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 2qt8_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 0.000 175.306 175.328 -0.037 0.000 0.993 -2 H CA 0.000 56.031 56.048 -0.028 0.000 1.023 -2 H CB 0.000 29.738 29.762 -0.041 0.000 1.292 -1 H N 3.324 122.177 119.070 -0.361 0.000 2.293 -1 H HA -0.098 4.459 4.556 0.001 0.000 0.300 -1 H C 0.859 176.127 175.328 -0.100 0.000 1.082 -1 H CA 2.083 58.006 56.048 -0.208 0.000 1.308 -1 H CB 0.134 29.753 29.762 -0.239 0.000 1.375 -1 H HN 0.834 nan 8.280 nan 0.000 0.495 3 L N 2.691 123.732 121.223 -0.303 0.000 2.012 3 L HA 0.161 4.502 4.340 0.001 0.000 0.210 3 L C 2.459 179.201 176.870 -0.212 0.000 1.073 3 L CA 2.350 57.036 54.840 -0.256 0.000 0.748 3 L CB -0.648 41.244 42.059 -0.278 0.000 0.891 3 L HN 0.485 nan 8.230 nan 0.000 0.431 4 A N -0.507 122.142 122.820 -0.285 0.000 1.877 4 A HA -0.158 4.162 4.320 0.001 0.000 0.216 4 A C 2.223 179.645 177.584 -0.270 0.000 1.186 4 A CA 1.918 53.766 52.037 -0.316 0.000 0.620 4 A CB -1.137 17.424 19.000 -0.733 0.000 0.822 4 A HN 0.349 nan 8.150 nan 0.000 0.443 5 V N 0.129 119.858 119.914 -0.308 0.000 2.392 5 V HA -0.294 3.827 4.120 0.001 0.000 0.249 5 V C 2.523 178.505 176.094 -0.187 0.000 1.059 5 V CA 2.384 64.547 62.300 -0.229 0.000 1.051 5 V CB -0.681 30.995 31.823 -0.244 0.000 0.658 5 V HN 0.730 nan 8.190 nan 0.000 0.455 6 E N -0.145 119.954 120.200 -0.168 0.000 2.106 6 E HA -0.204 4.146 4.350 0.001 0.000 0.192 6 E C 2.290 178.853 176.600 -0.063 0.000 0.984 6 E CA 1.190 57.520 56.400 -0.117 0.000 0.806 6 E CB -0.167 29.470 29.700 -0.104 0.000 0.750 6 E HN 0.589 nan 8.360 nan 0.000 0.458 7 A N 0.469 123.254 122.820 -0.058 0.000 1.933 7 A HA -0.149 4.172 4.320 0.001 0.000 0.218 7 A C 2.363 179.983 177.584 0.060 0.000 1.175 7 A CA 1.377 53.440 52.037 0.043 0.000 0.628 7 A CB -0.566 18.493 19.000 0.099 0.000 0.814 7 A HN 0.206 nan 8.150 nan 0.000 0.444 8 V N 0.121 119.910 119.914 -0.208 0.000 2.307 8 V HA -0.261 3.860 4.120 0.001 0.000 0.245 8 V C 2.508 178.709 176.094 0.179 0.000 1.045 8 V CA 2.344 64.567 62.300 -0.129 0.000 1.024 8 V CB -0.680 31.028 31.823 -0.192 0.000 0.651 8 V HN 0.694 nan 8.190 nan 0.000 0.449 9 K N 0.053 120.480 120.400 0.045 0.000 2.032 9 K HA -0.255 4.066 4.320 0.001 0.000 0.209 9 K C 1.900 178.533 176.600 0.055 0.000 1.048 9 K CA 2.118 58.442 56.287 0.060 0.000 0.927 9 K CB -0.289 32.169 32.500 -0.070 0.000 0.712 9 K HN 0.439 nan 8.250 nan 0.000 0.441 10 D N 0.117 120.552 120.400 0.059 0.000 2.104 10 D HA -0.194 4.447 4.640 0.001 0.000 0.194 10 D C 1.674 178.039 176.300 0.108 0.000 0.994 10 D CA 1.097 55.127 54.000 0.050 0.000 0.830 10 D CB -0.364 40.482 40.800 0.078 0.000 0.959 10 D HN 0.264 nan 8.370 nan 0.000 0.452 11 F N 1.455 121.485 119.950 0.134 0.000 2.126 11 F HA -0.147 4.380 4.527 0.001 0.000 0.299 11 F C 2.075 177.947 175.800 0.120 0.000 1.096 11 F CA 1.175 59.277 58.000 0.171 0.000 1.255 11 F CB -0.474 38.747 39.000 0.369 0.000 0.997 11 F HN -0.107 nan 8.300 nan 0.000 0.479 12 L N -0.157 120.954 121.223 -0.186 0.000 2.056 12 L HA -0.218 4.122 4.340 0.001 0.000 0.207 12 L C 2.571 179.281 176.870 -0.267 0.000 1.078 12 L CA 1.221 55.909 54.840 -0.253 0.000 0.749 12 L CB -0.815 41.385 42.059 0.235 0.000 0.901 12 L HN 0.233 nan 8.230 nan 0.000 0.433 13 L N -0.110 120.907 121.223 -0.344 0.000 2.046 13 L HA -0.252 4.088 4.340 0.001 0.000 0.208 13 L C 2.701 179.395 176.870 -0.294 0.000 1.077 13 L CA 1.463 56.017 54.840 -0.478 0.000 0.747 13 L CB -0.488 41.270 42.059 -0.502 0.000 0.896 13 L HN 0.256 nan 8.230 nan 0.000 0.432 14 K N 0.225 120.489 120.400 -0.227 0.000 2.097 14 K HA -0.202 4.119 4.320 0.001 0.000 0.205 14 K C 2.171 178.656 176.600 -0.191 0.000 1.050 14 K CA 1.011 57.202 56.287 -0.161 0.000 0.938 14 K CB -0.028 32.426 32.500 -0.077 0.000 0.718 14 K HN 0.062 nan 8.250 nan 0.000 0.442 15 L N 1.898 122.925 121.223 -0.328 0.000 2.012 15 L HA -0.216 4.125 4.340 0.001 0.000 0.210 15 L C 2.500 179.254 176.870 -0.193 0.000 1.073 15 L CA 1.815 56.466 54.840 -0.315 0.000 0.748 15 L CB -0.636 41.068 42.059 -0.591 0.000 0.891 15 L HN 0.324 nan 8.230 nan 0.000 0.431 16 Q N -0.837 118.847 119.800 -0.194 0.000 2.061 16 Q HA -0.261 4.080 4.340 0.001 0.000 0.204 16 Q C 1.799 177.697 176.000 -0.171 0.000 0.984 16 Q CA 2.204 57.913 55.803 -0.158 0.000 0.846 16 Q CB -0.113 28.548 28.738 -0.128 0.000 0.902 16 Q HN 0.559 nan 8.270 nan 0.000 0.421 17 D N 0.544 120.850 120.400 -0.157 0.000 2.104 17 D HA -0.160 4.481 4.640 0.001 0.000 0.194 17 D C 1.524 177.769 176.300 -0.093 0.000 0.994 17 D CA 1.422 55.348 54.000 -0.123 0.000 0.830 17 D CB -0.324 40.414 40.800 -0.103 0.000 0.959 17 D HN 0.326 nan 8.370 nan 0.000 0.452 18 D N -0.060 120.292 120.400 -0.080 0.000 2.117 18 D HA -0.041 4.600 4.640 0.001 0.000 0.198 18 D C 2.325 178.611 176.300 -0.024 0.000 0.982 18 D CA 0.316 54.291 54.000 -0.042 0.000 0.828 18 D CB -0.191 40.591 40.800 -0.031 0.000 0.967 18 D HN 0.263 nan 8.370 nan 0.000 0.464 19 I N 0.439 120.989 120.570 -0.033 0.000 2.202 19 I HA -0.272 3.899 4.170 0.001 0.000 0.242 19 I C 2.403 178.513 176.117 -0.012 0.000 1.091 19 I CA 0.634 61.944 61.300 0.016 0.000 1.368 19 I CB -0.158 37.865 38.000 0.038 0.000 1.058 19 I HN 0.063 nan 8.210 nan 0.000 0.410 20 C N 0.477 119.679 119.300 -0.163 0.000 2.413 20 C HA -0.188 4.273 4.460 0.001 0.000 0.276 20 C C 2.796 177.828 174.990 0.069 0.000 1.248 20 C CA 1.220 60.079 59.018 -0.265 0.000 1.742 20 C CB -1.043 26.379 27.740 -0.530 0.000 2.017 20 C HN 0.548 nan 8.230 nan 0.000 0.481 21 E N 1.133 121.349 120.200 0.028 0.000 2.058 21 E HA -0.208 4.142 4.350 0.001 0.000 0.194 21 E C 2.203 178.848 176.600 0.074 0.000 0.997 21 E CA 1.480 57.915 56.400 0.058 0.000 0.801 21 E CB -0.227 29.485 29.700 0.020 0.000 0.746 21 E HN 0.569 nan 8.360 nan 0.000 0.450 22 A N 0.963 123.818 122.820 0.059 0.000 1.902 22 A HA -0.146 4.175 4.320 0.001 0.000 0.217 22 A C 2.227 179.860 177.584 0.082 0.000 1.181 22 A CA 1.285 53.353 52.037 0.051 0.000 0.623 22 A CB -0.612 18.406 19.000 0.030 0.000 0.818 22 A HN 0.336 nan 8.150 nan 0.000 0.443 23 L N -1.057 120.261 121.223 0.159 0.000 2.109 23 L HA -0.143 4.197 4.340 0.001 0.000 0.207 23 L C 2.554 179.528 176.870 0.173 0.000 1.086 23 L CA 1.329 56.295 54.840 0.210 0.000 0.760 23 L CB -0.534 41.757 42.059 0.387 0.000 0.910 23 L HN 0.445 nan 8.230 nan 0.000 0.437 24 E N 0.287 120.616 120.200 0.214 0.000 2.110 24 E HA -0.232 4.118 4.350 0.001 0.000 0.193 24 E C 2.301 178.941 176.600 0.067 0.000 0.988 24 E CA 1.180 57.658 56.400 0.130 0.000 0.804 24 E CB -0.152 29.646 29.700 0.164 0.000 0.745 24 E HN 0.496 nan 8.360 nan 0.000 0.458 25 A N 1.398 124.255 122.820 0.062 0.000 1.933 25 A HA -0.205 4.115 4.320 0.001 0.000 0.218 25 A C 1.974 179.568 177.584 0.017 0.000 1.175 25 A CA 1.232 53.288 52.037 0.032 0.000 0.628 25 A CB -0.232 18.782 19.000 0.024 0.000 0.814 25 A HN 0.068 nan 8.150 nan 0.000 0.444 26 E N -0.024 120.186 120.200 0.017 0.000 2.107 26 E HA -0.148 4.202 4.350 0.001 0.000 0.191 26 E C 1.607 178.206 176.600 -0.001 0.000 0.982 26 E CA 1.077 57.475 56.400 -0.004 0.000 0.809 26 E CB -0.330 29.358 29.700 -0.020 0.000 0.756 26 E HN 0.715 nan 8.360 nan 0.000 0.459 27 D N -0.549 119.856 120.400 0.007 0.000 2.085 27 D HA -0.116 4.525 4.640 0.001 0.000 0.199 27 D C 1.392 177.690 176.300 -0.003 0.000 0.981 27 D CA 1.911 55.910 54.000 -0.003 0.000 0.834 27 D CB 0.308 41.096 40.800 -0.020 0.000 0.992 27 D HN 0.269 nan 8.370 nan 0.000 0.457 28 G N 1.035 109.836 108.800 0.001 0.000 2.234 28 G HA2 -0.357 3.604 3.960 0.001 0.000 0.260 28 G HA3 -0.357 3.604 3.960 0.001 0.000 0.260 28 G C 0.938 175.836 174.900 -0.002 0.000 0.987 28 G CA 1.052 46.154 45.100 0.002 0.000 0.625 28 G HN 0.527 nan 8.290 nan 0.000 0.532 29 Q N -0.318 119.477 119.800 -0.009 0.000 2.606 29 Q HA 0.673 5.014 4.340 0.001 0.000 0.215 29 Q C 1.576 177.563 176.000 -0.021 0.000 0.908 29 Q CA 0.897 56.693 55.803 -0.012 0.000 0.908 29 Q CB 0.391 29.122 28.738 -0.012 0.000 1.120 29 Q HN 0.995 nan 8.270 nan 0.000 0.628 30 A N 0.705 123.500 122.820 -0.041 0.000 2.264 30 A HA 0.601 4.922 4.320 0.001 0.000 0.304 30 A C -0.232 177.306 177.584 -0.077 0.000 1.100 30 A CA 0.095 52.093 52.037 -0.066 0.000 0.839 30 A CB 0.940 19.879 19.000 -0.102 0.000 1.121 30 A HN 0.438 nan 8.150 nan 0.000 0.496 31 T N -2.027 112.481 114.554 -0.078 0.000 2.906 31 T HA 0.659 5.009 4.350 0.001 0.000 0.295 31 T C -0.579 174.076 174.700 -0.075 0.000 1.075 31 T CA -0.533 61.545 62.100 -0.037 0.000 1.005 31 T CB 0.696 69.588 68.868 0.039 0.000 1.136 31 T HN 0.270 nan 8.240 nan 0.000 0.498 32 F N 1.041 121.011 119.950 0.034 0.000 2.484 32 F HA 0.451 4.979 4.527 0.001 0.000 0.360 32 F C 0.464 176.287 175.800 0.038 0.000 1.101 32 F CA -0.226 57.798 58.000 0.040 0.000 1.251 32 F CB 0.822 39.847 39.000 0.043 0.000 