.531 55.906 57.345 0.154 0.000 1.189 125 W CB 0.384 29.850 29.460 0.011 0.000 1.412 125 W HN 0.231 nan 8.180 nan 0.000 0.567 126 F N 1.551 121.808 119.950 0.513 0.000 2.457 126 F HA 0.931 5.459 4.527 0.001 0.000 0.330 126 F C 0.979 177.016 175.800 0.394 0.000 1.069 126 F CA -0.171 58.060 58.000 0.385 0.000 1.009 126 F CB 2.127 41.346 39.000 0.366 0.000 1.276 126 F HN 0.738 nan 8.300 nan 0.000 0.492 127 G N -0.897 108.162 108.800 0.433 0.000 2.646 127 G HA2 0.575 4.536 3.960 0.001 0.000 0.291 127 G HA3 0.575 4.536 3.960 0.001 0.000 0.291 127 G C -0.763 173.756 174.900 -0.635 0.000 1.445 127 G CA -0.073 44.934 45.100 -0.155 0.000 0.814 127 G HN 1.203 nan 8.290 nan 0.000 0.495 128 G N -1.278 106.670 108.800 -1.420 0.000 2.217 128 G HA2 0.676 4.637 3.960 0.001 0.000 0.126 128 G HA3 0.676 4.637 3.960 0.001 0.000 0.126 128 G C 0.584 174.787 174.900 -1.161 0.000 1.293 128 G CA 1.327 45.843 45.100 -0.974 0.000 1.219 128 G HN 2.921 nan 8.290 nan 0.000 0.477 129 G N -1.747 106.716 108.800 -0.563 0.000 2.316 129 G HA2 0.625 4.586 3.960 0.001 0.000 0.349 129 G HA3 0.625 4.586 3.960 0.001 0.000 0.349 129 G C -0.730 174.137 174.900 -0.055 0.000 1.274 129 G CA 0.276 45.223 45.100 -0.255 0.000 1.018 129 G HN 2.362 nan 8.290 nan 0.000 0.486 130 F N -0.154 119.823 119.950 0.046 0.000 2.645 130 F HA 0.878 5.406 4.527 0.001 0.000 0.310 130 F C -0.857 175.059 175.800 0.194 0.000 1.102 130 F CA -0.874 57.142 58.000 0.026 0.000 0.952 130 F CB 2.041 41.073 39.000 0.054 0.000 1.326 130 F HN 0.936 nan 8.300 nan 0.000 0.456 131 D N 1.172 121.883 120.400 0.519 0.000 2.609 131 D HA 0.495 5.136 4.640 0.001 0.000 0.239 131 D C -2.155 174.206 176.300 0.101 0.000 1.229 131 D CA -0.476 53.741 54.000 0.362 0.000 0.808 131 D CB 2.777 43.546 40.800 -0.052 0.000 1.448 131 D HN 0.730 nan 8.370 nan 0.000 0.433 132 L N 0.325 121.404 121.223 -0.239 0.000 2.333 132 L HA 0.461 4.801 4.340 0.001 0.000 0.280 132 L C -0.667 175.997 176.870 -0.342 0.000 1.004 132 L CA 0.130 54.645 54.840 -0.540 0.000 0.820 132 L CB 1.922 43.277 42.059 -1.173 0.000 1.247 132 L HN 0.512 nan 8.230 nan 0.000 0.416 133 T N 6.314 120.669 114.554 -0.332 0.000 3.154 133 T HA 0.411 4.762 4.350 0.001 0.000 0.381 133 T C -2.640 171.700 174.700 -0.601 0.000 1.368 133 T CA -0.975 60.908 62.100 -0.362 0.000 1.155 133 T CB 0.629 69.340 68.868 -0.262 0.000 1.120 133 T HN 0.391 nan 8.240 nan 0.000 0.570 134 P HA 0.302 nan 4.420 nan 0.000 0.276 134 P C -0.400 176.446 177.300 -0.756 0.000 1.252 134 P CA -0.482 62.287 63.100 -0.553 0.000 0.802 134 P CB 1.413 32.895 31.700 -0.364 0.000 1.035 135 Y N -1.098 119.121 120.300 -0.134 0.000 2.576 135 Y HA 0.218 4.768 4.550 0.001 0.000 0.282 135 Y C 0.810 176.555 175.900 -0.258 0.000 1.139 135 Y CA 0.706 58.701 58.100 -0.174 0.000 1.265 135 Y CB -0.394 37.925 38.460 -0.235 0.000 1.376 135 Y HN 0.162 nan 8.280 nan 0.000 0.511 136 Y N 1.122 121.524 120.300 0.170 0.000 2.854 136 Y HA 0.653 5.204 4.550 0.001 0.000 0.330 136 Y C 0.187 176.042 175.900 -0.074 0.000 1.037 136 Y CA -1.717 56.429 58.100 0.078 0.000 1.263 136 Y CB 0.186 38.742 38.460 0.159 0.000 1.120 136 Y HN 0.013 nan 8.280 nan 0.000 0.532 137 A N 2.056 124.696 122.820 -0.300 0.000 2.407 137 A HA 0.587 4.908 4.320 0.001 0.000 0.248 137 A C -0.313 176.994 177.584 -0.463 0.000 1.082 137 A CA -0.356 51.292 52.037 -0.648 0.000 0.785 137 A CB 0.364 18.502 19.000 -1.438 0.000 1.020 137 A HN 0.428 nan 8.150 nan 0.000 0.489 138 V N 2.236 122.051 119.914 -0.165 0.000 2.483 138 V HA 0.190 4.311 4.120 0.001 0.000 0.295 138 V C 1.331 177.582 176.094 0.262 0.000 1.035 138 V CA -0.088 62.282 62.300 0.117 0.000 0.896 138 V CB 1.410 33.282 31.823 0.083 0.000 0.986 138 V HN 1.182 nan 8.190 nan 0.000 0.447 139 E N 3.020 123.516 120.200 0.492 0.000 2.049 139 E HA -0.250 4.101 4.350 0.001 0.000 0.198 139 E C 1.912 178.653 176.600 0.235 0.000 1.007 139 E CA 2.325 59.015 56.400 0.482 0.000 0.809 139 E CB -0.054 29.907 29.700 0.435 0.000 0.749 139 E HN 0.786 nan 8.360 nan 0.000 0.450 140 E N -0.408 119.901 120.200 0.182 0.000 2.130 140 E HA -0.242 4.109 4.350 0.001 0.000 0.196 140 E C 1.482 178.130 176.600 0.079 0.000 0.998 140 E CA 1.544 58.019 56.400 0.126 0.000 0.806 140 E CB -0.081 29.680 29.700 0.101 0.000 0.738 140 E HN 0.353 nan 8.360 nan 0.000 0.459 141 D N -0.242 120.182 120.400 0.040 0.000 2.117 141 D HA -0.138 4.502 4.640 0.001 0.000 0.198 141 D C 2.059 178.337 176.300 -0.037 0.000 0.982 141 D CA 0.916 54.920 54.000 0.006 0.000 0.828 141 D CB -0.551 40.228 40.800 -0.035 0.000 0.967 141 D HN 0.292 nan 8.370 nan 0.000 0.464 142 C N 0.743 119.914 119.300 -0.214 0.000 2.436 142 C HA -0.053 4.408 4.460 0.001 0.000 0.277 142 C C 2.636 177.474 174.990 -0.255 0.000 1.241 142 C CA 0.222 58.913 59.018 -0.545 0.000 1.721 142 C CB -0.852 25.962 27.740 -1.544 0.000 2.043 142 C HN 0.350 nan 8.230 nan 0.000 0.472 143 R N 1.027 121.497 120.500 -0.050 0.000 2.094 143 R HA -0.156 4.184 4.340 0.001 0.000 0.239 143 R C 1.787 178.227 176.300 0.233 0.000 1.137 143 R CA 2.053 58.295 56.100 0.237 0.000 0.943 143 R CB -0.516 29.943 30.300 0.265 0.000 0.850 143 R HN 0.539 nan 8.270 nan 0.000 0.433 144 D N 0.131 120.633 120.400 0.170 0.000 2.092 144 D HA -0.186 4.455 4.640 0.001 0.000 0.193 144 D C 1.583 178.002 176.300 0.197 0.000 0.994 144 D CA 1.064 55.157 54.000 0.154 0.000 0.828 144 D CB -0.436 40.430 40.800 0.111 0.000 0.963 144 D HN 0.054 nan 8.370 nan 0.000 0.450 145 F N 1.048 121.042 119.950 0.074 0.000 2.115 145 F HA -0.286 4.242 4.527 0.001 0.000 0.300 145 F C 2.449 178.352 175.800 0.170 0.000 1.092 145 F CA 1.778 59.834 58.000 0.093 0.000 1.245 145 F CB -0.076 38.955 39.000 0.051 0.000 0.995 145 F HN 0.167 nan 8.300 nan 0.000 0.481 146 H N -1.605 117.652 119.070 0.312 0.000 2.415 146 H HA -0.085 4.472 4.556 0.001 0.000 0.297 146 H C 2.123 177.538 175.328 0.146 0.000 1.048 146 H CA 1.312 57.559 56.048 0.332 0.000 1.365 146 H CB -0.159 29.881 29.762 0.463 0.000 1.421 146 H HN 0.255 nan 8.280 nan 0.000 0.533 147 Q N 1.109 121.037 119.800 