1.132 32 F HN 0.295 nan 8.300 nan 0.000 0.570 33 V N 3.432 123.472 119.914 0.210 0.000 2.398 33 V HA 0.225 4.345 4.120 0.001 0.000 0.286 33 V C -0.130 176.065 176.094 0.168 0.000 1.026 33 V CA -0.942 61.446 62.300 0.147 0.000 0.868 33 V CB 1.491 33.370 31.823 0.093 0.000 0.982 33 V HN 0.702 nan 8.190 nan 0.000 0.443 34 E N 3.164 123.444 120.200 0.133 0.000 2.197 34 E HA 0.319 4.670 4.350 0.001 0.000 0.281 34 E C -1.266 175.408 176.600 0.123 0.000 0.995 34 E CA -0.568 55.908 56.400 0.126 0.000 0.808 34 E CB 1.219 30.973 29.700 0.090 0.000 1.093 34 E HN 0.690 nan 8.360 nan 0.000 0.394 35 D N 4.232 124.725 120.400 0.156 0.000 2.461 35 D HA 0.192 4.832 4.640 0.001 0.000 0.240 35 D C -1.176 175.268 176.300 0.240 0.000 1.094 35 D CA -0.497 53.610 54.000 0.178 0.000 0.868 35 D CB 0.616 41.524 40.800 0.180 0.000 1.062 35 D HN 0.257 nan 8.370 nan 0.000 0.530 36 K N 3.711 124.213 120.400 0.169 0.000 2.276 36 K HA 0.361 4.682 4.320 0.001 0.000 0.283 36 K C -0.234 176.485 176.600 0.199 0.000 1.044 36 K CA -0.650 55.707 56.287 0.117 0.000 0.944 36 K CB 1.444 33.969 32.500 0.042 0.000 1.012 36 K HN 0.474 nan 8.250 nan 0.000 0.472 37 W N 0.733 122.060 121.300 0.045 0.000 3.031 37 W HA 0.462 5.122 4.660 0.001 0.000 0.337 37 W C -1.293 175.235 176.519 0.015 0.000 1.187 37 W CA -0.885 56.476 57.345 0.027 0.000 1.166 37 W CB 0.668 30.143 29.460 0.025 0.000 1.437 37 W HN 0.240 nan 8.180 nan 0.000 0.551 38 T N 2.561 117.253 114.554 0.230 0.000 2.861 38 T HA 0.395 4.745 4.350 0.001 0.000 0.287 38 T C -0.510 174.323 174.700 0.222 0.000 1.003 38 T CA -0.708 61.420 62.100 0.048 0.000 0.977 38 T CB 2.318 71.190 68.868 0.007 0.000 0.996 38 T HN 0.400 nan 8.240 nan 0.000 0.448 39 R N 1.440 122.005 120.500 0.109 0.000 2.349 39 R HA 0.532 4.873 4.340 0.001 0.000 0.299 39 R C 0.094 176.411 176.300 0.027 0.000 1.027 39 R CA -0.345 55.856 56.100 0.167 0.000 0.958 39 R CB 0.451 30.834 30.300 0.137 0.000 1.047 39 R HN 0.812 nan 8.270 nan 0.000 0.468 40 E N 1.736 121.964 120.200 0.048 0.000 2.104 40 E HA 0.307 4.657 4.350 0.001 0.000 0.278 40 E C 0.876 177.474 176.600 -0.003 0.000 1.127 40 E CA 0.098 56.507 56.400 0.015 0.000 0.897 40 E CB 0.518 nan 29.700 nan 0.000 1.043 40 E HN 0.899 nan 8.360 nan 0.000 0.410 41 G N 1.039 109.816 108.800 -0.039 0.000 2.336 41 G HA2 0.363 4.324 3.960 0.001 0.000 0.194 41 G HA3 0.363 4.324 3.960 0.001 0.000 0.194 41 G C 0.738 175.543 174.900 -0.157 0.000 0.999 41 G CA 0.430 45.501 45.100 -0.049 0.000 0.669 41 G HN 2.180 nan 8.290 nan 0.000 0.482 42 G N -1.021 107.594 108.800 -0.308 0.000 2.380 42 G HA2 0.628 4.588 3.960 0.001 0.000 0.250 42 G HA3 0.628 4.588 3.960 0.001 0.000 0.250 42 G C 0.988 175.163 174.900 -1.208 0.000 1.578 42 G CA 1.250 45.886 45.100 -0.773 0.000 0.974 42 G HN 2.440 nan 8.290 nan 0.000 0.680 43 G N 0.366 108.472 108.800 -1.156 0.000 2.527 43 G HA2 0.536 4.497 3.960 0.001 0.000 0.227 43 G HA3 0.536 4.497 3.960 0.001 0.000 0.227 43 G C 1.154 175.754 174.900 -0.501 0.000 1.291 43 G CA 1.231 45.825 45.100 -0.842 0.000 0.904 43 G HN 3.012 nan 8.290 nan 0.000 0.577 44 G N -2.678 105.769 108.800 -0.588 0.000 2.404 44 G HA2 0.783 4.743 3.960 0.001 0.000 0.253 44 G HA3 0.783 4.743 3.960 0.001 0.000 0.253 44 G C 0.139 174.259 174.900 -1.300 0.000 1.253 44 G CA 1.095 45.545 45.100 -1.083 0.000 0.917 44 G HN 2.749 nan 8.290 nan 0.000 0.480 45 G N -1.272 106.507 108.800 -1.702 0.000 2.550 45 G HA2 0.647 4.608 3.960 0.001 0.000 0.293 45 G HA3 0.647 4.608 3.960 0.001 0.000 0.293 45 G C -1.752 172.876 174.900 -0.452 0.000 1.402 45 G CA -0.769 43.832 45.100 -0.832 0.000 0.784 45 G HN 0.623 nan 8.290 nan 0.000 0.482 46 R N 0.440 120.984 120.500 0.073 0.000 2.422 46 R HA 0.510 4.851 4.340 0.001 0.000 0.307 46 R C -1.059 175.392 176.300 0.252 0.000 1.004 46 R CA -0.598 55.590 56.100 0.146 0.000 0.882 46 R CB 1.811 32.173 30.300 0.103 0.000 1.164 46 R HN 0.394 nan 8.270 nan 0.000 0.489 47 T N 3.706 118.452 114.554 0.320 0.000 2.744 47 T HA 0.343 4.694 4.350 0.001 0.000 0.291 47 T C 0.076 174.899 174.700 0.206 0.000 0.957 47 T CA -0.466 61.802 62.100 0.280 0.000 1.002 47 T CB 0.855 69.903 68.868 0.299 0.000 0.919 47 T HN 0.265 nan 8.240 nan 0.000 0.468 48 R N 2.181 122.787 120.500 0.177 0.000 2.437 48 R HA 0.692 5.032 4.340 0.001 0.000 0.310 48 R C -0.307 176.227 176.300 0.390 0.000 0.955 48 R CA -0.731 55.501 56.100 0.219 0.000 0.851 48 R CB 1.614 31.942 30.300 0.047 0.000 1.161 48 R HN 0.540 nan 8.270 nan 0.000 0.446 52 D N 2.624 122.999 120.400 -0.041 0.000 2.723 52 D HA -0.135 4.505 4.640 0.001 0.000 0.236 52 D C 0.426 176.707 176.300 -0.033 0.000 1.138 52 D CA 1.602 55.584 54.000 -0.030 0.000 0.676 52 D CB -0.932 39.855 40.800 -0.022 0.000 1.069 52 D HN 1.218 nan 8.370 nan 0.000 0.430 53 G N -0.770 108.003 108.800 -0.045 0.000 2.563 53 G HA2 0.493 4.453 3.960 0.001 0.000 0.283 53 G HA3 0.493 4.453 3.960 0.001 0.000 0.283 53 G C 1.250 176.140 174.900 -0.017 0.000 1.309 53 G CA 0.078 45.152 45.100 -0.043 0.000 1.022 53 G HN 0.230 nan 8.290 nan 0.000 0.501 54 A N -1.489 121.325 122.820 -0.010 0.000 2.015 54 A HA 0.186 4.507 4.320 0.001 0.000 0.219 54 A C 1.975 179.570 177.584 0.018 0.000 1.163 54 A CA 2.018 54.060 52.037 0.009 0.000 0.646 54 A CB -0.123 18.881 19.000 0.007 0.000 0.806 54 A HN 0.507 nan 8.150 nan 0.000 0.448 55 V N -1.137 118.779 119.914 0.005 0.000 3.058 55 V HA 0.253 4.374 4.120 0.001 0.000 0.233 55 V C 0.582 176.680 176.094 0.006 0.000 1.255 55 V CA 0.077 62.382 62.300 0.009 0.000 1.267 55 V CB 0.003 31.828 31.823 0.003 0.000 1.049 55 V HN 0.345 nan 8.190 nan 0.000 0.486 56 I N 1.728 122.295 120.570 -0.005 0.000 2.301 56 I HA 0.202 4.373 4.170 0.001 0.000 0.292 56 I C 1.371 177.476 176.117 -0.019 0.000 1.046 56 I CA 0.289 61.589 61.300 -0.000 0.000 1.282 56 I CB 1.452 39.439 38.000 -0.021 0.000 1.409 56 I HN 0.317 nan 8.210 nan 0.000 0.484 57 E N 6.041 126.242 120.200 0.000 0.000 2.076 57 E HA -0.042 4.309 4.350 0.001 0.000 0.190 57 E C 0.558 177.157 176.600 -0.001 0.000 0.979 57 E CA 0.936 57.330 56.400 -0.011 0.000 0.807 57 E CB 0.535 30.220 29.700 -0.025 0.000 0.761 57 E HN 0.494 nan 8.360 nan 0.000 0.454 58 K N -0.523 119.902 120.400 0.042 0.000 2.588 58 K HA 0.442 4.763 4.320 0.001 0.000 0.250 58 K C -1.549 175.110 176.600 0.099 0.000 0.972 58 K CA -0.360 55.968 56.287 0.068 0.000 0.821 58 K CB 1.865 34.428 32.500 0.103 0.000 1.249 58 K HN 0.138 nan 8.250 nan 0.000 0.442 59 G N 1.319 110.163 108.800 0.073 0.000 2.701 59 G HA2 0.668 4.628 3.960 0.001 0.000 0.300 59 G HA3 0.668 4.628 3.960 0.001 0.000 0.300 59 G C -1.180 173.870 174.900 0.250 0.000 1.410 59 G CA -0.908 44.276 45.100 0.140 0.000 1.014 59 G HN 0.590 nan 8.290 nan 0.000 0.509 60 G N -0.471 108.481 108.800 0.253 0.000 2.643 60 G HA2 0.580 4.541 3.960 0.001 0.000 0.305 60 G HA3 0.580 4.541 3.960 0.001 0.000 0.305 60 G C -1.285 173.731 174.900 0.194 0.000 1.387 60 G CA -0.525 44.731 45.100 0.259 0.000 0.982 60 G HN 0.912 nan 8.290 nan 0.000 0.501 61 V N 3.120 123.114 119.914 0.132 0.000 2.380 61 V HA 0.395 4.516 4.120 0.001 0.000 0.286 61 V C -0.933 175.174 176.094 0.021 0.000 1.015 61 V CA -1.187 61.104 62.300 -0.016 0.000 0.834 61 V CB 1.252 32.935 31.823 -0.234 0.000 1.009 61 V HN 0.652 nan 8.190 nan 0.000 0.428 62 N N 3.453 122.197 118.700 0.074 0.000 2.361 62 N HA 0.628 5.368 4.740 0.001 0.000 0.302 62 N C -1.083 174.528 175.510 0.169 0.000 1.074 62 N CA -0.382 52.754 53.050 0.142 0.000 0.850 62 N CB 2.309 40.893 38.487 0.161 0.000 1.228 62 N HN 0.630 nan 8.380 nan 0.000 0.491 63 F N 0.660 120.641 119.950 0.051 0.000 2.495 63 F HA 0.654 5.181 4.527 0.001 0.000 0.327 63 F C -0.547 175.292 175.800 0.065 0.000 1.103 63 F CA -0.311 57.705 58.000 0.027 0.000 0.949 63 F CB 1.230 40.213 39.000 -0.029 0.000 1.142 63 F HN 0.265 nan 8.300 nan 0.000 0.457 64 S N 4.395 119.583 115.700 -0.853 0.000 2.549 64 S HA 0.360 4.831 4.470 0.001 0.000 0.280 64 S C -1.771 172.326 174.600 -0.839 0.000 1.109 64 S CA -0.596 57.233 58.200 -0.619 0.000 0.905 64 S CB 1.397 64.554 63.200 -0.072 0.000 1.081 64 S HN 0.813 nan 8.310 nan 0.000 0.477 65 H N 1.368 120.093 119.070 -0.574 0.000 3.172 65 H HA 0.583 5.140 4.556 0.001 0.000 0.322 65 H C -1.236 173.995 175.328 -0.161 0.000 1.003 65 H CA -0.683 55.201 56.048 -0.272 0.000 1.466 65 H CB 0.695 30.428 29.762 -0.048 0.000 1.673 65 H HN 0.538 nan 8.280 nan 0.000 0.512 66 V N 2.990 122.828 119.914 -0.127 0.000 2.815 66 V HA 0.744 4.864 4.120 0.001 0.000 0.314 66 V C -1.387 174.523 176.094 -0.308 0.000 1.064 66 V CA -0.696 61.423 62.300 -0.301 0.000 0.952 66 V CB 1.503 33.304 31.823 -0.035 0.000 1.020 66 V HN 0.674 nan 8.190 nan 0.000 0.439 67 Y N 0.193 120.198 120.300 -0.492 0.000 2.624 67 Y HA 1.013 5.564 4.550 0.001 0.000 0.334 67 Y C -0.218 175.220 175.900 -0.770 0.000 1.155 67 Y CA -0.450 