0.213 0.000 2.124 147 Q HA -0.093 4.248 4.340 0.001 0.000 0.202 147 Q C 2.374 178.397 176.000 0.038 0.000 0.977 147 Q CA 1.184 57.031 55.803 0.073 0.000 0.850 147 Q CB -0.399 28.391 28.738 0.086 0.000 0.901 147 Q HN 0.188 nan 8.270 nan 0.000 0.429 148 V N 0.416 120.363 119.914 0.056 0.000 2.407 148 V HA -0.252 3.869 4.120 0.001 0.000 0.248 148 V C 2.225 178.379 176.094 0.099 0.000 1.055 148 V CA 1.722 64.046 62.300 0.040 0.000 1.049 148 V CB -1.228 30.580 31.823 -0.024 0.000 0.662 148 V HN 0.480 nan 8.190 nan 0.000 0.455 149 A N -0.831 122.075 122.820 0.143 0.000 1.898 149 A HA -0.279 4.042 4.320 0.001 0.000 0.216 149 A C 2.265 179.966 177.584 0.196 0.000 1.181 149 A CA 1.939 54.100 52.037 0.208 0.000 0.620 149 A CB -0.537 18.583 19.000 0.200 0.000 0.819 149 A HN 0.568 nan 8.150 nan 0.000 0.442 150 Q N -0.577 119.176 119.800 -0.078 0.000 2.124 150 Q HA -0.227 4.114 4.340 0.001 0.000 0.202 150 Q C 1.160 177.135 176.000 -0.043 0.000 0.977 150 Q CA 1.788 57.371 55.803 -0.367 0.000 0.850 150 Q CB -0.142 28.143 28.738 -0.754 0.000 0.901 150 Q HN 0.596 nan 8.270 nan 0.000 0.429 151 D N 0.463 120.864 120.400 0.001 0.000 2.117 151 D HA -0.141 4.500 4.640 0.001 0.000 0.198 151 D C 1.982 178.338 176.300 0.094 0.000 0.982 151 D CA 1.152 55.175 54.000 0.038 0.000 0.828 151 D CB -0.168 40.649 40.800 0.029 0.000 0.967 151 D HN 0.378 nan 8.370 nan 0.000 0.464 152 L N -0.994 120.306 121.223 0.128 0.000 2.217 152 L HA 0.011 4.352 4.340 0.001 0.000 0.211 152 L C 2.078 179.133 176.870 0.309 0.000 1.107 152 L CA 1.192 56.134 54.840 0.169 0.000 0.783 152 L CB -0.976 41.155 42.059 0.120 0.000 0.919 152 L HN -0.067 nan 8.230 nan 0.000 0.442 153 C N -0.057 119.442 119.300 0.332 0.000 2.486 153 C HA -0.041 4.420 4.460 0.001 0.000 0.279 153 C C 2.762 177.994 174.990 0.404 0.000 1.302 153 C CA 0.700 60.012 59.018 0.489 0.000 1.720 153 C CB -0.721 27.301 27.740 0.470 0.000 2.030 153 C HN 0.727 nan 8.230 nan 0.000 0.490 154 K N 1.614 122.151 120.400 0.228 0.000 2.044 154 K HA -0.262 4.059 4.320 0.001 0.000 0.224 154 K C -0.768 175.871 176.600 0.064 0.000 1.056 154 K CA 2.808 59.168 56.287 0.123 0.000 0.962 154 K CB -1.277 31.259 32.500 0.059 0.000 0.730 154 K HN 0.324 nan 8.250 nan 0.000 0.453 155 P HA -0.170 nan 4.420 nan 0.000 0.220 155 P C 0.835 177.910 177.300 -0.374 0.000 1.144 155 P CA 1.419 64.383 63.100 -0.228 0.000 0.800 155 P CB -0.140 31.340 31.700 -0.367 0.000 0.772 156 F N -0.115 119.791 119.950 -0.074 0.000 2.615 156 F HA 0.334 4.862 4.527 0.001 0.000 0.297 156 F C 1.619 177.293 175.800 -0.211 0.000 1.124 156 F CA 1.057 58.917 58.000 -0.233 0.000 1.451 156 F CB -0.134 38.745 39.000 -0.202 0.000 1.103 156 F HN -0.000 nan 8.300 nan 0.000 0.569 157 G N -1.217 107.620 108.800 0.062 0.000 2.318 157 G HA2 0.341 4.302 3.960 0.001 0.000 0.302 157 G HA3 0.341 4.302 3.960 0.001 0.000 0.302 157 G C 0.244 175.191 174.900 0.078 0.000 1.633 157 G CA -0.565 44.566 45.100 0.051 0.000 0.965 157 G HN 0.108 nan 8.290 nan 0.000 0.698 158 A N -0.069 122.784 122.820 0.054 0.000 2.024 158 A HA 0.056 4.377 4.320 0.001 0.000 0.220 158 A C 1.537 179.166 177.584 0.075 0.000 1.164 158 A CA 2.416 54.488 52.037 0.059 0.000 0.643 158 A CB -0.106 18.918 19.000 0.040 0.000 0.806 158 A HN 0.581 nan 8.150 nan 0.000 0.451 159 D N -1.303 119.133 120.400 0.059 0.000 2.433 159 D HA 0.168 4.809 4.640 0.001 0.000 0.211 159 D C 1.600 177.885 176.300 -0.025 0.000 1.114 159 D CA 0.152 54.170 54.000 0.031 0.000 0.837 159 D CB 0.471 41.275 40.800 0.007 0.000 0.984 159 D HN 0.218 nan 8.370 nan 0.000 0.505 160 V N 0.950 120.861 119.914 -0.004 0.000 2.261 160 V HA -0.282 3.839 4.120 0.001 0.000 0.246 160 V C 2.274 178.297 176.094 -0.119 0.000 1.047 160 V CA 1.499 63.702 62.300 -0.161 0.000 1.015 160 V CB -0.644 31.212 31.823 0.056 0.000 0.642 160 V HN 0.211 nan 8.190 nan 0.000 0.446 161 Y N 1.495 121.817 120.300 0.037 0.000 2.128 161 Y HA -0.244 4.307 4.550 0.001 0.000 0.284 161 Y C 2.376 178.352 175.900 0.127 0.000 1.154 161 Y CA 1.670 59.850 58.100 0.134 0.000 1.149 161 Y CB -0.645 37.915 38.460 0.167 0.000 0.976 161 Y HN 0.143 nan 8.280 nan 0.000 0.505 162 A N 0.699 123.547 122.820 0.047 0.000 1.908 162 A HA -0.236 4.084 4.320 0.001 0.000 0.218 162 A C 2.283 179.833 177.584 -0.057 0.000 1.181 162 A CA 2.092 54.116 52.037 -0.021 0.000 0.627 162 A CB -0.669 18.367 19.000 0.059 0.000 0.818 162 A HN 0.580 nan 8.150 nan 0.000 0.445 163 R N -1.573 118.868 120.500 -0.097 0.000 2.062 163 R HA -0.066 4.275 4.340 0.001 0.000 0.231 163 R C 1.808 178.257 176.300 0.248 0.000 1.136 163 R CA 1.713 57.787 56.100 -0.044 0.000 0.948 163 R CB -0.458 29.691 30.300 -0.252 0.000 0.845 163 R HN 0.531 nan 8.270 nan 0.000 0.430 164 F N 1.228 121.308 119.950 0.216 0.000 2.456 164 F HA 0.047 4.575 4.527 0.001 0.000 0.298 164 F C 2.216 178.144 175.800 0.213 0.000 1.104 164 F CA 0.417 58.606 58.000 0.315 0.000 1.435 164 F CB -0.520 38.667 39.000 0.311 0.000 1.078 164 F HN -0.083 nan 8.300 nan 0.000 0.546 165 K N 0.985 121.460 120.400 0.125 0.000 2.062 165 K HA -0.060 4.261 4.320 0.001 0.000 0.205 165 K C 2.303 179.009 176.600 0.177 0.000 1.051 165 K CA 1.285 57.585 56.287 0.022 0.000 0.941 165 K CB -0.725 31.471 32.500 -0.506 0.000 0.719 165 K HN 0.334 nan 8.250 nan 0.000 0.440 166 G N 0.641 109.531 108.800 0.151 0.000 2.421 166 G HA2 -0.263 3.698 3.960 0.001 0.000 0.216 166 G HA3 -0.263 3.698 3.960 0.001 0.000 0.216 166 G C 1.354 176.431 174.900 0.296 0.000 1.171 166 G CA 0.426 45.626 45.100 0.167 0.000 0.775 166 G HN 0.382 nan 8.290 nan 0.000 0.543 167 W N 0.749 122.172 121.300 0.205 0.000 2.338 167 W HA -0.109 4.552 4.660 0.002 0.000 0.304 167 W C 2.533 179.218 176.519 0.276 0.000 1.212 167 W CA 0.582 58.093 57.345 0.277 0.000 1.264 167 W CB -1.042 28.670 29.460 0.420 0.000 1.142 167 W HN 0.262 nan 8.180 nan 0.000 0.512 168 C N 0.943 120.571 119.300 0.546 0.000 2.413 168 C HA -0.218 4.242 4.460 0.001 0.000 0.276 168 C C 2.357 177.571 174.990 0.375 0.000 1.248 168 C CA 1.926 61.213 59.018 0.449 0.000 1.742 168 C CB -1.293 26.714 27.740 0.446 0.000 2.017 168 C HN 0.216 nan 8.230 nan 0.000 0.481 169 D N 0.174 120.758 120.400 0.306 0.000 2.149 169 D HA -0.082 4.559 4.640 0.001 0.000 0.201 169 D C 2.127 178.506 176.300 0.132 0.000 0.972 169 D CA 1.179 55.309 54.000 0.216 0.000 0.835 169 D CB -0.488 40.401 40.800 0.148 0.000 0.966 169 D HN 0.666 nan 8.370 nan 0.000 0.476 170 E N -0.497 119.786 120.200 0.138 0.000 2.072 170 E HA -0.152 4.199 4.350 0.001 0.000 0.190 170 E C 1.793 178.471 176.600 0.129 0.000 0.982 170 E CA 0.509 56.953 56.400 0.072 0.000 0.803 170 E CB -0.093 29.665 29.700 0.097 0.000 0.755 170 E HN 0.289 nan 8.360 nan 0.000 0.453 171 Y N 0.829 121.124 120.300 -0.010 0.000 2.090 171 Y HA -0.133 4.417 4.550 0.001 0.000 0.274 171 Y C 0.680 176.438 175.900 -0.237 0.000 1.110 171 Y CA 1.126 59.044 58.100 -0.303 0.000 1.092 171 Y CB -0.236 37.565 38.460 -1.098 0.000 0.992 171 Y HN -0.134 nan 8.280 nan 0.000 0.479 172 F N 1.687 121.591 119.950 -0.077 0.000 2.677 172 F HA 0.153 4.681 4.527 0.001 0.000 0.358 172 F C -0.679 175.021 175.800 -0.166 0.000 1.266 172 F CA 0.294 58.046 58.000 -0.414 0.000 1.262 172 F CB -1.044 37.727 39.000 -0.382 0.000 1.684 172 F HN -0.050 nan 8.300 nan 0.000 0.671 173 F N 1.917 121.820 119.950 -0.080 0.000 2.596 173 F HA 0.574 5.101 4.527 0.001 0.000 0.311 173 F C -1.066 174.767 175.800 0.055 0.000 1.116 173 F CA -1.640 56.355 58.000 -0.008 0.000 0.957 173 F CB 1.227 40.227 39.000 0.001 0.000 1.250 173 F HN -0.023 nan 8.300 nan 0.000 0.444 174 I N 8.823 128.982 120.570 -0.685 0.000 2.310 174 I HA 0.264 4.435 4.170 0.001 0.000 0.287 174 I C -1.739 173.833 176.117 -0.908 0.000 1.073 174 I CA -1.767 59.162 61.300 -0.619 0.000 1.216 174 I CB 1.078 38.735 38.000 -0.572 0.000 1.415 174 I HN 0.455 nan 8.210 nan 0.000 0.480 175 P HA -0.215 nan 4.420 nan 0.000 0.215 175 P C 1.439 178.673 177.300 -0.109 0.000 1.153 175 P CA 1.633 64.654 63.100 -0.131 0.000 0.853 175 P CB -0.126 31.647 31.700 0.122 0.000 0.788 176 Y N -0.605 119.650 120.300 -0.075 0.000 2.421 176 Y HA 0.057 4.607 4.550 0.001 0.000 0.292 176 Y C 1.855 177.730 175.900 -0.041 0.000 1.136 176 Y CA 0.672 58.748 58.100 -0.040 0.000 1.255 176 Y CB -1.247 37.192 38.460 -0.034 0.000 0.991 176 Y HN -0.185 nan 8.280 nan 0.000 0.552 177 R N 0.619 120.875 120.500 -0.406 0.000 2.362 177 R HA 0.041 4.382 4.340 0.001 0.000 0.227 177 R C 0.135 176.310 176.300 -0.209 0.000 0.905 177 R CA 0.251 56.206 56.100 -0.242 0.000 1.067 177 R CB -0.154 29.956 30.300 -0.318 0.000 1.078 177 R HN 0.242 nan 8.270 nan 0.000 0.516 178 N N 2.562 121.111 118.700 -0.252 0.000 2.699 178 N HA -0.241 4.499 4.740 0.001 0.000 0.256 178 N C -1.284 174.121 175.510 -0.174 0.000 0.993 178 N CA 1.029 54.008 53.050 -0.119 0.000 0.759 178 N CB -0.663 37.866 38.487 0.070 0.000 0.906 178 N HN 0.511 nan 8.380 nan 0.000 0.541 179 E N -0.684 119.136 120.200 -0.634 0.000 2.287 179 E HA 0.580 4.930 4.350 0.001 0.000 0.274 179 E C -0.535 175.846 176.600 -0.366 0.000 0.896 179 E CA -0.413 55.810 56.400 -0.296 0.000 0.788 179 E CB 0.950 30.543 29.700 -0.180 0.000 1.244 179 E HN 0.411 nan 8.360 nan 0.000 0.408 180 A N 3.544 126.428 122.820 0.107 0.000 2.507 180 A HA 0.058 4.378 4.320 0.001 0.000 0.235 180 A C 1.007 178.611 177.584 0.033 0.000 1.070 180 A CA 0.380 52.552 52.037 0.225 0.000 0.768 180 A CB 0.552 19.719 19.000 0.279 0.000 1.011 180 A HN 0.908 nan 8.150 nan 0.000 0.502 181 R N 0.792 121.288 120.500 -0.006 0.000 2.066 181 R HA 0.157 4.498 4.340 0.001 0.000 0.224 181 R C 1.019 177.290 176.300 -0.047 0.000 1.122 181 R CA 1.350 57.391 56.100 -0.098 0.000 0.974 181 R CB -0.042 30.062 30.300 -0.327 0.000 0.871 181 R HN 0.884 nan 8.270 nan 0.000 0.435 182 G N -0.369 108.417 108.800 -0.024 0.000 3.058 182 G HA2 0.293 4.254 3.960 0.001 0.000 0.282 182 G HA3 0.293 4.254 3.960 0.001 0.000 0.282 182 G C -0.139 174.803 174.900 0.070 0.000 1.248 182 G CA -0.159 44.917 45.100 -0.038 0.000 0.822 182 G HN 0.190 nan 8.290 nan 0.000 0.579 183 I N -1.412 119.193 120.570 0.058 0.000 3.883 183 I HA 0.573 4.744 4.170 0.001 0.000 0.326 183 I C 1.033 177.403 176.117 0.421 0.000 1.283 183 I CA 0.009 61.452 61.300 0.239 0.000 1.161 183 I CB 0.060 38.123 38.000 0.105 0.000 1.012 183 I HN 1.396 nan 8.210 nan 0.000 0.421 184 G N -0.125 108.859 108.800 0.307 0.000 2.418 184 G HA2 0.389 4.350 3.960 0.001 0.000 0.206 184 G HA3 0.389 4.350 3.960 0.001 0.000 0.206 184 G C 0.121 175.245 174.900 0.373 0.000 1.202 184 G CA -0.323 45.021 45.100 0.407 0.000 1.061 184 G HN 1.430 nan 8.290 nan 0.000 0.563 185 G N -1.798 107.181 108.800 0.297 0.000 2.249 185 G HA2 0.470 4.431 3.960 0.001 0.000 0.089 185 G HA3 0.470 4.431 3.960 0.001 0.000 0.089 185 G C -1.082 173.842 174.900 0.040 0.000 1.206 185 G CA 0.052 45.236 45.100 0.141 0.000 1.190 185 G HN 1.523 nan 8.290 nan 0.000 0.454 186 L N 0.202 121.367 121.223 -0.096 0.000 2.362 186 L HA 0.865 5.206 4.340 0.001 0.000 0.271 186 L C -1.169 175.809 176.870 0.181 0.000 1.002 186 L CA -0.821 54.028 54.840 0.015 0.000 0.818 186 L CB 2.301 44.244 42.059 -0.192 0.000 1.298 186 L HN 0.601 nan 8.230 nan 0.000 0.420 187 F N 3.753 123.729 119.950 0.044 0.000 2.596 187 F HA 0.683 5.211 4.527 0.001 0.000 0.311 187 F C -1.517 173.961 175.800 -0.538 0.000 1.116 187 F CA -0.716 57.127 58.000 -0.262 0.000 0.957 187 F CB 1.684 40.560 39.000 -0.206 0.000 1.250 187 F HN 0.312 nan 8.300 nan 0.000 0.444 188 F N 3.026 122.004 119.950 -1.620 0.000 2.641 188 F HA 0.726 5.253 4.527 0.001 0.000 0.308 188 F C -1.947 172.873 175.800 -1.634 0.000 1.105 188 F CA -0.757 56.130 58.000 -1.856 0.000 0.964 188 F CB 1.482 39.381 39.000 -1.836 0.000 1.294 188 F HN 0.399 nan 8.300 nan 0.000 0.442 189 D N 0.375 120.022 120.400 -1.256 0.000 2.579 189 D HA 0.295 4.936 4.640 0.001 0.000 0.257 189 D C -0.758 175.443 176.300 -0.164 0.000 1.176 189 D CA 0.005 53.655 54.000 -0.582 0.000 0.914 189 D CB 1.962 42.429 40.800 -0.554 0.000 1.431 189 D HN 0.744 nan 8.370 nan 0.000 0.454 190 D N 0.426 120.719 120.400 -0.179 0.000 2.772 190 D HA -0.208 4.432 4.640 0.001 0.000 0.233 190 D C -0.059 176.228 176.300 -0.021 0.000 1.143 190 D CA 0.269 54.086 54.000 -0.306 0.000 0.700 190 D CB -0.905 39.708 40.800 -0.310 0.000 1.076 190 D HN 0.164 nan 8.370 nan 0.000 0.430 191 L N 1.841 123.158 121.223 0.157 0.000 2.401 191 L HA 0.211 4.551 4.340 0.001 0.000 0.283 191 L C 0.649 177.623 176.870 0.173 0.000 1.151 191 L CA 0.150 55.047 54.840 0.094 0.000 0.942 191 L CB -0.079 42.045 42.059 0.108 0.000 1.283 191 L HN 0.098 nan 8.230 nan 0.000 0.442 192 N N 0.360 119.017 118.700 -0.073 0.000 2.301 192 N HA 0.065 4.806 4.740 0.001 0.000 0.247 192 N C 0.550 175.950 175.510 -0.184 0.000 1.347 192 N CA -0.224 52.650 53.050 -0.293 0.000 0.844 192 N CB 0.027 38.015 38.487 -0.831 0.000 1.332 192 N HN 0.377 nan 8.380 nan 0.000 0.494 193 E N -0.212 119.867 120.200 -0.202 0.000 2.208 193 E HA 0.078 4.429 4.350 0.001 0.000 0.193 193 E C -0.257 176.358 176.600 0.025 0.000 0.988 193 E CA 0.897 57.186 56.400 -0.185 0.000 0.828 193 E CB 0.112 29.598 29.700 -0.357 0.000 0.763 193 E HN 0.384 nan 8.360 nan 0.000 0.478 194 W N 0.396 121.781 121.300 0.142 0.000 2.497 194 W HA 0.381 5.042 4.660 0.001 0.000 0.359 194 W C -2.105 174.611 176.519 0.328 0.000 1.131 194 W CA -3.348 54.107 57.345 0.184 0.000 1.280 194 W CB -0.800 28.747 29.460 0.145 0.000 1.319 194 W HN -0.217 nan 8.180 nan 0.000 0.626 195 P HA -0.122 nan 4.420 nan 0.000 0.266 195 P C 0.987 178.651 177.300 0.606 0.000 1.193 195 P CA 0.213 63.624 63.100 0.517 0.000 0.770 195 P CB 0.441 32.344 31.700 0.338 0.000 0.836 196 F N 3.171 123.365 119.950 0.408 0.000 2.045 196 F HA -0.328 4.200 4.527 0.001 0.000 0.297 196 F C 2.110 178.022 175.800 0.187 0.000 1.114 196 F CA 1.958 59.989 58.000 0.051 0.000 1.207 196 F CB -0.299 38.431 39.000 -0.450 0.000 0.964 196 F HN 0.372 nan 8.300 nan 0.000 0.486 197 E N 0.355 120.808 120.200 0.422 0.000 2.097 197 E HA -0.305 4.045 4.350 0.001 0.000 0.196 197 E C 2.257 178.966 176.600 0.180 0.000 1.000 197 E CA 1.713 58.303 56.400 0.317 0.000 0.804 197 E CB -0.445 29.418 29.700 0.272 0.000 0.740 197 E HN 0.506 nan 8.360 nan 0.000 0.454 198 K N 0.379 120.901 120.400 0.203 0.000 2.025 198 K HA -0.126 4.195 4.320 0.001 0.000 0.207 198 K C 2.356 179.081 176.600 0.209 0.000 1.049 198 K CA 1.534 57.929 56.287 0.181 0.000 0.933 198 K CB -0.130 32.440 32.500 0.116 0.000 0.714 198 K HN 0.133 nan 8.250 nan 0.000 0.438 199 C N 0.723 120.189 119.300 0.278 0.000 2.401 199 C HA -0.157 4.304 4.460 0.001 0.000 0.276 199 C C 2.450 177.187 174.990 -0.422 0.000 1.233 199 C CA 0.528 59.612 59.018 0.110 0.000 1.753 199 C CB -1.231 26.632 27.740 0.205 0.000 2.029 199 C HN 0.569 nan 8.230 nan 0.000 0.478 200 F N 2.402 121.853 119.950 -0.830 0.000 2.069 200 F HA -0.118 4.410 4.527 0.001 0.000 0.298 200 F C 2.391 177.888 175.800 -0.505 0.000 1.113 200 F CA 1.854 59.299 58.000 -0.925 0.000 1.214 200 F CB -0.844 37.776 39.000 -0.634 0.000 0.978 200 F HN 0.204 nan 8.300 nan 0.000 0.474 201 E N -0.178 119.770 120.200 -0.420 0.000 2.118 201 E HA -0.271 4.080 4.350 0.001 0.000 0.195 201 E C 2.217 178.676 176.600 -0.235 0.000 0.992 201 E CA 1.392 57.575 56.400 -0.361 0.000 0.804 201 E CB -1.017 28.669 29.700 -0.024 0.000 0.741 201 E HN 0.527 nan 8.360 nan 0.000 0.458 202 F N 1.559 121.221 119.950 -0.480 0.000 2.102 202 F HA -0.224 4.304 4.527 0.001 0.000 0.298 202 F C 2.346 177.863 175.800 -0.470 0.000 1.105 202 F CA 1.714 59.208 58.000 -0.842 0.000 1.239 202 F CB -0.327 38.154 39.000 -0.866 0.000 0.991 202 F HN -0.069 nan 8.300 nan 0.000 0.474 203 V N -1.118 118.562 119.914 -0.390 0.000 2.626 203 V HA -0.228 3.893 4.120 0.001 0.000 0.252 203 V C 1.939 177.882 176.094 -0.251 0.000 1.067 203 V CA 1.877 64.045 62.300 -0.221 0.000 1.081 203 V CB -1.148 30.707 31.823 0.053 0.000 0.686 203 V HN 0.518 nan 8.190 nan 0.000 0.468 204 Q N 0.938 120.401 119.800 -0.562 0.000 2.119 204 Q HA -0.022 4.319 4.340 0.001 0.000 0.201 204 Q C 2.533 178.407 176.000 -0.211 0.000 0.972 204 Q CA 1.761 57.186 55.803 -0.631 0.000 0.847 204 Q CB -0.423 27.755 28.738 -0.933 0.000 0.903 204 Q HN 0.764 nan 8.270 nan 0.000 0.433 205 A N 0.572 123.240 122.820 -0.253 0.000 1.877 205 A HA -0.144 4.177 4.320 0.001 0.000 0.216 205 A C 2.371 179.891 177.584 -0.107 0.000 1.186 205 A CA 1.369 53.321 52.037 -0.141 0.000 0.620 205 A CB -0.830 18.094 19.000 -0.126 0.000 0.822 205 A HN 0.198 nan 8.150 nan 0.000 0.443 206 V N 0.100 119.856 119.914 -0.264 0.000 2.282 206 V HA -0.247 3.874 4.120 0.001 0.000 0.249 206 V C 2.830 179.057 176.094 0.221 0.000 1.057 206 V CA 2.160 64.427 62.300 -0.055 0.000 1.032 206 V CB -1.573 30.150 31.823 -0.167 0.000 0.645 206 V HN 0.627 nan 8.190 nan 0.000 0.447 207 G N -0.406 108.512 108.800 0.196 0.000 2.446 207 G HA2 -0.337 3.624 3.960 0.001 0.000 0.217 207 G HA3 -0.337 3.624 3.960 0.001 0.000 0.217 207 G C 1.633 176.661 174.900 0.213 0.000 1.168 207 G CA 1.171 46.435 45.100 0.273 0.000 0.771 207 G HN 0.540 nan 8.290 nan 0.000 0.551 208 K N 0.393 120.892 120.400 0.164 0.000 2.057 208 K HA 0.036 4.356 4.320 0.001 0.000 0.206 208 K C 2.606 179.231 176.600 0.042 0.000 1.050 208 K CA 1.401 57.744 56.287 0.093 0.000 0.935 208 K CB -0.701 31.839 32.500 0.066 0.000 0.715 208 K HN 0.189 nan 8.250 nan 0.000 0.439 209 G N 0.855 109.703 108.800 0.080 0.000 2.505 209 G HA2 -0.307 3.654 3.960 0.001 0.000 0.220 209 G HA3 -0.307 3.654 3.960 0.001 0.000 0.220 209 G C 0.702 175.419 174.900 -0.306 0.000 1.145 209 G CA 1.135 46.265 45.100 0.050 0.000 0.761 209 G HN 0.454 nan 8.290 nan 0.000 0.571 213 A N 0.062 122.704 122.820 -0.298 0.000 1.898 213 A HA -0.059 4.262 4.320 0.001 0.000 0.214 213 A C 1.967 179.550 177.584 -0.002 0.000 1.183 213 A CA 1.437 53.313 52.037 -0.269 0.000 0.622 213 A CB -0.488 18.022 19.000 -0.817 0.000 0.824 213 A HN 0.296 nan 8.150 nan 0.000 0.444 214 Y N -0.091 120.031 120.300 -0.296 0.000 2.343 214 Y HA 0.111 4.661 4.550 0.001 0.000 0.294 214 Y C 1.974 177.759 175.900 -0.193 0.000 1.122 214 Y CA 0.292 58.268 58.100 -0.206 0.000 1.173 214 Y CB 0.043 