57.138 58.100 -0.854 0.000 1.046 67 Y CB 1.227 39.333 38.460 -0.589 0.000 1.316 67 Y HN 1.394 nan 8.280 nan 0.000 0.457 68 G N 0.748 109.093 108.800 -0.758 0.000 2.349 68 G HA2 0.434 4.395 3.960 0.001 0.000 0.294 68 G HA3 0.434 4.395 3.960 0.001 0.000 0.294 68 G C -2.292 172.592 174.900 -0.027 0.000 1.380 68 G CA -1.551 43.407 45.100 -0.236 0.000 0.811 68 G HN 0.579 nan 8.290 nan 0.000 0.519 69 K N 0.611 121.075 120.400 0.106 0.000 2.264 69 K HA 0.563 4.884 4.320 0.001 0.000 0.277 69 K C 0.390 177.112 176.600 0.204 0.000 1.067 69 K CA 0.452 56.819 56.287 0.134 0.000 0.900 69 K CB 1.169 33.717 32.500 0.079 0.000 1.124 69 K HN 1.762 nan 8.250 nan 0.000 0.469 70 G N 2.407 111.358 108.800 0.251 0.000 2.767 70 G HA2 -0.223 3.738 3.960 0.001 0.000 0.686 70 G HA3 -0.223 3.738 3.960 0.001 0.000 0.686 70 G C -0.451 174.566 174.900 0.195 0.000 1.213 70 G CA -1.069 44.148 45.100 0.195 0.000 0.803 70 G HN 0.426 nan 8.290 nan 0.000 0.603 71 L N 3.236 124.470 121.223 0.019 0.000 2.466 71 L HA 0.413 4.754 4.340 0.001 0.000 0.257 71 L C -0.549 176.248 176.870 -0.122 0.000 1.189 71 L CA -1.605 53.093 54.840 -0.236 0.000 0.813 71 L CB 0.110 42.049 42.059 -0.200 0.000 1.118 71 L HN 0.586 nan 8.230 nan 0.000 0.471 75 S N 2.137 117.799 115.700 -0.063 0.000 2.453 75 S HA 0.119 4.589 4.470 0.001 0.000 0.231 75 S C 0.629 175.213 174.600 -0.026 0.000 1.005 75 S CA 1.131 59.257 58.200 -0.124 0.000 0.949 75 S CB -0.292 62.786 63.200 -0.203 0.000 0.774 75 S HN 0.713 nan 8.310 nan 0.000 0.510 76 T N 3.267 117.818 114.554 -0.005 0.000 4.104 76 T HA 0.189 4.540 4.350 0.001 0.000 0.285 76 T C 0.884 175.590 174.700 0.009 0.000 1.346 76 T CA -0.063 62.044 62.100 0.013 0.000 1.158 76 T CB -0.450 68.428 68.868 0.016 0.000 1.290 76 T HN 0.705 nan 8.240 nan 0.000 0.975 77 E N 0.855 121.050 120.200 -0.008 0.000 2.186 77 E HA 0.064 4.414 4.350 0.001 0.000 0.244 77 E C 1.620 178.170 176.600 -0.083 0.000 1.089 77 E CA -0.580 55.807 56.400 -0.021 0.000 1.667 77 E CB -0.126 29.582 29.700 0.013 0.000 3.574 77 E HN 0.221 nan 8.360 nan 0.000 1.014 78 R N 0.180 120.586 120.500 -0.156 0.000 2.173 78 R HA 0.107 4.447 4.340 0.001 0.000 0.208 78 R C 0.166 176.072 176.300 -0.656 0.000 1.035 78 R CA 0.846 56.704 56.100 -0.404 0.000 1.004 78 R CB 0.377 30.385 30.300 -0.487 0.000 0.917 78 R HN 0.232 nan 8.270 nan 0.000 0.462 79 H N -0.218 118.822 119.070 -0.050 0.000 2.379 79 H HA 0.198 4.754 4.556 0.001 0.000 0.229 79 H C -2.101 173.230 175.328 0.005 0.000 1.423 79 H CA -1.657 54.381 56.048 -0.016 0.000 1.375 79 H CB 1.679 31.446 29.762 0.008 0.000 1.592 79 H HN 0.222 nan 8.280 nan 0.000 0.507 80 P HA -0.101 nan 4.420 nan 0.000 0.221 80 P C 1.215 178.557 177.300 0.069 0.000 1.155 80 P CA 0.868 63.999 63.100 0.052 0.000 0.812 80 P CB 0.474 32.186 31.700 0.020 0.000 0.801 81 D N 1.522 121.970 120.400 0.081 0.000 2.264 81 D HA -0.145 4.496 4.640 0.001 0.000 0.208 81 D C 1.417 177.777 176.300 0.101 0.000 0.966 81 D CA 0.953 55.001 54.000 0.081 0.000 0.864 81 D CB -0.861 39.986 40.800 0.079 0.000 0.933 81 D HN 0.344 nan 8.370 nan 0.000 0.499 82 I N -3.893 116.758 120.570 0.135 0.000 3.877 82 I HA 0.540 4.711 4.170 0.001 0.000 0.332 82 I C 1.769 177.964 176.117 0.129 0.000 1.525 82 I CA -0.575 60.812 61.300 0.146 0.000 1.146 82 I CB 0.507 38.628 38.000 0.202 0.000 1.137 82 I HN -0.084 nan 8.210 nan 0.000 0.424 83 A N 1.454 124.333 122.820 0.097 0.000 2.019 83 A HA 0.125 4.446 4.320 0.001 0.000 0.219 83 A C 2.153 179.782 177.584 0.074 0.000 1.164 83 A CA 1.446 53.525 52.037 0.071 0.000 0.644 83 A CB -0.974 18.058 19.000 0.053 0.000 0.805 83 A HN 0.571 nan 8.150 nan 0.000 0.449 84 G N -1.796 107.053 108.800 0.081 0.000 3.189 84 G HA2 0.281 4.242 3.960 0.001 0.000 0.225 84 G HA3 0.281 4.242 3.960 0.001 0.000 0.225 84 G C 0.297 175.256 174.900 0.099 0.000 1.159 84 G CA 0.136 45.285 45.100 0.082 0.000 0.763 84 G HN 0.419 nan 8.290 nan 0.000 0.549 85 C N 1.295 120.667 119.300 0.121 0.000 2.604 85 C HA 0.301 4.762 4.460 0.001 0.000 0.396 85 C C 0.389 175.485 174.990 0.176 0.000 1.282 85 C CA -1.175 57.920 59.018 0.128 0.000 2.292 85 C CB 0.347 28.165 27.740 0.130 0.000 2.633 85 C HN 0.378 nan 8.230 nan 0.000 0.620 86 N N 2.003 120.774 118.700 0.118 0.000 2.513 86 N HA 0.418 5.159 4.740 0.001 0.000 0.268 86 N C -0.651 174.921 175.510 0.103 0.000 1.180 86 N CA 0.219 53.325 53.050 0.093 0.000 0.948 86 N CB 0.329 38.817 38.487 0.001 0.000 1.083 86 N HN 0.644 nan 8.380 nan 0.000 0.455 87 F N -1.121 118.794 119.950 -0.059 0.000 2.620 87 F HA 0.675 5.203 4.527 0.001 0.000 0.320 87 F C -0.527 175.195 175.800 -0.129 0.000 1.069 87 F CA -1.039 56.850 58.000 -0.184 0.000 0.953 87 F CB 1.561 40.495 39.000 -0.110 0.000 1.322 87 F HN 0.239 nan 8.300 nan 0.000 0.479 88 E N 1.283 121.330 120.200 -0.255 0.000 2.314 88 E HA 0.734 5.085 4.350 0.001 0.000 0.272 88 E C -1.230 175.371 176.600 0.002 0.000 0.884 88 E CA -1.303 55.007 56.400 -0.150 0.000 0.753 88 E CB 2.425 32.081 29.700 -0.075 0.000 1.213 88 E HN 0.985 nan 8.360 nan 0.000 0.432 92 V N 1.028 120.967 119.914 0.041 0.000 2.495 92 V HA 0.796 4.917 4.120 0.001 0.000 0.298 92 V C 0.102 176.195 176.094 -0.001 0.000 1.031 92 V CA -0.315 62.012 62.300 0.045 0.000 0.871 92 V CB 1.544 33.386 31.823 0.032 0.000 0.988 92 V HN 1.324 nan 8.190 nan 0.000 0.432 93 S N 5.684 121.390 115.700 0.011 0.000 2.538 93 S HA 0.930 5.401 4.470 0.001 0.000 0.288 93 S C -1.111 173.492 174.600 0.005 0.000 1.108 93 S CA -0.776 57.431 58.200 0.011 0.000 0.971 93 S CB 1.888 65.146 63.200 0.096 0.000 1.041 93 S HN 0.971 nan 8.310 nan 0.000 0.483 94 L N -0.086 121.105 121.223 -0.052 0.000 2.466 94 L HA 1.000 5.340 4.340 0.001 0.000 0.258 94 L C -1.621 175.258 176.870 0.015 0.000 0.973 94 L CA -0.924 53.893 54.840 -0.038 0.000 0.826 94 L CB 1.762 43.736 42.059 -0.142 0.000 1.372 94 L HN 0.497 nan 8.230 nan 0.000 0.409 95 V N 3.530 123.468 119.914 0.041 0.000 2.623 95 V HA 0.592 4.713 4.120 0.001 0.000 0.304 95 V C -0.759 175.255 176.094 -0.134 0.000 1.054 95 V CA -0.296 61.984 62.300 -0.035 0.000 0.882 95 V CB 1.950 33.785 31.823 0.019 0.000 1.002 95 V HN 0.639 nan 8.190 nan 0.000 0.424 96 I N 4.199 124.638 120.570 -0.218 0.000 2.389 96 I HA 0.473 4.644 4.170 0.001 0.000 0.288 96 I C -0.478 175.483 176.117 -0.260 0.000 0.999 96 I CA -0.489 60.744 61.300 -0.112 0.000 1.129 96 I CB 1.535 39.595 38.000 0.100 0.000 1.288 96 I HN 0.584 nan 8.210 nan 0.000 0.444 97 H N 6.270 125.353 119.070 0.021 0.000 2.691 97 H HA 0.374 4.930 4.556 0.001 0.000 0.281 97 H C -2.388 172.938 175.328 -0.004 0.000 1.121 97 H CA -1.999 54.035 56.048 -0.023 0.000 1.254 97 H CB 1.247 30.965 29.762 -0.073 0.000 1.390 97 H HN 0.210 nan 8.280 nan 0.000 0.491 98 P HA 0.037 nan 4.420 nan 0.000 0.272 98 P C 1.236 178.518 177.300 -0.030 0.000 1.230 98 P CA -0.351 62.786 63.100 0.060 0.000 0.788 98 P CB 1.795 33.543 31.700 0.080 0.000 0.949 99 K N 1.641 122.010 120.400 -0.052 0.000 2.025 99 K HA -0.110 4.210 4.320 0.001 0.000 0.207 99 K C 0.747 177.184 176.600 -0.272 0.000 1.049 99 K CA 0.984 57.208 56.287 -0.105 0.000 0.933 99 K CB -0.189 32.295 32.500 -0.027 0.000 0.714 99 K HN 0.368 nan 8.250 nan 0.000 0.438 100 N N 1.096 119.630 118.700 -0.277 0.000 2.442 100 N HA 0.044 4.785 4.740 0.001 0.000 0.265 100 N C -2.205 173.074 175.510 -0.384 0.000 1.138 100 N CA -1.755 50.974 53.050 -0.535 0.000 0.956 100 N CB 1.485 39.872 38.487 -0.167 0.000 1.067 100 N HN -0.053 nan 8.380 nan 0.000 0.474 101 P HA -0.102 nan 4.420 nan 0.000 0.220 101 P C 0.110 177.390 177.300 -0.034 0.000 1.144 101 P CA 1.415 64.350 63.100 -0.275 0.000 0.800 101 P CB 0.092 31.668 31.700 -0.208 0.000 0.772 102 H N -2.330 116.783 119.070 0.071 0.000 2.555 102 H HA 0.094 4.651 4.556 0.001 0.000 0.269 102 H C 0.263 175.646 175.328 0.092 0.000 0.988 102 H CA -0.128 55.996 56.048 0.126 0.000 1.178 102 H CB -0.179 29.612 29.762 0.048 0.000 1.373 102 H HN -0.050 nan 8.280 nan 0.000 0.588 103 V N 2.848 122.850 119.914 0.145 0.000 2.370 103 V HA 0.206 4.326 4.120 0.001 0.000 0.279 103 V C -2.107 174.097 176.094 0.184 0.000 1.029 103 V CA -2.320 60.046 62.300 0.110 0.000 0.870 103 V CB 1.483 33.337 31.823 0.052 0.000 0.984 103 V HN 0.025 nan 8.190 nan 0.000 0.451 104 P HA 0.130 nan 4.420 nan 0.000 0.269 104 P C 0.244 177.643 177.300 0.165 0.000 1.215 104 P CA 0.070 63.218 63.100 0.081 0.000 0.780 104 P CB 0.310 31.988 31.700 -0.036 0.000 0.898 105 T N 1.549 116.120 114.554 0.028 0.000 2.900 105 T HA 0.378 4.728 4.350 0.001 0.000 0.307 105 T C 0.345 174.913 174.700 -0.219 0.000 1.065 105 T CA 0.242 62.295 62.100 -0.079 0.000 1.105 105 T CB -0.075 68.680 68.868 -0.188 0.000 0.979 105 T HN 0.581 nan 8.240 nan 0.000 0.544 106 S N 1.507 117.009 115.700 -0.330 0.000 2.618 106 S HA 0.594 5.065 4.470 0.001 0.000 0.277 106 S C -1.424 173.076 174.600 -0.166 0.000 1.138 106 S CA -1.013 56.982 58.200 -0.341 0.000 0.844 106 S CB 2.133 64.854 63.200 -0.798 0.000 1.127 106 S HN 0.902 nan 8.310 nan 0.000 0.474 107 H N 0.138 119.107 119.070 -0.169 0.000 2.930 107 H HA 0.741 5.297 4.556 0.001 0.000 0.371 107 H C -1.544 173.678 175.328 -0.178 0.000 1.169 107 H CA -0.502 55.456 56.048 -0.151 0.000 1.157 107 H CB 1.834 31.559 29.762 -0.061 0.000 1.789 107 H HN 1.169 nan 8.280 nan 0.000 0.547 108 A N 3.916 126.142 122.820 -0.991 0.000 2.587 108 A HA 0.450 4.771 4.320 0.001 0.000 0.293 108 A C -1.469 175.691 177.584 -0.706 0.000 1.087 108 A CA -0.853 50.688 52.037 -0.826 0.000 0.692 108 A CB 2.208 20.664 19.000 -0.906 0.000 1.291 108 A HN 0.741 nan 8.150 nan 0.000 0.407 109 N N -0.055 118.403 118.700 -0.403 0.000 2.371 109 N HA 0.546 5.287 4.740 0.001 0.000 0.280 109 N C -1.882 173.549 175.510 -0.131 0.000 1.084 109 N CA -0.020 52.903 53.050 -0.211 0.000 0.892 109 N CB 2.306 40.717 38.487 -0.127 0.000 1.653 109 N HN 1.241 nan 8.380 nan 0.000 0.480 110 V N 0.634 120.535 119.914 -0.022 0.000 2.686 110 V HA 0.844 4.964 4.120 0.001 0.000 0.306 110 V C -0.592 175.582 176.094 0.135 0.000 1.065 110 V CA -0.881 61.474 62.300 0.093 0.000 0.894 110 V CB 1.623 33.601 31.823 0.258 0.000 1.004 110 V HN 0.856 nan 8.190 nan 0.000 0.424 111 R N 3.322 123.925 120.500 0.173 0.000 2.734 111 R HA 0.919 5.259 4.340 0.001 0.000 0.271 111 R C -2.265 174.123 176.300 0.148 0.000 1.021 111 R CA -0.972 55.209 56.100 0.134 0.000 0.893 111 R CB 2.246 32.573 30.300 0.046 0.000 1.244 111 R HN 0.791 nan 8.270 nan 0.000 0.464 112 L N 1.259 122.470 121.223 -0.020 0.000 2.431 112 L HA 0.652 4.992 4.340 0.001 0.000 0.266 112 L C -1.847 174.900 176.870 -0.207 0.000 0.978 112 L CA -0.733 53.931 54.840 -0.292 0.000 0.822 112 L CB 2.180 43.961 42.059 -0.463 0.000 1.310 112 L HN 0.719 nan 8.230 nan 0.000 0.409 113 F N 5.319 124.946 119.950 -0.539 0.000 2.520 113 F HA 0.854 5.382 4.527 0.001 0.000 0.322 113 F C -1.361 174.121 175.800 -0.531 0.000 1.103 113 F CA -0.554 57.091 58.000 -0.592 0.000 0.926 113 F CB 1.844 40.221 39.000 -1.037 0.000 1.154 113 F HN 0.273 nan 8.300 nan 0.000 0.453 114 V N 4.601 123.824 119.914 -1.151 0.000 2.760 114 V HA 0.840 4.960 4.120 0.001 0.000 0.309 114 V C -0.864 174.673 176.094 -0.929 0.000 1.077 114 V CA -0.748 61.088 62.300 -0.773 0.000 0.910 114 V CB 1.502 33.101 31.823 -0.373 0.000 1.008 114 V HN 1.042 nan 8.190 nan 0.000 0.424 115 A N 3.510 126.006 122.820 -0.541 0.000 2.335 115 A HA 0.766 5.086 4.320 0.001 0.000 0.304 115 A C -0.311 177.233 177.584 -0.067 0.000 1.118 115 A CA -0.625 51.266 52.037 -0.243 0.000 0.757 115 A CB 0.944 19.918 19.000 -0.043 0.000 1.188 115 A HN 0.976 nan 8.150 nan 0.000 0.460 116 E N 2.387 122.562 120.200 -0.041 0.000 2.301 116 E HA 0.604 4.955 4.350 0.001 0.000 0.275 116 E C -0.669 175.950 176.600 0.032 0.000 1.030 116 E CA -0.593 55.805 56.400 -0.004 0.000 0.852 116 E CB 1.058 30.747 29.700 -0.018 0.000 1.060 116 E HN 0.529 nan 8.360 nan 0.000 0.401 117 R N 2.252 122.779 120.500 0.045 0.000 2.476 117 R HA 0.141 4.481 4.340 0.001 0.000 0.305 117 R C -1.018 175.313 176.300 0.051 0.000 0.965 117 R CA -0.802 55.330 56.100 0.054 0.000 0.867 117 R CB 1.518 31.857 30.300 0.063 0.000 1.176 117 R HN 0.698 nan 8.270 nan 0.000 0.447 118 E N 1.681 121.908 120.200 0.045 0.000 2.415 118 E HA 0.191 4.541 4.350 0.001 0.000 0.260 118 E C 0.749 177.375 176.600 0.043 0.000 1.016 118 E CA 0.389 56.813 56.400 0.041 0.000 0.924 118 E CB 0.456 30.177 29.700 0.034 0.000 0.961 118 E HN 0.765 nan 8.360 nan 0.000 0.459 119 G N 2.522 111.350 108.800 0.046 0.000 2.184 119 G HA2 -0.335 3.626 3.960 0.001 0.000 0.264 119 G HA3 -0.335 3.626 3.960 0.001 0.000 0.264 119 G C -0.021 174.911 174.900 0.053 0.000 0.975 119 G CA 0.766 45.894 45.100 0.046 0.000 0.642 119 G HN 0.521 nan 8.290 nan 0.000 0.536 120 K N 0.427 120.862 120.400 0.058 0.000 2.340 120 K HA 0.715 5.035 4.320 0.001 0.000 0.244 120 K C 0.300 176.937 176.600 0.062 0.000 0.973 120 K CA 0.239 56.561 56.287 0.058 0.000 0.828 120 K CB 1.155 33.689 32.500 0.055 0.000 1.226 120 K HN 0.514 nan 8.250 nan 0.000 0.437 121 E N 2.250 122.482 120.200 0.053 0.000 2.398 121 E HA 0.178 4.529 4.350 0.001 0.000 0.263 121 E C -2.246 174.385 176.600 0.053 0.000 1.046 121 E CA -1.676 54.740 56.400 0.027 0.000 0.908 121 E CB -0.925 28.791 29.700 0.026 0.000 0.963 121 E HN 0.370 nan 8.360 nan 0.000 0.431 122 P HA 0.194 nan 4.420 nan 0.000 0.269 122 P C -0.027 177.382 177.300 0.181 0.000 1.215 122 P CA -0.157 62.996 63.100 0.088 0.000 0.780 122 P CB 0.865 32.593 31.700 0.046 0.000 0.898 123 V N 0.623 120.623 119.914 0.143 0.000 2.567 123 V HA 0.746 4.867 4.120 0.001 0.000 0.289 123 V C -0.259 175.950 176.094 0.191 0.000 1.049 123 V CA -0.571 61.821 62.300 0.153 0.000 0.969 123 V CB 0.820 32.770 31.823 0.212 0.000 0.995 123 V HN 0.808 nan 8.190 nan 0.000 0.471 124 W N 3.579 124.965 121.300 0.143 0.000 3.146 124 W HA 0.751 5.412 4.660 0.001 0.000 0.319 124 W C -2.238 174.449 176.519 0.280 0.000 1.258 124 W CA -1.397 55.945 57.345 -0.004 0.000 1.189 124 W CB 1.070 30.520 29.460 -0.018 0.000 1.412 124 W HN 1.006 nan 8.180 nan 0.000 0.567 125 W N 0.883 122.382 121.300 0.333 0.000 3.275 125 W HA 0.709 5.370 4.660 0.001 0.000 0.306 125 W C -2.442 174.168 176.519 0.153 0.000 1.259 125 W CA -1.590 55.897 57.345 0.237 0.000 1.194 125 W CB 0.212 29.715 29.460 0.071 0.000 1.375 125 W HN 0.245 nan 8.180 nan 0.000 0.564 126 F N 1.961 122.228 119.950 0.529 0.000 2.403 126 F HA 0.892 5.420 4.527 0.001 0.000 0.326 126 F C 1.043 177.047 175.800 0.340 0.000 1.081 126 F CA 0.020 58.244 58.000 0.372 0.000 1.041 126 F CB 1.998 41.221 39.000 0.371 0.000 1.234 126 F HN 0.703 nan 8.300 nan 0.000 0.503 127 G N -0.734 108.256 108.800 0.316 0.000 2.695 127 G HA2 0.659 4.620 3.960 0.001 0.000 0.290 127 G HA3 0.659 4.620 3.960 0.001 0.000 0.290 127 G C -0.877 173.614 174.900 -0.682 0.000 1.410 127 G CA -0.278 44.670 45.100 -0.254 0.000 0.844 127 G HN 1.094 nan 8.290 nan 0.000 0.478 128 G N -1.824 106.055 108.800 -1.536 0.000 2.356 128 G HA2 0.741 4.702 3.960 0.001 0.000 0.266 128 G HA3 0.741 4.702 3.960 0.001 0.000 0.266 128 G C 0.012 174.111 174.900 -1.335 0.000 1.312 128 G CA 0.958 45.374 45.100 -1.140 0.000 0.922 128 G HN 2.650 nan 8.290 nan 0.000 0.480 129 G N -1.997 106.470 108.800 -0.555 0.000 2.357 129 G HA2 0.669 4.630 3.960 0.001 0.000 0.289 129 G HA3 0.669 4.630 3.960 0.001 0.000 0.289 129 G C -1.045 173.817 174.900 -0.065 0.000 1.302 129 G CA 0.386 45.340 45.100 -0.244 0.000 0.936 129 G HN 2.285 nan 8.290 nan 0.000 0.513 130 F N -0.635 119.363 119.950 0.080 0.000 2.668 130 F HA 0.868 5.396 4.527 0.001 0.000 0.309 130 F C -0.968 174.980 175.800 0.247 0.000 1.117 130 F CA -0.889 57.155 58.000 0.074 0.000 0.951 130 F CB 1.767 40.839 39.000 0.120 0.000 1.323 130 F HN 0.967 nan 8.300 nan 0.000 0.451 131 D N 0.464 121.185 120.400 0.534 0.000 2.623 131 D HA 0.568 5.208 4.640 0.001 0.000 0.241 131 D C -2.240 174.087 176.300 0.045 0.000 1.241 131 D CA -0.727 53.460 54.000 0.312 0.000 0.788 131 D CB 2.346 43.094 40.800 -0.086 0.000 1.413 131 D HN 0.777 nan 8.370 nan 0.000 0.429 132 L N 0.422 121.446 121.223 -0.332 0.000 2.341 132 L HA 0.673 5.014 4.340 0.001 0.000 0.278 132 L C -0.879 175.776 176.870 -0.359 0.000 1.005 132 L CA 0.041 54.539 54.840 -0.570 0.000 0.818 132 L CB 2.264 43.581 42.059 -1.236 0.000 1.259 132 L HN 0.689 nan 8.230 nan 0.000 0.418 133 T N 6.025 120.389 114.554 -0.317 0.000 3.250 133 T HA 0.400 4.750 4.350 0.001 0.000 0.391 133 T C -2.635 171.749 174.700 -0.527 0.000 1.502 133 T CA -0.962 60.938 62.100 -0.333 0.000 1.320 133 T CB 0.586 69.312 68.868 -0.236 0.000 1.102 133 T HN 0.388 nan 8.240 nan 0.000 0.610 134 P HA 0.267 nan 4.420 nan 0.000 0.274 134 P C -0.359 176.530 177.300 -0.686 0.000 1.246 134 P CA -0.373 62.445 63.100 -0.470 0.000 0.795 134 P CB 1.315 32.813 31.700 -0.337 0.000 1.006 135 Y N -1.317 118.919 120.300 -0.106 0.000 2.569 135 Y HA 0.222 4.773 4.550 0.001 0.000 0.278 135 Y C 0.855 176.612 175.900 -0.237 0.000 1.130 135 Y CA 0.683 58.705 58.100 -0.131 0.000 1.280 135 Y CB -0.412 37.972 38.460 -0.127 0.000 1.379 135 Y HN 0.155 nan 8.280 nan 0.000 0.508 136 Y N 1.291 121.703 120.300 0.187 0.000 2.931 136 Y HA 0.639 5.189 4.550 0.001 0.000 0.330 136 Y C 0.297 176.167 175.900 -0.051 0.000 1.115 136 Y CA -1.506 56.646 58.100 0.088 0.000 1.283 136 Y CB 0.064 38.593 38.460 0.116 0.000 1.215 136 Y HN 0.027 nan 8.280 nan 0.000 0.534 137 A N 1.760 124.415 122.820 -0.274 0.000 2.366 137 A HA 0.662 4.982 4.320 0.001 0.000 0.249 137 A C -0.448 176.865 177.584 -0.451 0.000 1.084 137 A CA -0.339 51.317 52.037 -0.635 0.000 0.794 137 A CB 0.482 18.582 19.000 -1.502 0.000 1.034 137 A HN 0.396 nan 8.150 nan 0.000 0.491 138 V N 1.498 121.282 119.914 -0.217 0.000 2.638 138 V HA 0.219 4.340 4.120 0.001 0.000 0.306 138 V C 1.076 177.324 176.094 0.257 0.000 1.052 138 V CA -0.213 62.153 62.300 0.111 0.000 0.885 138 V CB 1.412 33.291 31.823 0.094 0.000 0.999 138 V HN 1.151 nan 8.190 nan 0.000 0.424 139 E N 3.274 123.779 120.200 0.508 0.000 2.048 139 E HA -0.278 4.073 4.350 0.001 0.000 0.202 139 E C 1.871 178.656 176.600 0.309 0.000 1.021 139 E CA 2.529 59.255 56.400 0.543 0.000 0.825 139 E CB -0.002 29.977 29.700 0.466 0.000 0.756 139 E HN 0.816 nan 8.360 nan 0.000 0.454 140 E N -0.555 119.779 120.200 0.222 0.000 2.110 140 E HA -0.223 4.128 4.350 0.001 0.000 0.193 140 E C 1.431 178.098 176.600 0.112 0.000 0.988 140 E CA 1.475 57.972 56.400 0.161 0.000 0.804 140 E CB -0.082 29.693 29.700 0.125 0.000 0.745 140 E HN 0.324 nan 8.360 nan 0.000 0.458 141 D N -0.115 120.327 120.400 0.071 0.000 2.117 141 D HA -0.142 4.498 4.640 0.001 0.000 0.197 141 D C 2.009 178.308 176.300 -0.002 0.000 0.987 141 D CA 0.995 55.015 54.000 0.033 0.000 0.829 141 D CB -0.522 40.273 40.800 -0.008 0.000 0.961 141 D HN 0.293 nan 8.370 nan 0.000 0.460 142 C N 0.622 119.827 119.300 -0.159 0.000 2.446 142 C HA -0.012 4.448 4.460 0.001 0.000 0.277 142 C C 2.616 177.497 174.990 -0.182 0.000 1.275 142 C CA 0.158 58.893 59.018 -0.471 0.000 1.727 142 C CB -0.739 26.166 27.740 -1.391 0.000 2.010 142 C HN 0.342 nan 8.230 nan 0.000 0.486 143 R N 1.021 121.551 120.500 0.051 0.000 2.073 143 R HA -0.122 4.218 4.340 0.001 0.000 0.234 143 R C 1.778 178.228 176.300 0.250 0.000 1.134 143 R CA 1.742 58.017 56.100 0.290 0.000 0.952 143 R CB -0.469 30.020 30.300 0.314 0.000 0.850 143 R HN 0.512 nan 8.270 nan 0.000 0.433 144 D N 0.238 120.747 120.400 0.182 0.000 2.123 144 D HA -0.185 4.456 4.640 0.001 0.000 0.196 144 D C 1.586 177.989 176.300 0.173 0.000 0.992 144 D CA 1.060 55.149 54.000 0.148 0.000 0.833 144 D CB -0.318 40.545 40.800 0.107 0.000 0.954 144 D HN 0.072 nan 8.370 nan 0.000 0.455 145 F N 1.162 121.145 119.950 0.055 0.000 2.095 145 F HA -0.239 4.289 4.527 0.001 0.000 0.298 145 F C 2.519 178.387 175.800 0.114 0.000 1.104 145 F CA 1.679 59.709 58.000 0.050 0.000 1.232 145 F CB -0.113 38.886 39.000 -0.002 0.000 0.987 145 F HN 0.109 nan 8.300 nan 0.000 0.475 146 H N -1.109 118.173 119.070 0.353 0.000 2.423 146 H HA -0.127 4.430 4.556 0.001 0.000 0.297 146 H C 2.106 177.512 175.328 0.129 0.000 1.075 146 H CA 1.494 57.749 56.048 0.345 0.000 1.342 146 H CB -0.195 29.848 29.762 0.468 0.000 1.395 146 H HN 0.305 nan 8.280 nan 0.000 0.530 147 Q N 0.924 120.842 119.800 0.196 0.000 2.084 147 Q HA -0.083 4.258 4.340 0.001 0.000 0.202 147 Q C 2.448 178.461 176.000 0.021 0.000 0.978 147 Q CA 1.062 56.905 55.803 0.067 0.000 0.844 147 Q CB -0.352 28.436 28.738 0.083 0.000 0.898 147 Q HN 0.172 nan 8.270 nan 0.000 0.426 148 V N 0.560 120.489 119.914 0.025 0.000 2.332 148 V HA -0.301 3.820 4.120 0.001 0.000 0.248 148 V C 2.241 178.383 176.094 0.080 0.000 1.055 148 V CA 1.849 64.152 62.300 0.006 0.000 1.038 148 V CB -1.278 30.490 31.823 -0.091 0.000 0.651 148 V HN 0.500 nan 8.190 nan 0.000 0.450 149 A N -0.907 121.997 122.820 0.140 0.000 1.877 149 A HA -0.313 4.008 4.320 0.001 0.000 0.216 149 A C 2.264 179.947 177.584 0.165 0.000 1.186 149 A CA 2.165 54.350 52.037 0.247 0.000 0.620 149 A CB -0.579 18.605 19.000 0.306 0.000 0.822 149 A HN 0.594 nan 8.150 nan 0.000 0.443 150 Q N -0.622 119.082 119.800 -0.160 0.000 2.084 150 Q HA -0.233 4.108 4.340 0.001 0.000 0.202 150 Q C 1.316 177.289 176.000 -0.044 0.000 0.978 150 Q CA 1.845 57.409 55.803 -0.398 0.000 0.844 150 Q CB -0.161 28.151 28.738 -0.711 0.000 0.898 150 Q HN 0.605 nan 8.270 nan 0.000 0.426 151 D N 0.523 120.919 120.400 -0.008 0.000 2.117 151 D HA -0.162 4.479 4.640 0.001 0.000 0.197 151 D C 1.977 178.338 176.300 0.102 0.000 0.987 151 D CA 1.348 55.371 54.000 0.039 0.000 0.829 151 D CB -0.266 40.549 40.800 0.025 0.000 0.961 151 D HN 0.395 nan 8.370 nan 0.000 0.460 152 L N -0.998 120.308 121.223 0.138 0.000 2.141 152 L HA -0.006 4.335 4.340 0.001 0.000 0.209 152 L C 2.073 179.151 176.870 0.347 0.000 1.094 152 L CA 1.224 56.180 54.840 0.194 0.000 0.763 152 L CB -1.055 41.093 42.059 0.147 0.000 0.908 152 L HN -0.059 nan 8.230 nan 0.000 0.437 153 C N -0.053 119.466 119.300 0.365 0.000 2.446 153 C HA -0.043 4.417 4.460 0.001 0.000 0.279 153 C C 2.817 178.062 174.990 0.425 0.000 1.366 153 C CA 0.763 60.088 59.018 0.512 0.000 1.763 153 C CB -0.902 27.125 27.740 0.479 0.000 1.929 153 C HN 0.700 nan 8.230 nan 0.000 0.509 154 K N 1.689 122.241 120.400 0.252 0.000 2.015 154 K HA -0.198 4.123 4.320 0.001 0.000 0.216 154 K C -0.686 175.958 176.600 0.073 0.000 1.052 154 K CA 2.229 58.599 56.287 0.138 0.000 0.937 154 K CB -1.031 31.512 32.500 0.072 0.000 0.719 154 K HN 0.336 nan 8.250 nan 0.000 0.446 155 P HA -0.130 nan 4.420 nan 0.000 0.225 155 P C 0.671 177.751 177.300 -0.366 0.000 1.148 155 P CA 1.155 64.126 63.100 -0.215 0.000 0.779 155 P CB -0.077 31.414 31.700 -0.347 0.000 0.780 156 F N 0.157 120.034 119.950 -0.123 0.000 2.615 156 F HA 0.326 4.854 4.527 0.001 0.000 0.297 156 F C 1.608 177.253 175.800 -0.260 0.000 1.124 156 F CA 1.023 58.827 58.000 -0.327 0.000 1.451 156 F CB -0.182 38.598 39.000 -0.367 0.000 1.103 156 F HN 0.007 nan 8.300 nan 0.000 0.569 157 G N -1.196 107.632 108.800 0.048 0.000 2.329 157 G HA2 0.341 4.301 3.960 0.001 0.000 0.308 157 G HA3 0.341 4.301 3.960 0.001 0.000 0.308 157 G C 0.124 175.070 174.900 0.077 0.000 1.587 157 G CA -0.539 44.593 45.100 0.053 0.000 0.978 157 G HN 0.086 nan 8.290 nan 0.000 0.685 158 A N -0.342 122.512 122.820 0.056 0.000 2.067 158 A HA 0.172 4.493 4.320 0.001 0.000 0.219 158 A C 1.461 179.087 177.584 0.070 0.000 1.158 158 A CA 2.244 54.318 52.037 0.061 0.000 0.661 158 A CB -0.046 18.979 19.000 0.042 0.000 0.801 158 A HN 0.518 nan 8.150 nan 0.000 0.452 159 D N -1.097 119.331 120.400 0.047 0.000 2.395 159 D HA 0.167 4.808 4.640 0.001 0.000 0.213 159 D C 1.598 177.864 176.300 -0.056 0.000 1.110 159 D CA 0.147 54.154 54.000 0.011 0.000 0.835 159 D CB 0.549 41.340 40.800 -0.014 0.000 0.965 159 D HN 0.203 nan 8.370 nan 0.000 0.505 160 V N 0.712 120.608 119.914 -0.031 0.000 2.270 160 V HA -0.260 3.861 4.120 0.001 0.000 0.245 160 V C 2.240 178.260 176.094 -0.123 0.000 1.043 160 V CA 1.339 63.519 62.300 -0.201 0.000 1.014 160 V CB -0.641 31.177 31.823 -0.008 0.000 0.645 160 V HN 0.197 nan 8.190 nan 0.000 0.447 161 Y N 1.653 121.978 120.300 0.042 0.000 2.128 161 Y HA -0.231 4.319 4.550 0.001 0.000 0.284 161 Y C 2.387 178.373 175.900 0.142 0.000 1.154 161 Y CA 1.582 59.773 58.100 0.152 0.000 1.149 161 Y CB -0.705 37.865 38.460 0.182 0.000 0.976 161 Y HN 0.134 nan 8.280 nan 0.000 0.505 162 A N 0.749 123.565 122.820 -0.006 0.000 1.883 162 A HA -0.243 4.077 4.320 0.001 0.000 0.217 162 A C 2.317 179.846 177.584 -0.092 0.000 1.186 162 A CA 2.166 54.155 52.037 -0.081 0.000 0.624 162 A CB -0.701 18.315 19.000 0.026 0.000 0.822 162 A HN 0.575 nan 8.150 nan 0.000 0.444 163 R N -1.732 118.698 120.500 -0.116 0.000 2.066 163 R HA -0.057 4.284 4.340 0.001 0.000 0.232 163 R C 1.790 178.231 176.300 0.235 0.000 1.131 163 R CA 1.639 57.700 56.100 -0.065 0.000 0.955 163 R CB -0.392 29.736 30.300 -0.286 0.000 0.851 163 R HN 0.536 nan 8.270 nan 0.000 0.432 164 F N 1.188 121.258 119.950 0.200 0.000 2.512 164 F HA 0.051 4.579 4.527 0.001 0.000 0.296 164 F C 2.223 178.174 175.800 0.252 0.000 1.110 164 F CA 0.369 58.569 58.000 0.334 0.000 1.446 164 F CB -0.506 38.692 39.000 0.330 0.000 1.092 164 F HN -0.105 nan 8.300 nan 0.000 0.554 165 K N 1.066 121.570 120.400 0.173 0.000 2.025 165 K HA -0.086 4.234 4.320 0.001 0.000 0.207 165 K C 2.333 179.052 176.600 0.198 0.000 1.049 165 K CA 1.426 57.753 56.287 0.067 0.000 0.933 165 K CB -0.877 31.343 32.500 -0.466 0.000 0.714 165 K HN 0.325 nan 8.250 nan 0.000 0.438 166 G N 0.738 109.627 108.800 0.149 0.000 2.446 166 G HA2 -0.277 3.684 3.960 0.001 0.000 0.217 166 G HA3 -0.277 3.684 3.960 0.001 0.000 0.217 166 G C 1.382 176.457 174.900 0.292 0.000 1.168 166 G CA 0.651 45.849 45.100 0.163 0.000 0.771 166 G HN 0.424 nan 8.290 nan 0.000 0.551 167 W N 0.627 122.049 121.300 0.202 0.000 2.363 167 W HA -0.093 4.568 4.660 0.001 0.000 0.296 167 W C 2.562 179.207 176.519 0.211 0.000 1.212 167 W CA 0.484 57.975 57.345 0.244 0.000 1.260 167 W CB -1.043 28.666 29.460 0.414 0.000 1.131 167 W HN 0.270 nan 8.180 nan 0.000 0.530 168 C N 0.977 120.591 119.300 0.523 0.000 2.429 168 C HA -0.207 4.254 4.460 0.001 0.000 0.277 168 C C 2.409 177.629 174.990 0.384 0.000 1.262 168 C CA 1.917 61.208 59.018 0.454 0.000 1.733 168 C CB -1.306 26.724 27.740 0.484 0.000 2.010 168 C HN 0.201 nan 8.230 nan 0.000 0.483 169 D N 0.317 120.906 120.400 0.314 0.000 2.144 169 D HA -0.113 4.527 4.640 0.001 0.000 0.199 169 D C 2.164 178.553 176.300 0.147 