38.213 38.460 -0.483 0.000 1.077 214 Y HN 0.155 nan 8.280 nan 0.000 0.542 215 I N 1.405 121.791 120.570 -0.307 0.000 2.208 215 I HA -0.195 3.976 4.170 0.001 0.000 0.245 215 I C -0.565 175.408 176.117 -0.239 0.000 1.097 215 I CA 1.383 62.503 61.300 -0.299 0.000 1.363 215 I CB -2.481 35.411 38.000 -0.179 0.000 1.051 215 I HN 0.192 nan 8.210 nan 0.000 0.413 216 P HA -0.109 nan 4.420 nan 0.000 0.216 216 P C 2.180 179.406 177.300 -0.123 0.000 1.153 216 P CA 1.368 64.400 63.100 -0.113 0.000 0.848 216 P CB 0.040 31.698 31.700 -0.069 0.000 0.787 217 I N -1.169 119.312 120.570 -0.147 0.000 2.163 217 I HA -0.226 3.945 4.170 0.001 0.000 0.243 217 I C 2.198 178.194 176.117 -0.202 0.000 1.085 217 I CA 1.392 62.607 61.300 -0.142 0.000 1.347 217 I CB -0.827 37.107 38.000 -0.110 0.000 1.044 217 I HN -0.174 nan 8.210 nan 0.000 0.408 218 V N 1.165 120.863 119.914 -0.360 0.000 2.287 218 V HA -0.338 3.783 4.120 0.001 0.000 0.248 218 V C 2.334 178.330 176.094 -0.162 0.000 1.053 218 V CA 2.365 64.480 62.300 -0.309 0.000 1.027 218 V CB -0.992 30.578 31.823 -0.422 0.000 0.646 218 V HN 0.573 nan 8.190 nan 0.000 0.447 219 N N 0.277 118.888 118.700 -0.147 0.000 2.149 219 N HA -0.245 4.496 4.740 0.001 0.000 0.188 219 N C 2.141 177.614 175.510 -0.061 0.000 1.019 219 N CA 1.774 54.772 53.050 -0.087 0.000 0.857 219 N CB -0.094 38.346 38.487 -0.078 0.000 0.997 219 N HN 0.438 nan 8.380 nan 0.000 0.426 220 R N -0.015 120.446 120.500 -0.065 0.000 2.090 220 R HA 0.052 4.393 4.340 0.001 0.000 0.228 220 R C 1.535 177.816 176.300 -0.031 0.000 1.110 220 R CA 0.824 56.900 56.100 -0.041 0.000 0.973 220 R CB 0.177 30.455 30.300 -0.036 0.000 0.869 220 R HN 0.149 nan 8.270 nan 0.000 0.440 221 R N 0.511 120.990 120.500 -0.034 0.000 2.254 221 R HA 0.021 4.361 4.340 0.001 0.000 0.193 221 R C 1.882 178.190 176.300 0.014 0.000 0.929 221 R CA 0.636 56.733 56.100 -0.004 0.000 1.038 221 R CB -0.118 30.193 30.300 0.019 0.000 1.009 221 R HN 0.339 nan 8.270 nan 0.000 0.512 222 K N 0.819 121.214 120.400 -0.008 0.000 2.113 222 K HA -0.153 4.168 4.320 0.001 0.000 0.208 222 K C 0.639 177.265 176.600 0.044 0.000 1.047 222 K CA 2.032 58.323 56.287 0.007 0.000 0.928 222 K CB -0.345 32.147 32.500 -0.013 0.000 0.716 222 K HN 0.128 nan 8.250 nan 0.000 0.446 223 N N 0.704 119.425 118.700 0.034 0.000 2.314 223 N HA 0.029 4.769 4.740 0.001 0.000 0.200 223 N C -0.858 174.682 175.510 0.051 0.000 1.135 223 N CA -0.031 53.048 53.050 0.048 0.000 0.835 223 N CB 0.682 39.183 38.487 0.023 0.000 0.989 223 N HN 0.123 nan 8.380 nan 0.000 0.478 224 T N 2.744 117.327 114.554 0.047 0.000 2.867 224 T HA 0.081 4.431 4.350 0.001 0.000 0.297 224 T C -2.281 172.492 174.700 0.122 0.000 0.989 224 T CA -0.865 61.234 62.100 -0.003 0.000 1.159 224 T CB 0.655 69.438 68.868 -0.141 0.000 0.928 224 T HN 0.017 nan 8.240 nan 0.000 0.538 225 P HA 0.259 nan 4.420 nan 0.000 0.269 225 P C -1.013 176.442 177.300 0.257 0.000 1.215 225 P CA -0.221 62.941 63.100 0.104 0.000 0.780 225 P CB 0.191 31.893 31.700 0.002 0.000 0.898 226 Y N -1.854 118.500 120.300 0.089 0.000 2.609 226 Y HA 0.709 5.259 4.550 0.001 0.000 0.336 226 Y C -0.605 175.324 175.900 0.048 0.000 1.129 226 Y CA -1.141 57.029 58.100 0.117 0.000 1.040 226 Y CB 0.594 39.134 38.460 0.133 0.000 1.310 226 Y HN 0.465 nan 8.280 nan 0.000 0.460 227 T N -1.675 112.944 114.554 0.108 0.000 2.948 227 T HA 0.351 4.702 4.350 0.001 0.000 0.285 227 T C 0.406 175.164 174.700 0.097 0.000 1.019 227 T CA -0.590 61.522 62.100 0.020 0.000 1.013 227 T CB 1.736 70.629 68.868 0.042 0.000 1.117 227 T HN 0.764 nan 8.240 nan 0.000 0.533 228 E N 0.162 120.394 120.200 0.052 0.000 2.204 228 E HA -0.109 4.242 4.350 0.001 0.000 0.194 228 E C 2.041 178.715 176.600 0.123 0.000 0.989 228 E CA 1.059 57.510 56.400 0.085 0.000 0.824 228 E CB -0.106 29.621 29.700 0.045 0.000 0.756 228 E HN 0.626 nan 8.360 nan 0.000 0.477 229 Q N 0.495 120.369 119.800 0.123 0.000 2.084 229 Q HA -0.135 4.206 4.340 0.001 0.000 0.202 229 Q C 2.096 178.239 176.000 0.238 0.000 0.978 229 Q CA 1.313 57.214 55.803 0.163 0.000 0.844 229 Q CB -0.189 28.626 28.738 0.128 0.000 0.898 229 Q HN 0.332 nan 8.270 nan 0.000 0.426 230 Q N -0.616 119.323 119.800 0.232 0.000 2.079 230 Q HA -0.089 4.252 4.340 0.001 0.000 0.200 230 Q C 2.087 178.283 176.000 0.327 0.000 0.974 230 Q CA 1.343 57.348 55.803 0.338 0.000 0.840 230 Q CB -0.016 28.820 28.738 0.163 0.000 0.898 230 Q HN 0.217 nan 8.270 nan 0.000 0.430 231 V N 1.231 121.273 119.914 0.213 0.000 2.407 231 V HA -0.283 3.838 4.120 0.001 0.000 0.248 231 V C 2.150 178.253 176.094 0.016 0.000 1.055 231 V CA 2.056 64.400 62.300 0.073 0.000 1.049 231 V CB -0.515 31.369 31.823 0.100 0.000 0.662 231 V HN 0.417 nan 8.190 nan 0.000 0.455 232 E N -0.209 120.058 120.200 0.112 0.000 2.051 232 E HA -0.274 4.077 4.350 0.001 0.000 0.192 232 E C 2.106 178.846 176.600 0.233 0.000 0.991 232 E CA 1.682 58.156 56.400 0.124 0.000 0.799 232 E CB -0.247 29.587 29.700 0.224 0.000 0.748 232 E HN 0.557 nan 8.360 nan 0.000 0.449 233 F N 1.909 121.984 119.950 0.208 0.000 2.095 233 F HA -0.241 4.287 4.527 0.001 0.000 0.298 233 F C 2.439 178.241 175.800 0.003 0.000 1.104 233 F CA 2.212 60.350 58.000 0.231 0.000 1.232 233 F CB -0.541 38.609 39.000 0.251 0.000 0.987 233 F HN 0.084 nan 8.300 nan 0.000 0.475 234 Q N 0.327 119.973 119.800 -0.258 0.000 2.077 234 Q HA -0.285 4.056 4.340 0.001 0.000 0.206 234 Q C 2.096 177.695 176.000 -0.669 0.000 0.989 234 Q CA 2.412 57.811 55.803 -0.674 0.000 0.853 234 Q CB -0.344 28.015 28.738 -0.631 0.000 0.907 234 Q HN 0.642 nan 8.270 nan 0.000 0.418 235 E N -0.685 119.209 120.200 -0.511 0.000 2.106 235 E HA -0.140 4.211 4.350 0.001 0.000 0.192 235 E C 1.788 177.941 176.600 -0.746 0.000 0.984 235 E CA 0.901 56.950 56.400 -0.585 0.000 0.806 235 E CB -0.085 29.300 29.700 -0.526 0.000 0.750 235 E HN 0.352 nan 8.360 nan 0.000 0.458 236 F N 0.912 120.409 119.950 -0.754 0.000 2.134 236 F HA -0.132 4.396 4.527 0.002 0.000 0.299 236 F C 2.412 177.672 175.800 -0.900 0.000 1.097 236 F CA 0.942 58.293 58.000 -1.082 0.000 1.264 236 F CB -0.011 37.867 39.000 -1.870 0.000 1.001 236 F HN -0.126 nan 8.300 nan 0.000 0.479 237 R N 0.273 120.424 120.500 -0.582 0.000 2.115 237 R HA -0.047 4.293 4.340 0.001 0.000 0.230 237 R C 2.085 178.257 176.300 -0.213 0.000 1.111 237 R CA 0.909 56.796 56.100 -0.354 0.000 0.976 237 R CB -0.675 29.415 30.300 -0.350 0.000 0.870 237 R HN 0.298 nan 8.270 nan 0.000 0.445 238 R N -0.440 119.853 120.500 -0.345 0.000 2.276 238 R HA 0.019 4.360 4.340 0.001 0.000 0.203 238 R C 2.148 178.235 176.300 -0.354 0.000 1.017 238 R CA 0.695 56.633 56.100 -0.270 0.000 1.010 238 R CB -0.213 29.840 30.300 -0.412 0.000 0.900 238 R HN 0.265 nan 8.270 nan 0.000 0.469 239 G N 1.240 109.630 108.800 -0.683 0.000 2.421 239 G HA2 -0.247 3.714 3.960 0.001 0.000 0.216 239 G HA3 -0.247 3.714 3.960 0.001 0.000 0.216 239 G C 1.364 176.203 174.900 -0.102 0.000 1.171 239 G CA 0.255 44.731 45.100 -1.040 0.000 0.775 239 G HN 0.136 nan 8.290 nan 0.000 0.543 240 R N -0.565 119.920 120.500 -0.026 0.000 2.105 240 R HA -0.088 4.253 4.340 0.001 0.000 0.239 240 R C 2.161 178.576 176.300 0.192 0.000 1.135 240 R CA 1.050 57.235 56.100 0.141 0.000 0.967 240 R CB -1.062 29.294 30.300 0.092 0.000 0.861 240 R HN 0.547 nan 8.270 nan 0.000 0.442 241 Y N 1.243 121.571 120.300 0.047 0.000 2.184 241 Y HA -0.135 4.416 4.550 0.001 0.000 0.290 241 Y C 2.422 178.424 175.900 0.171 0.000 1.129 241 Y CA 1.352 59.512 58.100 0.100 0.000 1.144 241 Y CB -0.433 38.079 38.460 0.087 0.000 0.995 241 Y HN 0.093 nan 8.280 nan 0.000 0.513 242 A N 0.309 123.292 122.820 0.272 0.000 1.859 242 A HA -0.298 4.023 4.320 0.001 0.000 0.217 242 A C 2.099 179.822 177.584 0.233 0.000 1.198 242 A CA 2.201 54.392 52.037 0.257 0.000 0.629 242 A CB -1.039 18.176 19.000 0.358 0.000 0.830 242 A HN 0.609 nan 8.150 nan 0.000 0.446 243 E N -1.567 118.831 120.200 0.331 0.000 2.068 243 E HA -0.279 4.071 4.350 0.001 0.000 0.207 243 E C 1.802 178.489 176.600 0.145 0.000 1.032 243 E CA 1.795 58.358 56.400 0.272 0.000 0.839 243 E CB -0.374 29.545 29.700 0.365 0.000 0.758 243 E HN 0.687 nan 8.360 nan 0.000 0.457 244 F N 2.017 121.961 119.950 -0.011 0.000 2.095 244 F HA -0.238 4.290 4.527 0.001 0.000 0.298 244 F C 1.918 177.647 175.800 -0.119 0.000 1.104 244 F CA 1.743 59.682 58.000 -0.101 0.000 1.232 244 F CB -0.157 38.739 39.000 -0.174 0.000 0.987 244 F HN -0.044 nan 8.300 nan 0.000 0.475 245 N N 0.460 119.144 118.700 -0.027 0.000 2.188 245 N HA -0.118 4.623 4.740 0.001 0.000 0.184 245 N C 1.814 177.238 175.510 -0.144 0.000 1.018 245 N CA 1.608 54.607 53.050 -0.085 0.000 0.858 245 N CB -0.415 38.064 38.487 -0.013 0.000 0.989 245 N HN 0.368 nan 8.380 nan 0.000 0.426 246 L N -0.735 120.433 121.223 -0.092 0.000 2.354 246 L HA 0.105 4.446 4.340 0.001 0.000 0.212 246 L C 1.663 178.452 176.870 -0.136 0.000 1.091 246 L CA 0.304 55.093 54.840 -0.085 0.000 0.828 246 L CB 0.147 42.189 42.059 -0.028 0.000 0.973 246 L HN -0.034 nan 8.230 nan 0.000 0.461 247 V N -0.814 119.007 119.914 -0.156 0.000 2.795 247 V HA 0.003 4.124 4.120 0.001 0.000 0.243 247 V C 1.849 177.789 176.094 -0.257 0.000 1.069 247 V CA 0.871 63.077 62.300 -0.157 0.000 1.089 247 V CB 0.519 32.321 31.823 -0.035 0.000 0.756 247 V HN 0.183 nan 8.190 nan 0.000 0.471 248 I N -0.835 119.455 120.570 -0.466 0.000 3.570 248 I HA 0.215 4.385 4.170 0.001 0.000 0.270 248 I C 0.777 176.442 176.117 -0.754 0.000 1.162 248 I CA 0.137 61.042 61.300 -0.657 0.000 1.413 248 I CB -0.671 36.746 38.000 -0.971 0.000 1.437 248 I HN 0.276 nan 8.210 nan 0.000 0.457 249 D N 2.343 122.158 120.400 -0.975 0.000 2.662 249 D HA -0.145 4.495 4.640 0.001 0.000 0.233 249 D C 1.546 177.681 176.300 -0.276 0.000 1.129 249 D CA 0.481 54.185 54.000 -0.492 0.000 0.851 249 D CB 0.815 41.496 40.800 -0.198 0.000 1.152 249 D HN 0.055 nan 8.370 nan 0.000 0.507 250 R N 2.783 123.201 120.500 -0.136 0.000 2.073 250 R HA -0.061 4.280 4.340 0.001 0.000 0.229 250 R C 2.129 178.282 176.300 -0.244 0.000 1.120 250 R CA 1.377 57.278 56.100 -0.331 0.000 0.967 250 R CB -0.350 29.870 30.300 -0.133 0.000 0.862 250 R HN 0.612 nan 8.270 nan 0.000 0.436 251 G N -0.455 108.368 108.800 0.040 0.000 2.440 251 G HA2 -0.259 3.702 3.960 0.001 0.000 0.218 251 G HA3 -0.259 3.702 3.960 0.001 0.000 0.218 251 G C 1.294 176.235 174.900 0.069 0.000 1.154 251 G CA 1.364 46.540 45.100 0.126 0.000 0.767 251 G HN 0.347 nan 8.290 nan 0.000 0.552 252 T N 0.585 115.142 114.554 0.004 0.000 2.701 252 T HA -0.037 4.314 4.350 0.001 0.000 0.263 252 T C 2.302 176.966 174.700 -0.061 0.000 1.040 252 T CA 1.332 63.421 62.100 -0.019 0.000 1.147 252 T CB -0.163 68.678 68.868 -0.044 0.000 0.865 252 T HN 0.253 nan 8.240 nan 0.000 0.426 253 K N 0.251 120.551 120.400 -0.167 0.000 2.000 253 K HA -0.136 4.185 4.320 0.001 0.000 0.218 253 K C 2.052 178.602 176.600 -0.083 0.000 1.053 253 K CA 1.746 57.903 56.287 -0.217 0.000 0.946 253 K CB -0.433 31.796 32.500 -0.451 0.000 0.723 253 K HN 0.236 nan 8.250 nan 0.000 0.446 254 F N 0.454 120.400 119.950 -0.007 0.000 2.102 254 F HA -0.094 4.433 4.527 0.001 0.000 0.298 254 F C 2.607 178.406 175.800 -0.002 0.000 1.105 254 F CA 1.262 59.259 58.000 -0.005 0.000 1.239 254 F CB -1.497 37.506 39.000 0.005 0.000 0.991 254 F HN 0.180 nan 8.300 nan 0.000 0.474 255 G N 0.524 109.436 108.800 0.186 0.000 2.514 255 G HA2 -0.257 3.704 3.960 0.001 0.000 0.217 255 G HA3 -0.257 3.704 3.960 0.001 0.000 0.217 255 G C 1.822 176.755 174.900 0.056 0.000 1.198 255 G CA 1.195 46.356 45.100 0.103 0.000 0.780 255 G HN 0.349 nan 8.290 nan 0.000 0.565 256 L N 0.867 122.110 121.223 0.033 0.000 2.131 256 L HA -0.096 4.245 4.340 0.001 0.000 0.210 256 L C 3.057 179.935 176.870 0.015 0.000 1.092 256 L CA 1.669 56.513 54.840 0.006 0.000 0.759 256 L CB -0.339 41.712 42.059 -0.013 0.000 0.903 256 L HN 0.541 nan 8.230 nan 0.000 0.435 257 Q N -0.734 119.091 119.800 0.041 0.000 2.408 257 Q HA -0.014 4.327 4.340 0.001 0.000 0.205 257 Q C 1.417 177.445 176.000 0.047 0.000 0.919 257 Q CA 0.866 56.694 55.803 0.042 0.000 0.932 257 Q CB 0.172 28.945 