0.000 0.984 169 D CA 1.359 55.495 54.000 0.227 0.000 0.834 169 D CB -0.501 40.391 40.800 0.153 0.000 0.955 169 D HN 0.687 nan 8.370 nan 0.000 0.465 170 E N -0.666 119.619 120.200 0.142 0.000 2.072 170 E HA -0.165 4.185 4.350 0.001 0.000 0.190 170 E C 1.913 178.575 176.600 0.102 0.000 0.982 170 E CA 0.530 56.975 56.400 0.075 0.000 0.803 170 E CB -0.103 29.659 29.700 0.103 0.000 0.755 170 E HN 0.327 nan 8.360 nan 0.000 0.453 171 Y N 0.269 120.517 120.300 -0.086 0.000 2.153 171 Y HA -0.088 4.463 4.550 0.001 0.000 0.289 171 Y C 0.703 176.423 175.900 -0.301 0.000 1.127 171 Y CA 0.977 58.838 58.100 -0.397 0.000 1.131 171 Y CB 0.120 37.812 38.460 -1.280 0.000 0.995 171 Y HN -0.141 nan 8.280 nan 0.000 0.505 172 F N 1.295 121.229 119.950 -0.027 0.000 2.640 172 F HA 0.203 4.731 4.527 0.001 0.000 0.354 172 F C -0.771 174.987 175.800 -0.070 0.000 1.213 172 F CA -0.254 57.564 58.000 -0.305 0.000 1.314 172 F CB -0.694 38.125 39.000 -0.303 0.000 1.679 172 F HN -0.118 nan 8.300 nan 0.000 0.622 173 F N 1.251 121.222 119.950 0.035 0.000 2.569 173 F HA 0.608 5.136 4.527 0.001 0.000 0.312 173 F C -0.876 174.975 175.800 0.086 0.000 1.109 173 F CA -1.707 56.319 58.000 0.042 0.000 0.919 173 F CB 1.305 40.314 39.000 0.015 0.000 1.211 173 F HN -0.047 nan 8.300 nan 0.000 0.446 174 I N 8.596 128.787 120.570 -0.631 0.000 2.310 174 I HA 0.270 4.440 4.170 0.001 0.000 0.287 174 I C -1.898 173.673 176.117 -0.910 0.000 1.073 174 I CA -1.672 59.257 61.300 -0.618 0.000 1.216 174 I CB 1.111 38.763 38.000 -0.581 0.000 1.415 174 I HN 0.465 nan 8.210 nan 0.000 0.480 175 P HA -0.177 nan 4.420 nan 0.000 0.217 175 P C 1.300 178.513 177.300 -0.144 0.000 1.151 175 P CA 1.308 64.298 63.100 -0.183 0.000 0.828 175 P CB -0.078 31.694 31.700 0.120 0.000 0.788 176 Y N -1.086 119.160 120.300 -0.090 0.000 2.571 176 Y HA 0.108 4.658 4.550 0.001 0.000 0.294 176 Y C 1.700 177.568 175.900 -0.054 0.000 1.141 176 Y CA 0.485 58.554 58.100 -0.052 0.000 1.308 176 Y CB -1.044 37.389 38.460 -0.044 0.000 1.002 176 Y HN -0.180 nan 8.280 nan 0.000 0.551 177 R N 0.419 120.673 120.500 -0.410 0.000 2.397 177 R HA 0.056 4.396 4.340 0.001 0.000 0.241 177 R C 0.127 176.297 176.300 -0.216 0.000 0.914 177 R CA 0.226 56.180 56.100 -0.243 0.000 1.071 177 R CB -0.044 30.077 30.300 -0.298 0.000 1.116 177 R HN 0.232 nan 8.270 nan 0.000 0.524 178 N N 2.506 121.041 118.700 -0.275 0.000 2.714 178 N HA -0.237 4.504 4.740 0.001 0.000 0.252 178 N C -1.261 174.143 175.510 -0.176 0.000 1.014 178 N CA 1.009 53.981 53.050 -0.130 0.000 0.735 178 N CB -0.663 37.865 38.487 0.067 0.000 0.924 178 N HN 0.499 nan 8.380 nan 0.000 0.540 179 E N -0.748 119.090 120.200 -0.603 0.000 2.278 179 E HA 0.609 4.960 4.350 0.001 0.000 0.272 179 E C -0.653 175.753 176.600 -0.325 0.000 0.890 179 E CA -0.485 55.750 56.400 -0.276 0.000 0.770 179 E CB 1.075 30.669 29.700 -0.177 0.000 1.212 179 E HN 0.393 nan 8.360 nan 0.000 0.415 180 A N 3.562 126.439 122.820 0.096 0.000 2.483 180 A HA 0.119 4.440 4.320 0.001 0.000 0.238 180 A C 1.034 178.635 177.584 0.029 0.000 1.070 180 A CA 0.138 52.292 52.037 0.195 0.000 0.770 180 A CB 0.619 19.775 19.000 0.260 0.000 1.008 180 A HN 0.913 nan 8.150 nan 0.000 0.497 181 R N 0.978 121.466 120.500 -0.021 0.000 2.090 181 R HA 0.083 4.423 4.340 0.001 0.000 0.228 181 R C 0.966 177.225 176.300 -0.068 0.000 1.110 181 R CA 1.505 57.538 56.100 -0.112 0.000 0.973 181 R CB -0.031 30.060 30.300 -0.348 0.000 0.869 181 R HN 0.915 nan 8.270 nan 0.000 0.440 182 G N -0.680 108.098 108.800 -0.036 0.000 2.846 182 G HA2 0.265 4.226 3.960 0.001 0.000 0.299 182 G HA3 0.265 4.226 3.960 0.001 0.000 0.299 182 G C -0.212 174.724 174.900 0.059 0.000 1.242 182 G CA -0.152 44.919 45.100 -0.048 0.000 0.800 182 G HN 0.156 nan 8.290 nan 0.000 0.538 183 I N -1.119 119.471 120.570 0.033 0.000 3.793 183 I HA 0.576 4.746 4.170 0.001 0.000 0.315 183 I C 1.097 177.438 176.117 0.374 0.000 1.275 183 I CA 0.250 61.667 61.300 0.195 0.000 1.214 183 I CB -0.031 37.982 38.000 0.023 0.000 1.018 183 I HN 1.496 nan 8.210 nan 0.000 0.439 184 G N -0.053 108.902 108.800 0.258 0.000 2.482 184 G HA2 0.359 4.320 3.960 0.001 0.000 0.214 184 G HA3 0.359 4.320 3.960 0.001 0.000 0.214 184 G C 0.076 175.165 174.900 0.315 0.000 1.271 184 G CA -0.364 44.962 45.100 0.376 0.000 0.944 184 G HN 1.434 nan 8.290 nan 0.000 0.568 185 G N -2.036 106.958 108.800 0.323 0.000 2.384 185 G HA2 0.497 4.458 3.960 0.001 0.000 0.113 185 G HA3 0.497 4.458 3.960 0.001 0.000 0.113 185 G C -1.169 173.827 174.900 0.159 0.000 1.224 185 G CA 0.022 45.245 45.100 0.205 0.000 1.126 185 G HN 1.530 nan 8.290 nan 0.000 0.461 186 L N 0.109 121.317 121.223 -0.026 0.000 2.370 186 L HA 0.863 5.203 4.340 0.001 0.000 0.266 186 L C -1.210 175.789 176.870 0.216 0.000 1.002 186 L CA -0.825 54.072 54.840 0.094 0.000 0.818 186 L CB 2.312 44.312 42.059 -0.098 0.000 1.325 186 L HN 0.596 nan 8.230 nan 0.000 0.418 187 F N 3.732 123.746 119.950 0.107 0.000 2.596 187 F HA 0.704 5.232 4.527 0.001 0.000 0.311 187 F C -1.437 174.081 175.800 -0.471 0.000 1.116 187 F CA -0.778 57.095 58.000 -0.212 0.000 0.957 187 F CB 1.630 40.505 39.000 -0.208 0.000 1.250 187 F HN 0.300 nan 8.300 nan 0.000 0.444 188 F N 2.788 121.833 119.950 -1.508 0.000 2.668 188 F HA 0.800 5.327 4.527 0.001 0.000 0.309 188 F C -1.893 173.006 175.800 -1.501 0.000 1.117 188 F CA -0.817 56.190 58.000 -1.656 0.000 0.951 188 F CB 1.564 39.589 39.000 -1.624 0.000 1.323 188 F HN 0.407 nan 8.300 nan 0.000 0.451 189 D N -0.272 119.532 120.400 -0.993 0.000 2.615 189 D HA 0.264 4.905 4.640 0.001 0.000 0.267 189 D C -1.061 175.230 176.300 -0.016 0.000 1.236 189 D CA 0.005 53.739 54.000 -0.442 0.000 0.839 189 D CB 1.929 42.456 40.800 -0.454 0.000 1.380 189 D HN 0.724 nan 8.370 nan 0.000 0.433 190 D N 0.290 120.661 120.400 -0.049 0.000 2.811 190 D HA -0.220 4.421 4.640 0.001 0.000 0.231 190 D C 0.070 176.414 176.300 0.073 0.000 1.157 190 D CA 0.318 54.200 54.000 -0.198 0.000 0.716 190 D CB -1.184 39.459 40.800 -0.262 0.000 1.077 190 D HN 0.163 nan 8.370 nan 0.000 0.428 191 L N 1.742 123.118 121.223 0.255 0.000 2.363 191 L HA 0.243 4.584 4.340 0.001 0.000 0.286 191 L C 0.687 177.729 176.870 0.286 0.000 1.106 191 L CA 0.138 55.105 54.840 0.212 0.000 0.859 191 L CB 0.177 42.396 42.059 0.267 0.000 1.223 191 L HN 0.117 nan 8.230 nan 0.000 0.446 192 N N 0.839 119.556 118.700 0.029 0.000 2.261 192 N HA 0.038 4.779 4.740 0.001 0.000 0.241 192 N C 0.499 175.936 175.510 -0.120 0.000 1.374 192 N CA -0.191 52.748 53.050 -0.185 0.000 0.802 192 N CB -0.099 37.934 38.487 -0.758 0.000 1.339 192 N HN 0.408 nan 8.380 nan 0.000 0.498 193 E N -0.249 119.872 120.200 -0.132 0.000 2.216 193 E HA 0.130 4.480 4.350 0.001 0.000 0.192 193 E C -0.227 176.398 176.600 0.041 0.000 0.988 193 E CA 0.844 57.156 56.400 -0.146 0.000 0.834 193 E CB 0.129 29.633 29.700 -0.326 0.000 0.772 193 E HN 0.361 nan 8.360 nan 0.000 0.479 194 W N 0.554 121.958 121.300 0.173 0.000 2.415 194 W HA 0.369 5.029 4.660 0.001 0.000 0.355 194 W C -2.002 174.710 176.519 0.321 0.000 1.161 194 W CA -3.190 54.272 57.345 0.195 0.000 1.315 194 W CB -0.911 28.646 29.460 0.161 0.000 1.261 194 W HN -0.195 nan 8.180 nan 0.000 0.636 195 P HA -0.131 nan 4.420 nan 0.000 0.266 195 P C 0.946 178.576 177.300 0.551 0.000 1.193 195 P CA 0.226 63.617 63.100 0.484 0.000 0.770 195 P CB 0.422 32.312 31.700 0.316 0.000 0.836 196 F N 2.643 122.798 119.950 0.343 0.000 2.087 196 F HA -0.274 4.253 4.527 0.001 0.000 0.299 196 F C 2.005 177.901 175.800 0.159 0.000 1.100 196 F CA 1.842 59.865 58.000 0.038 0.000 1.226 196 F CB -0.153 38.603 39.000 -0.407 0.000 0.983 196 F HN 0.344 nan 8.300 nan 0.000 0.479 197 E N 0.313 120.736 120.200 0.373 0.000 2.118 197 E HA -0.277 4.073 4.350 0.001 0.000 0.195 197 E C 2.205 178.903 176.600 0.163 0.000 0.992 197 E CA 1.451 58.025 56.400 0.291 0.000 0.804 197 E CB -0.398 29.444 29.700 0.237 0.000 0.741 197 E HN 0.485 nan 8.360 nan 0.000 0.458 198 K N 0.503 121.012 120.400 0.181 0.000 2.057 198 K HA -0.104 4.217 4.320 0.001 0.000 0.206 198 K C 2.298 179.035 176.600 0.227 0.000 1.050 198 K CA 1.361 57.748 56.287 0.167 0.000 0.935 198 K CB -0.089 32.465 32.500 0.090 0.000 0.715 198 K HN 0.084 nan 8.250 nan 0.000 0.439 199 C N 0.582 120.036 119.300 0.257 0.000 2.413 199 C HA -0.124 4.337 4.460 0.001 0.000 0.276 199 C C 2.420 177.135 174.990 -0.458 0.000 1.248 199 C CA 0.426 59.489 59.018 0.074 0.000 1.742 199 C CB -1.140 26.691 27.740 0.152 0.000 2.017 199 C HN 0.566 nan 8.230 nan 0.000 0.481 200 F N 2.293 121.775 119.950 -0.779 0.000 2.134 200 F HA -0.087 4.441 4.527 0.001 0.000 0.299 200 F C 2.359 177.893 175.800 -0.443 0.000 1.097 200 F CA 1.671 59.199 58.000 -0.787 0.000 1.264 200 F CB -0.737 37.982 39.000 -0.468 0.000 1.001 200 F HN 0.225 nan 8.300 nan 0.000 0.479 201 E N -0.323 119.693 120.200 -0.306 0.000 2.110 201 E HA -0.240 4.111 4.350 0.001 0.000 0.193 201 E C 2.223 178.740 176.600 -0.138 0.000 0.988 201 E CA 1.118 57.362 56.400 -0.259 0.000 0.804 201 E CB -0.979 28.727 29.700 0.011 0.000 0.745 201 E HN 0.479 nan 8.360 nan 0.000 0.458 202 F N 1.794 121.516 119.950 -0.379 0.000 2.102 202 F HA -0.218 4.310 4.527 0.001 0.000 0.298 202 F C 2.364 177.889 175.800 -0.458 0.000 1.105 202 F CA 1.650 59.159 58.000 -0.819 0.000 1.239 202 F CB -0.419 38.089 39.000 -0.821 0.000 0.991 202 F HN -0.074 nan 8.300 nan 0.000 0.474 203 V N -1.097 118.577 119.914 -0.400 0.000 2.626 203 V HA -0.243 3.878 4.120 0.001 0.000 0.252 203 V C 1.972 177.925 176.094 -0.235 0.000 1.067 203 V CA 1.920 64.084 62.300 -0.226 0.000 1.081 203 V CB -1.163 30.685 31.823 0.040 0.000 0.686 203 V HN 0.512 nan 8.190 nan 0.000 0.468 204 Q N 0.980 120.454 119.800 -0.543 0.000 2.084 204 Q HA -0.048 4.292 4.340 0.001 0.000 0.202 204 Q C 2.533 178.408 176.000 -0.210 0.000 0.978 204 Q CA 1.889 57.301 55.803 -0.651 0.000 0.844 204 Q CB -0.469 27.701 28.738 -0.946 0.000 0.898 204 Q HN 0.766 nan 8.270 nan 0.000 0.426 205 A N 0.359 123.036 122.820 -0.238 0.000 1.933 205 A HA -0.127 4.193 4.320 0.001 0.000 0.218 205 A C 2.320 179.842 177.584 -0.104 0.000 1.175 205 A CA 1.231 53.191 52.037 -0.127 0.000 0.628 205 A CB -0.594 18.359 19.000 -0.078 0.000 0.814 205 A HN 0.206 nan 8.150 nan 0.000 0.444 206 V N -0.133 119.641 119.914 -0.234 0.000 2.358 206 V HA -0.160 3.961 4.120 0.001 0.000 0.246 206 V C 2.825 179.054 176.094 0.226 0.000 1.047 206 V CA 1.911 64.208 62.300 -0.004 0.000 1.035 206 V CB -1.438 30.306 31.823 -0.132 0.000 0.658 206 V HN 0.599 nan 8.190 nan 0.000 0.452 207 G N -0.227 108.694 108.800 0.201 0.000 2.421 207 G HA2 -0.326 3.635 3.960 0.001 0.000 0.216 207 G HA3 -0.326 3.635 3.960 0.001 0.000 0.216 207 G C 1.638 176.650 174.900 0.187 0.000 1.171 207 G CA 1.168 46.422 45.100 0.256 0.000 0.775 207 G HN 0.510 nan 8.290 nan 0.000 0.543 208 K N 0.420 120.908 120.400 0.147 0.000 2.057 208 K HA -0.005 4.315 4.320 0.001 0.000 0.207 208 K C 2.618 179.216 176.600 -0.003 0.000 1.049 208 K CA 1.459 57.788 56.287 0.070 0.000 0.931 208 K CB -0.699 31.832 32.500 0.051 0.000 0.714 208 K HN 0.207 nan 8.250 nan 0.000 0.440 209 G N 0.732 109.538 108.800 0.011 0.000 2.442 209 G HA2 -0.284 3.677 3.960 0.001 0.000 0.219 209 G HA3 -0.284 3.677 3.960 0.001 0.000 0.219 209 G C 0.720 175.327 174.900 -0.489 0.000 1.141 209 G CA 0.916 45.964 45.100 -0.087 0.000 0.763 209 G HN 0.450 nan 8.290 nan 0.000 0.554 213 A N 0.055 122.647 122.820 -0.380 0.000 1.903 213 A HA -0.026 4.294 4.320 0.001 0.000 0.213 213 A C 1.931 179.461 177.584 -0.090 0.000 1.185 213 A CA 1.245 53.053 52.037 -0.382 0.000 0.628 213 A CB -0.428 17.975 19.000 -0.996 0.000 0.830 213 A HN 0.258 nan 8.150 nan 0.000 0.446 214 Y N -0.030 120.058 120.300 -0.354 0.000 2.343 214 Y HA 0.102 4.653 4.550 0.001 0.000 0.294 214 Y C 1.946 177.731 175.900 -0.190 0.000 1.122 214 Y CA 0.302 58.272 58.100 -0.216 0.000 1.173 214 Y CB 0.074 38.248 38.460 -0.476 0.000 1.077 214 Y HN 0.157 nan 8.280 nan 0.000 0.542 215 I N 1.435 121.828 120.570 -0.294 0.000 2.208 215 I HA -0.186 3.985 4.170 0.001 0.000 0.245 215 I C -0.532 175.444 176.117 -0.235 0.000 1.097 215 I CA 1.345 62.473 61.300 -0.285 0.000 1.363 215 I CB -2.528 35.369 38.000 -0.171 0.000 1.051 215 I HN 0.174 nan 8.210 nan 0.000 0.413 216 P HA -0.113 nan 4.420 nan 0.000 0.216 216 P C 2.161 179.390 177.300 -0.119 0.000 1.150 216 P CA 1.388 64.421 63.100 -0.113 0.000 0.837 216 P CB 0.030 31.686 31.700 -0.073 0.000 0.786 217 I N -1.301 119.180 120.570 -0.149 0.000 2.202 217 I HA -0.198 3.973 4.170 0.001 0.000 0.242 217 I C 2.203 178.196 176.117 -0.207 0.000 1.091 217 I CA 1.237 62.454 61.300 -0.140 0.000 1.368 217 I CB -0.807 37.135 38.000 -0.097 0.000 1.058 217 I HN -0.182 nan 8.210 nan 0.000 0.410 218 V N 1.206 120.890 119.914 -0.384 0.000 2.287 218 V HA -0.356 3.765 4.120 0.001 0.000 0.248 218 V C 2.328 178.324 176.094 -0.163 0.000 1.053 218 V CA 2.371 64.475 62.300 -0.326 0.000 1.027 218 V CB -0.991 30.573 31.823 -0.431 0.000 0.646 218 V HN 0.560 nan 8.190 nan 0.000 0.447 219 N N 0.185 118.798 118.700 -0.145 0.000 2.104 219 N HA -0.245 4.496 4.740 0.001 0.000 0.190 219 N C 2.143 177.618 175.510 -0.058 0.000 1.024 219 N CA 1.803 54.803 53.050 -0.084 0.000 0.853 219 N CB -0.095 38.347 38.487 -0.075 0.000 1.008 219 N HN 0.428 nan 8.380 nan 0.000 0.424 220 R N -0.041 120.424 120.500 -0.059 0.000 2.148 220 R HA 0.050 4.391 4.340 0.001 0.000 0.223 220 R C 1.270 177.556 176.300 -0.023 0.000 1.088 220 R CA 0.829 56.908 56.100 -0.034 0.000 0.985 220 R CB 0.221 30.505 30.300 -0.028 0.000 0.880 220 R HN 0.140 nan 8.270 nan 0.000 0.451 221 R N 0.029 120.515 120.500 -0.024 0.000 2.344 221 R HA 0.039 4.380 4.340 0.001 0.000 0.209 221 R C 1.706 178.023 176.300 0.027 0.000 0.886 221 R CA 0.485 56.590 56.100 0.009 0.000 1.040 221 R CB 0.021 30.342 30.300 0.034 0.000 1.114 221 R HN 0.291 nan 8.270 nan 0.000 0.547 222 K N 0.628 121.031 120.400 0.005 0.000 2.211 222 K HA -0.087 4.234 4.320 0.001 0.000 0.204 222 K C 0.644 177.278 176.600 0.056 0.000 1.047 222 K CA 1.762 58.063 56.287 0.023 0.000 0.935 222 K CB -0.213 32.285 32.500 -0.003 0.000 0.728 222 K HN 0.132 nan 8.250 nan 0.000 0.452 223 N N 0.601 119.324 118.700 0.037 0.000 2.270 223 N HA 0.029 4.769 4.740 0.001 0.000 0.198 223 N C -0.811 174.721 175.510 0.036 0.000 1.117 223 N CA -0.193 52.882 53.050 0.041 0.000 0.845 223 N CB 0.716 39.211 38.487 0.013 0.000 0.980 223 N HN 0.086 nan 8.380 nan 0.000 0.486 224 T N 2.931 117.505 114.554 0.033 0.000 2.902 224 T HA 0.083 4.434 4.350 0.001 0.000 0.301 224 T C -2.329 172.404 174.700 0.055 0.000 1.012 224 T CA -0.824 61.248 62.100 -0.046 0.000 1.151 224 T CB 0.729 69.467 68.868 -0.216 0.000 0.946 224 T HN 0.010 nan 8.240 nan 0.000 0.542 225 P HA 0.264 nan 4.420 nan 0.000 0.269 225 P C -1.002 176.384 177.300 0.143 0.000 1.209 225 P CA -0.225 62.881 63.100 0.009 0.000 0.776 225 P CB 0.194 31.862 31.700 -0.054 0.000 0.876 226 Y N -1.614 118.717 120.300 0.051 0.000 2.625 226 Y HA 0.777 5.328 4.550 0.001 0.000 0.338 226 Y C -0.557 175.360 175.900 0.029 0.000 1.123 226 Y CA -1.145 57.010 58.100 0.092 0.000 1.046 226 Y CB 0.705 39.242 38.460 0.128 0.000 1.299 226 Y HN 0.461 nan 8.280 nan 0.000 0.464 227 T N -2.165 112.492 114.554 0.170 0.000 2.940 227 T HA 0.354 4.705 4.350 0.001 0.000 0.288 227 T C 0.329 175.123 174.700 0.157 0.000 1.045 227 T CA -0.711 61.432 62.100 0.070 0.000 1.018 227 T CB 1.872 70.775 68.868 0.059 0.000 1.151 227 T HN 0.756 nan 8.240 nan 0.000 0.529 228 E N 0.322 120.577 120.200 0.093 0.000 2.153 228 E HA -0.146 4.204 4.350 0.001 0.000 0.194 228 E C 1.975 178.654 176.600 0.131 0.000 0.988 228 E CA 1.251 57.716 56.400 0.108 0.000 0.811 228 E CB -0.080 29.658 29.700 0.063 0.000 0.746 228 E HN 0.633 nan 8.360 nan 0.000 0.466 229 Q N 0.501 120.380 119.800 0.132 0.000 2.119 229 Q HA -0.116 4.225 4.340 0.001 0.000 0.201 229 Q C 2.053 178.194 176.000 0.235 0.000 0.972 229 Q CA 1.168 57.071 55.803 0.166 0.000 0.847 229 Q CB -0.130 28.689 28.738 0.135 0.000 0.903 229 Q HN 0.331 nan 8.270 nan 0.000 0.433 230 Q N -0.637 119.294 119.800 0.219 0.000 2.172 230 Q HA -0.069 4.272 4.340 0.001 0.000 0.200 230 Q C 2.012 178.178 176.000 0.277 0.000 0.964 230 Q CA 1.135 57.115 55.803 0.295 0.000 0.855 230 Q CB 0.094 28.857 28.738 0.042 0.000 0.918 230 Q HN 0.216 nan 8.270 nan 0.000 0.444 231 V N 1.115 121.128 119.914 0.165 0.000 2.427 231 V HA -0.265 3.856 4.120 0.001 0.000 0.248 231 V C 2.144 178.251 176.094 0.022 0.000 1.051 231 V CA 1.991 64.314 62.300 0.039 0.000 1.048 231 V CB -0.467 31.392 31.823 0.059 0.000 0.666 231 V HN 0.402 nan 8.190 nan 0.000 0.456 232 E N -0.226 120.044 120.200 0.117 0.000 2.058 232 E HA -0.288 4.063 4.350 0.001 0.000 0.194 232 E C 2.090 178.839 176.600 0.247 0.000 0.997 232 E CA 1.838 58.324 56.400 0.144 0.000 0.801 232 E CB -0.247 29.598 29.700 0.242 0.000 0.746 232 E HN 0.535 nan 8.360 nan 0.000 0.450 233 F N 1.856 121.928 119.950 0.203 0.000 2.069 233 F HA -0.246 4.282 4.527 0.001 0.000 0.298 233 F C 2.460 178.289 175.800 0.049 0.000 1.113 233 F CA 2.250 60.393 58.000 0.239 0.000 1.214 233 F CB -0.654 38.506 39.000 0.266 0.000 0.978 233 F HN 0.079 nan 8.300 nan 0.000 0.474 234 Q N 0.267 119.954 119.800 -0.188 0.000 2.112 234 Q HA -0.280 4.061 4.340 0.001 0.000 0.206 234 Q C 2.093 177.751 176.000 -0.570 0.000 0.987 234 Q CA 2.392 57.834 55.803 -0.602 0.000 0.858 234 Q CB -0.328 28.039 28.738 -0.619 0.000 0.905 234 Q HN 0.639 nan 8.270 nan 0.000 0.420 235 E N -0.704 119.232 120.200 -0.441 0.000 2.106 235 E HA -0.143 4.207 4.350 0.001 0.000 0.192 235 E C 1.824 178.014 176.600 -0.685 0.000 0.984 235 E CA 0.897 56.983 56.400 -0.524 0.000 0.806 