28.738 0.058 0.000 1.058 257 Q HN 0.375 nan 8.270 nan 0.000 0.517 258 S N -0.996 114.737 115.700 0.056 0.000 2.601 258 S HA 0.491 4.962 4.470 0.001 0.000 0.244 258 S C 1.084 175.702 174.600 0.029 0.000 1.001 258 S CA -0.024 58.198 58.200 0.036 0.000 0.984 258 S CB 0.662 63.881 63.200 0.030 0.000 0.842 258 S HN 0.672 nan 8.310 nan 0.000 0.474 259 G N 0.349 109.161 108.800 0.021 0.000 2.132 259 G HA2 -0.114 3.846 3.960 0.001 0.000 0.234 259 G HA3 -0.114 3.846 3.960 0.001 0.000 0.234 259 G C 0.541 175.442 174.900 0.002 0.000 0.989 259 G CA -0.245 44.862 45.100 0.011 0.000 0.676 259 G HN 1.088 nan 8.290 nan 0.000 0.522 260 G N -0.783 108.018 108.800 0.002 0.000 2.684 260 G HA2 0.424 4.385 3.960 0.001 0.000 0.255 260 G HA3 0.424 4.385 3.960 0.001 0.000 0.255 260 G C 0.289 175.118 174.900 -0.119 0.000 1.219 260 G CA -0.034 45.047 45.100 -0.032 0.000 0.901 260 G HN 0.600 nan 8.290 nan 0.000 0.548 261 R N 0.057 120.404 120.500 -0.256 0.000 2.248 261 R HA 0.209 4.550 4.340 0.001 0.000 0.337 261 R C 1.490 177.641 176.300 -0.248 0.000 1.106 261 R CA -0.007 55.871 56.100 -0.370 0.000 0.959 261 R CB -0.097 29.697 30.300 -0.843 0.000 1.075 261 R HN 0.561 nan 8.270 nan 0.000 0.480 262 T N 2.775 117.235 114.554 -0.156 0.000 2.570 262 T HA -0.196 4.155 4.350 0.001 0.000 0.266 262 T C 1.242 175.892 174.700 -0.083 0.000 1.071 262 T CA 1.449 63.494 62.100 -0.093 0.000 1.172 262 T CB -0.021 68.808 68.868 -0.065 0.000 0.864 262 T HN 0.593 nan 8.240 nan 0.000 0.421 263 E N 0.890 121.033 120.200 -0.094 0.000 2.160 263 E HA -0.065 4.285 4.350 0.001 0.000 0.195 263 E C 2.609 179.184 176.600 -0.042 0.000 0.991 263 E CA 0.785 57.152 56.400 -0.054 0.000 0.810 263 E CB -0.408 29.262 29.700 -0.051 0.000 0.742 263 E HN 0.381 nan 8.360 nan 0.000 0.466 264 S N 0.793 116.431 115.700 -0.104 0.000 2.355 264 S HA -0.069 4.402 4.470 0.001 0.000 0.222 264 S C 2.112 176.717 174.600 0.008 0.000 1.031 264 S CA 0.659 58.827 58.200 -0.053 0.000 0.993 264 S CB -0.160 62.943 63.200 -0.162 0.000 0.859 264 S HN 0.211 nan 8.310 nan 0.000 0.453 265 I N 1.143 121.702 120.570 -0.019 0.000 2.286 265 I HA -0.128 4.043 4.170 0.001 0.000 0.248 265 I C 1.067 177.215 176.117 0.052 0.000 1.115 265 I CA 1.141 62.457 61.300 0.027 0.000 1.392 265 I CB -0.166 37.839 38.000 0.008 0.000 1.065 265 I HN 0.208 nan 8.210 nan 0.000 0.418 266 L N 0.902 122.149 121.223 0.040 0.000 2.791 266 L HA 0.149 4.490 4.340 0.001 0.000 0.239 266 L C 1.929 178.854 176.870 0.091 0.000 1.203 266 L CA -0.177 54.701 54.840 0.062 0.000 1.002 266 L CB -0.169 41.913 42.059 0.039 0.000 1.295 266 L HN 0.257 nan 8.230 nan 0.000 0.504 267 I N -2.746 117.885 120.570 0.102 0.000 2.567 267 I HA -0.197 3.974 4.170 0.001 0.000 0.257 267 I C 2.531 178.755 176.117 0.179 0.000 1.184 267 I CA 1.435 62.814 61.300 0.131 0.000 1.451 267 I CB -0.476 37.606 38.000 0.137 0.000 1.089 267 I HN 0.291 nan 8.210 nan 0.000 0.441 268 S N 1.288 117.101 115.700 0.188 0.000 2.469 268 S HA 0.048 4.519 4.470 0.001 0.000 0.238 268 S C 0.914 175.773 174.600 0.431 0.000 0.998 268 S CA 0.236 58.597 58.200 0.269 0.000 0.957 268 S CB -0.862 62.460 63.200 0.203 0.000 0.764 268 S HN 0.475 nan 8.310 nan 0.000 0.514 269 L N 3.008 124.411 121.223 0.299 0.000 2.371 269 L HA 0.405 4.746 4.340 0.001 0.000 0.272 269 L C -2.080 174.892 176.870 0.169 0.000 1.124 269 L CA -2.488 52.506 54.840 0.257 0.000 0.816 269 L CB 0.662 42.807 42.059 0.144 0.000 1.129 269 L HN 0.096 nan 8.230 nan 0.000 0.448 270 P HA 0.150 nan 4.420 nan 0.000 0.274 270 P C -2.300 174.868 177.300 -0.220 0.000 1.237 270 P CA -1.450 61.372 63.100 -0.463 0.000 0.793 270 P CB 0.314 31.676 31.700 -0.563 0.000 0.977 271 P HA -0.044 nan 4.420 nan 0.000 0.216 271 P C 0.106 177.315 177.300 -0.150 0.000 1.153 271 P CA 1.557 64.578 63.100 -0.131 0.000 0.848 271 P CB 0.353 31.985 31.700 -0.114 0.000 0.787 272 R N -0.656 119.711 120.500 -0.222 0.000 2.686 272 R HA 0.770 5.110 4.340 0.001 0.000 0.283 272 R C -0.905 175.187 176.300 -0.346 0.000 0.978 272 R CA -0.721 55.236 56.100 -0.237 0.000 0.897 272 R CB 2.558 32.727 30.300 -0.219 0.000 1.192 272 R HN -0.019 nan 8.270 nan 0.000 0.457 273 A N 2.325 124.918 122.820 -0.379 0.000 2.479 273 A HA 0.821 5.142 4.320 0.001 0.000 0.296 273 A C -0.965 176.193 177.584 -0.710 0.000 1.121 273 A CA -0.875 50.795 52.037 -0.612 0.000 0.743 273 A CB 1.732 20.304 19.000 -0.713 0.000 1.323 273 A HN 0.700 nan 8.150 nan 0.000 0.415 274 R N 0.042 119.927 120.500 -1.025 0.000 2.725 274 R HA 0.532 4.873 4.340 0.001 0.000 0.277 274 R C -1.750 173.966 176.300 -0.972 0.000 0.987 274 R CA -0.520 54.972 56.100 -1.015 0.000 0.901 274 R CB 1.933 31.220 30.300 -1.688 0.000 1.207 274 R HN 0.752 nan 8.270 nan 0.000 0.463 275 W N 0.531 121.680 121.300 -0.252 0.000 2.915 275 W HA 0.612 5.273 4.660 0.001 0.000 0.337 275 W C -0.316 176.311 176.519 0.181 0.000 1.102 275 W CA -0.879 56.472 57.345 0.010 0.000 1.224 275 W CB 2.492 31.968 29.460 0.027 0.000 1.416 275 W HN 0.772 nan 8.180 nan 0.000 0.503 276 G N 1.266 110.388 108.800 0.537 0.000 2.667 276 G HA2 0.411 4.372 3.960 0.001 0.000 0.298 276 G HA3 0.411 4.372 3.960 0.001 0.000 0.298 276 G C -2.253 172.905 174.900 0.430 0.000 1.377 276 G CA -0.798 44.589 45.100 0.479 0.000 0.964 276 G HN 0.355 nan 8.290 nan 0.000 0.493 277 Y N 2.114 122.566 120.300 0.254 0.000 2.569 277 Y HA 0.186 4.737 4.550 0.001 0.000 0.332 277 Y C 1.051 177.063 175.900 0.187 0.000 1.120 277 Y CA 0.270 58.486 58.100 0.194 0.000 1.416 277 Y CB 0.418 38.955 38.460 0.129 0.000 1.210 277 Y HN 0.676 nan 8.280 nan 0.000 0.528 278 N N 3.613 121.970 118.700 -0.572 0.000 2.725 278 N HA -0.298 4.442 4.740 0.001 0.000 0.249 278 N C -1.288 174.151 175.510 -0.119 0.000 1.103 278 N CA 1.063 53.851 53.050 -0.438 0.000 0.707 278 N CB -1.425 36.644 38.487 -0.697 0.000 1.043 278 N HN 0.804 nan 8.380 nan 0.000 0.553 279 W N 2.015 123.244 121.300 -0.118 0.000 2.308 279 W HA 0.266 4.927 4.660 0.002 0.000 0.324 279 W C 0.486 176.936 176.519 -0.115 0.000 1.387 279 W CA -0.061 57.202 57.345 -0.138 0.000 1.250 279 W CB 0.248 29.607 29.460 -0.168 0.000 1.257 279 W HN 0.230 nan 8.180 nan 0.000 0.554 280 Q N 7.415 126.592 119.800 -1.039 0.000 2.379 280 Q HA 0.537 4.878 4.340 0.001 0.000 0.278 280 Q C -2.671 172.590 176.000 -1.232 0.000 1.068 280 Q CA -2.201 52.973 55.803 -1.048 0.000 0.816 280 Q CB 2.195 30.659 28.738 -0.457 0.000 1.387 280 Q HN 0.238 nan 8.270 nan 0.000 0.413 281 P HA -0.005 nan 4.420 nan 0.000 0.268 281 P C -0.570 176.536 177.300 -0.324 0.000 1.208 281 P CA 0.049 62.845 63.100 -0.507 0.000 0.777 281 P CB 0.535 32.106 31.700 -0.215 0.000 0.875 282 E N 2.716 122.789 120.200 -0.212 0.000 2.415 282 E HA 0.078 4.429 4.350 0.001 0.000 0.263 282 E C -1.838 174.698 176.600 -0.106 0.000 0.995 282 E CA -1.320 54.997 56.400 -0.139 0.000 0.915 282 E CB -0.478 29.172 29.700 -0.084 0.000 0.951 282 E HN 0.371 nan 8.360 nan 0.000 0.449 283 P HA 0.033 nan 4.420 nan 0.000 0.271 283 P C 0.698 177.975 177.300 -0.039 0.000 1.218 283 P CA 0.326 63.391 63.100 -0.058 0.000 0.780 283 P CB 0.736 32.405 31.700 -0.051 0.000 0.901 284 G N 1.252 110.038 108.800 -0.023 0.000 2.176 284 G HA2 -0.200 3.761 3.960 0.001 0.000 0.253 284 G HA3 -0.200 3.761 3.960 0.001 0.000 0.253 284 G C 0.294 175.190 174.900 -0.007 0.000 0.979 284 G CA 0.436 45.528 45.100 -0.013 0.000 0.641 284 G HN 0.893 nan 8.290 nan 0.000 0.530 285 T N -1.945 112.601 114.554 -0.014 0.000 2.927 285 T HA 0.656 5.007 4.350 0.001 0.000 0.281 285 T C -1.091 173.619 174.700 0.017 0.000 0.998 285 T CA -1.095 61.000 62.100 -0.008 0.000 1.019 285 T CB 2.354 71.201 68.868 -0.035 0.000 1.061 285 T HN -0.103 nan 8.240 nan 0.000 0.518 286 P HA -0.032 nan 4.420 nan 0.000 0.221 286 P C 1.024 178.372 177.300 0.079 0.000 1.145 286 P CA 0.838 64.010 63.100 0.120 0.000 0.795 286 P CB 0.093 31.882 31.700 0.149 0.000 0.775 287 E N -0.226 119.914 120.200 -0.101 0.000 2.046 287 E HA -0.079 4.272 4.350 0.001 0.000 0.190 287 E C 2.188 178.643 176.600 -0.242 0.000 0.982 287 E CA 1.423 57.497 56.400 -0.543 0.000 0.800 287 E CB -1.155 28.110 29.700 -0.724 0.000 0.756 287 E HN 0.117 nan 8.360 nan 0.000 0.449 288 A N 0.758 123.522 122.820 -0.094 0.000 1.972 288 A HA -0.187 4.134 4.320 0.001 0.000 0.219 288 A C 2.108 179.749 177.584 0.095 0.000 1.169 288 A CA 1.644 53.677 52.037 -0.006 0.000 0.635 288 A CB -0.474 18.509 19.000 -0.027 0.000 0.810 288 A HN 0.112 nan 8.150 nan 0.000 0.446 289 R N -0.780 119.802 120.500 0.138 0.000 2.159 289 R HA -0.151 4.189 4.340 0.001 0.000 0.237 289 R C 1.904 178.464 176.300 0.432 0.000 1.131 289 R CA 1.449 57.708 56.100 0.265 0.000 0.982 289 R CB -0.464 30.020 30.300 0.308 0.000 0.868 289 R HN 0.457 nan 8.270 nan 0.000 0.453 290 L N 0.260 121.701 121.223 0.364 0.000 2.012 290 L HA -0.201 4.140 4.340 0.001 0.000 0.210 290 L C 2.103 179.176 176.870 0.339 0.000 1.073 290 L CA 2.600 57.670 54.840 0.384 0.000 0.748 290 L CB -0.691 41.531 42.059 0.272 0.000 0.891 290 L HN 0.414 nan 8.230 nan 0.000 0.431 291 T N -4.363 110.340 114.554 0.249 0.000 2.976 291 T HA -0.020 4.331 4.350 0.001 0.000 0.257 291 T C 1.660 176.458 174.700 0.163 0.000 1.051 291 T CA 0.777 62.989 62.100 0.185 0.000 1.141 291 T CB -0.435 68.518 68.868 0.140 0.000 0.881 291 T HN 0.422 nan 8.240 nan 0.000 0.461 292 E N -0.183 120.116 120.200 0.166 0.000 2.150 292 E HA -0.047 4.303 4.350 0.001 0.000 0.193 292 E C 1.523 178.239 176.600 0.194 0.000 0.985 292 E CA 1.147 57.634 56.400 0.144 0.000 0.814 292 E CB -0.043 29.726 29.700 0.115 0.000 0.752 292 E HN 0.646 nan 8.360 nan 0.000 0.466 293 Y N -1.081 119.262 120.300 0.073 0.000 3.183 293 Y HA 0.091 4.641 4.550 0.001 0.000 0.200 293 Y C 1.599 177.518 175.900 0.032 0.000 0.912 293 Y CA -0.084 58.001 58.100 -0.025 0.000 1.642 293 Y CB -0.521 37.840 38.460 -0.163 0.000 1.447 293 Y HN -0.172 nan 8.280 nan 0.000 0.421 294 F N 1.306 121.245 119.950 -0.018 0.000 2.063 294 F HA -0.283 4.245 4.527 0.002 0.000 0.298 294 F C 2.300 178.150 175.800 0.084 0.000 1.109 294 F CA 2.244 60.246 58.000 0.004 0.000 1.212 294 F CB -0.791 38.325 39.000 0.194 0.000 0.973 294 F HN 0.096 nan 8.300 nan 0.000 0.480 295 L N -0.673 120.719 121.223 0.283 0.000 2.217 295 L HA -0.125 4.216 4.340 0.001 0.000 0.211 295 L C 2.166 179.124 176.870 0.147 0.000 1.107 295 L CA 1.624 56.595 54.840 0.219 0.000 0.783 295 L CB -0.921 41.251 42.059 0.188 0.000 0.919 295 L HN 0.281 nan 8.230 nan 0.000 0.442 296 T N -4.237 110.360 114.554 0.071 0.000 3.107 296 T HA -0.018 4.333 4.350 0.001 0.000 0.249 296 T C 1.642 176.281 174.700 -0.101 0.000 1.096 296 T CA -0.054 62.056 62.100 0.017 0.000 1.012 296 T CB 0.263 69.149 68.868 0.031 0.000 0.977 296 T HN 0.157 nan 8.240 nan 0.000 0.527 297 K N 1.327 121.585 120.400 -0.237 0.000 1.984 297 K HA -0.069 4.252 4.320 0.001 0.000 0.209 297 K C 1.482 177.810 176.600 -0.454 0.000 1.046 297 K CA 1.066 57.052 56.287 -0.502 0.000 0.934 297 K CB -0.030 31.855 32.500 -1.025 0.000 0.717 297 K HN 0.185 nan 8.250 nan 0.000 0.438 298 R N -1.455 118.822 120.500 -0.373 0.000 3.986 298 R HA -0.224 4.116 4.340 0.001 0.000 0.379 298 R C 0.029 176.100 176.300 -0.380 0.000 0.669 298 R CA 1.849 57.826 56.100 -0.204 0.000 1.661 298 R CB -1.209 29.045 30.300 -0.077 0.000 2.089 298 R HN 0.293 nan 8.270 nan 0.000 0.432 299 Q N 0.116 119.584 119.800 -0.553 0.000 2.377 299 Q HA 0.159 4.500 4.340 0.001 0.000 0.249 299 Q C -0.134 175.510 176.000 -0.593 0.000 1.005 299 Q CA 0.178 55.741 55.803 -0.400 0.000 0.912 299 Q CB 0.383 28.982 28.738 -0.233 0.000 1.223 299 Q HN 0.322 nan 8.270 nan 0.000 0.459 300 W N 3.117 124.361 121.300 -0.094 0.000 2.777 300 W HA 0.231 4.892 4.660 0.002 0.000 0.260 300 W C 0.470 177.011 176.519 0.036 0.000 1.194 300 W CA 0.159 57.465 57.345 -0.065 0.000 1.447 300 W CB 0.681 30.010 29.460 -0.220 0.000 1.009 300 W HN 0.473 nan 8.180 nan 0.000 0.613 301 V N 0.000 120.074 119.914 0.266 0.000 2.409 301 V HA 0.000 4.121 4.120 0.001 0.000 0.244 301 V CA 0.000 62.408 62.300 0.180 0.000 1.235 301 V CB 0.000 31.884 31.823 0.103 0.000 1.184 301 V HN 0.000 nan 8.190 nan 0.000 0.556