235 E CB -0.107 29.301 29.700 -0.487 0.000 0.750 235 E HN 0.349 nan 8.360 nan 0.000 0.458 236 F N 1.074 120.595 119.950 -0.714 0.000 2.134 236 F HA -0.133 4.395 4.527 0.001 0.000 0.299 236 F C 2.453 177.738 175.800 -0.860 0.000 1.097 236 F CA 0.970 58.335 58.000 -1.058 0.000 1.264 236 F CB -0.026 37.834 39.000 -1.901 0.000 1.001 236 F HN -0.131 nan 8.300 nan 0.000 0.479 237 R N 0.344 120.540 120.500 -0.506 0.000 2.096 237 R HA -0.087 4.254 4.340 0.001 0.000 0.235 237 R C 2.155 178.367 176.300 -0.147 0.000 1.127 237 R CA 1.025 56.963 56.100 -0.270 0.000 0.968 237 R CB -0.802 29.352 30.300 -0.244 0.000 0.861 237 R HN 0.306 nan 8.270 nan 0.000 0.440 238 R N -0.433 119.918 120.500 -0.247 0.000 2.189 238 R HA -0.036 4.305 4.340 0.001 0.000 0.223 238 R C 2.234 178.360 176.300 -0.290 0.000 1.092 238 R CA 0.965 56.937 56.100 -0.213 0.000 0.989 238 R CB -0.396 29.694 30.300 -0.350 0.000 0.876 238 R HN 0.304 nan 8.270 nan 0.000 0.457 239 G N 1.139 109.577 108.800 -0.602 0.000 2.442 239 G HA2 -0.255 3.705 3.960 0.001 0.000 0.219 239 G HA3 -0.255 3.705 3.960 0.001 0.000 0.219 239 G C 1.398 176.259 174.900 -0.065 0.000 1.141 239 G CA 0.302 44.867 45.100 -0.891 0.000 0.763 239 G HN 0.150 nan 8.290 nan 0.000 0.554 240 R N -0.667 119.832 120.500 -0.003 0.000 2.096 240 R HA -0.061 4.279 4.340 0.001 0.000 0.235 240 R C 2.175 178.590 176.300 0.192 0.000 1.127 240 R CA 0.993 57.180 56.100 0.145 0.000 0.968 240 R CB -1.001 29.357 30.300 0.096 0.000 0.861 240 R HN 0.530 nan 8.270 nan 0.000 0.440 241 Y N 1.311 121.643 120.300 0.054 0.000 2.163 241 Y HA -0.187 4.363 4.550 0.001 0.000 0.288 241 Y C 2.416 178.421 175.900 0.176 0.000 1.136 241 Y CA 1.550 59.711 58.100 0.101 0.000 1.147 241 Y CB -0.353 38.153 38.460 0.077 0.000 0.987 241 Y HN 0.104 nan 8.280 nan 0.000 0.509 242 A N 0.081 123.079 122.820 0.297 0.000 1.908 242 A HA -0.249 4.072 4.320 0.001 0.000 0.218 242 A C 2.080 179.820 177.584 0.260 0.000 1.181 242 A CA 2.054 54.263 52.037 0.286 0.000 0.627 242 A CB -0.782 18.438 19.000 0.366 0.000 0.818 242 A HN 0.610 nan 8.150 nan 0.000 0.445 243 E N -1.480 118.919 120.200 0.331 0.000 2.058 243 E HA -0.215 4.135 4.350 0.001 0.000 0.194 243 E C 1.795 178.484 176.600 0.148 0.000 0.997 243 E CA 1.458 58.016 56.400 0.264 0.000 0.801 243 E CB -0.309 29.606 29.700 0.359 0.000 0.746 243 E HN 0.692 nan 8.360 nan 0.000 0.450 244 F N 2.281 122.228 119.950 -0.005 0.000 2.095 244 F HA -0.232 4.295 4.527 0.001 0.000 0.298 244 F C 1.903 177.642 175.800 -0.101 0.000 1.104 244 F CA 1.568 59.511 58.000 -0.096 0.000 1.232 244 F CB -0.118 38.772 39.000 -0.184 0.000 0.987 244 F HN -0.055 nan 8.300 nan 0.000 0.475 245 N N 0.495 119.232 118.700 0.062 0.000 2.188 245 N HA -0.120 4.621 4.740 0.001 0.000 0.184 245 N C 1.891 177.365 175.510 -0.059 0.000 1.018 245 N CA 1.585 54.646 53.050 0.018 0.000 0.858 245 N CB -0.459 38.071 38.487 0.072 0.000 0.989 245 N HN 0.367 nan 8.380 nan 0.000 0.426 246 L N -0.466 120.736 121.223 -0.035 0.000 2.249 246 L HA 0.077 4.417 4.340 0.001 0.000 0.207 246 L C 1.811 178.616 176.870 -0.108 0.000 1.090 246 L CA 0.370 55.181 54.840 -0.048 0.000 0.802 246 L CB 0.069 42.125 42.059 -0.004 0.000 0.947 246 L HN -0.051 nan 8.230 nan 0.000 0.453 247 V N -0.805 119.028 119.914 -0.134 0.000 2.685 247 V HA -0.006 4.114 4.120 0.001 0.000 0.244 247 V C 1.932 177.877 176.094 -0.250 0.000 1.054 247 V CA 0.880 63.088 62.300 -0.153 0.000 1.076 247 V CB 0.471 32.258 31.823 -0.061 0.000 0.725 247 V HN 0.200 nan 8.190 nan 0.000 0.467 248 I N -0.594 119.709 120.570 -0.445 0.000 3.565 248 I HA 0.189 4.360 4.170 0.001 0.000 0.287 248 I C 0.774 176.480 176.117 -0.685 0.000 1.193 248 I CA 0.317 61.229 61.300 -0.647 0.000 1.402 248 I CB -0.418 36.969 38.000 -1.022 0.000 1.284 248 I HN 0.310 nan 8.210 nan 0.000 0.454 249 D N 2.056 122.013 120.400 -0.740 0.000 2.472 249 D HA -0.075 4.565 4.640 0.001 0.000 0.248 249 D C 1.484 177.712 176.300 -0.118 0.000 1.174 249 D CA 0.384 54.196 54.000 -0.313 0.000 0.883 249 D CB 0.930 41.717 40.800 -0.021 0.000 1.149 249 D HN 0.010 nan 8.370 nan 0.000 0.488 250 R N 2.724 123.252 120.500 0.047 0.000 2.075 250 R HA -0.052 4.289 4.340 0.001 0.000 0.232 250 R C 2.104 178.444 176.300 0.067 0.000 1.126 250 R CA 1.471 57.547 56.100 -0.039 0.000 0.963 250 R CB -0.352 30.049 30.300 0.170 0.000 0.858 250 R HN 0.617 nan 8.270 nan 0.000 0.435 251 G N -0.492 108.453 108.800 0.241 0.000 2.446 251 G HA2 -0.261 3.700 3.960 0.001 0.000 0.217 251 G HA3 -0.261 3.700 3.960 0.001 0.000 0.217 251 G C 1.312 176.322 174.900 0.184 0.000 1.168 251 G CA 1.359 46.621 45.100 0.270 0.000 0.771 251 G HN 0.353 nan 8.290 nan 0.000 0.551 252 T N 0.649 115.270 114.554 0.111 0.000 2.652 252 T HA -0.097 4.254 4.350 0.001 0.000 0.267 252 T C 2.328 177.035 174.700 0.013 0.000 1.039 252 T CA 1.593 63.729 62.100 0.061 0.000 1.153 252 T CB -0.197 68.692 68.868 0.035 0.000 0.863 252 T HN 0.278 nan 8.240 nan 0.000 0.428 253 K N 0.008 120.364 120.400 -0.074 0.000 2.044 253 K HA -0.094 4.227 4.320 0.001 0.000 0.210 253 K C 2.033 178.575 176.600 -0.096 0.000 1.049 253 K CA 1.533 57.727 56.287 -0.156 0.000 0.927 253 K CB -0.342 31.964 32.500 -0.324 0.000 0.713 253 K HN 0.201 nan 8.250 nan 0.000 0.443 254 F N 0.311 120.265 119.950 0.007 0.000 2.102 254 F HA -0.120 4.407 4.527 0.001 0.000 0.298 254 F C 2.515 178.319 175.800 0.006 0.000 1.105 254 F CA 1.578 59.582 58.000 0.006 0.000 1.239 254 F CB -1.234 37.776 39.000 0.016 0.000 0.991 254 F HN 0.148 nan 8.300 nan 0.000 0.474 255 G N 0.006 108.931 108.800 0.208 0.000 2.440 255 G HA2 -0.213 3.747 3.960 0.001 0.000 0.218 255 G HA3 -0.213 3.747 3.960 0.001 0.000 0.218 255 G C 1.772 176.712 174.900 0.066 0.000 1.154 255 G CA 0.963 46.133 45.100 0.117 0.000 0.767 255 G HN 0.343 nan 8.290 nan 0.000 0.552 256 L N 0.669 121.918 121.223 0.044 0.000 2.156 256 L HA -0.045 4.296 4.340 0.001 0.000 0.208 256 L C 3.082 179.961 176.870 0.015 0.000 1.095 256 L CA 1.407 56.254 54.840 0.012 0.000 0.770 256 L CB -0.343 41.712 42.059 -0.007 0.000 0.914 256 L HN 0.475 nan 8.230 nan 0.000 0.439 257 Q N -0.455 119.366 119.800 0.034 0.000 2.424 257 Q HA -0.044 4.297 4.340 0.001 0.000 0.204 257 Q C 1.634 177.667 176.000 0.055 0.000 0.933 257 Q CA 1.117 56.941 55.803 0.035 0.000 0.929 257 Q CB 0.059 28.815 28.738 0.029 0.000 1.037 257 Q HN 0.410 nan 8.270 nan 0.000 0.511 258 S N -0.895 114.848 115.700 0.073 0.000 2.554 258 S HA 0.427 4.898 4.470 0.001 0.000 0.226 258 S C 1.126 175.753 174.600 0.044 0.000 0.980 258 S CA 0.100 58.338 58.200 0.062 0.000 0.939 258 S CB 0.649 63.893 63.200 0.073 0.000 0.832 258 S HN 0.663 nan 8.310 nan 0.000 0.486 259 G N 0.492 109.310 108.800 0.030 0.000 2.142 259 G HA2 -0.069 3.891 3.960 0.001 0.000 0.225 259 G HA3 -0.069 3.891 3.960 0.001 0.000 0.225 259 G C 0.462 175.365 174.900 0.005 0.000 1.015 259 G CA -0.258 44.851 45.100 0.015 0.000 0.716 259 G HN 1.041 nan 8.290 nan 0.000 0.508 260 G N -0.854 107.948 108.800 0.004 0.000 2.684 260 G HA2 0.450 4.411 3.960 0.001 0.000 0.255 260 G HA3 0.450 4.411 3.960 0.001 0.000 0.255 260 G C 0.314 175.139 174.900 -0.126 0.000 1.219 260 G CA -0.155 44.928 45.100 -0.029 0.000 0.901 260 G HN 0.614 nan 8.290 nan 0.000 0.548 261 R N 0.044 120.380 120.500 -0.272 0.000 2.248 261 R HA 0.204 4.544 4.340 0.001 0.000 0.337 261 R C 1.491 177.636 176.300 -0.260 0.000 1.085 261 R CA 0.022 55.873 56.100 -0.415 0.000 0.934 261 R CB -0.069 29.650 30.300 -0.968 0.000 1.034 261 R HN 0.538 nan 8.270 nan 0.000 0.465 262 T N 2.784 117.238 114.554 -0.166 0.000 2.635 262 T HA -0.167 4.184 4.350 0.001 0.000 0.267 262 T C 1.157 175.810 174.700 -0.079 0.000 1.040 262 T CA 1.378 63.422 62.100 -0.093 0.000 1.156 262 T CB 0.014 68.842 68.868 -0.066 0.000 0.863 262 T HN 0.591 nan 8.240 nan 0.000 0.430 263 E N 0.869 121.009 120.200 -0.100 0.000 2.208 263 E HA -0.003 4.347 4.350 0.001 0.000 0.193 263 E C 2.574 179.147 176.600 -0.046 0.000 0.988 263 E CA 0.571 56.937 56.400 -0.058 0.000 0.828 263 E CB -0.245 29.423 29.700 -0.054 0.000 0.763 263 E HN 0.394 nan 8.360 nan 0.000 0.478 264 S N 0.961 116.593 115.700 -0.113 0.000 2.368 264 S HA -0.044 4.426 4.470 0.001 0.000 0.224 264 S C 2.138 176.746 174.600 0.013 0.000 1.029 264 S CA 0.584 58.753 58.200 -0.052 0.000 0.988 264 S CB -0.112 63.002 63.200 -0.143 0.000 0.838 264 S HN 0.190 nan 8.310 nan 0.000 0.462 265 I N 1.294 121.856 120.570 -0.013 0.000 2.226 265 I HA -0.125 4.046 4.170 0.001 0.000 0.245 265 I C 1.400 177.556 176.117 0.065 0.000 1.100 265 I CA 1.187 62.508 61.300 0.037 0.000 1.374 265 I CB -0.221 37.790 38.000 0.018 0.000 1.057 265 I HN 0.197 nan 8.210 nan 0.000 0.413 266 L N 1.006 122.259 121.223 0.049 0.000 2.629 266 L HA 0.080 4.420 4.340 0.001 0.000 0.230 266 L C 2.147 179.078 176.870 0.102 0.000 1.151 266 L CA -0.056 54.828 54.840 0.074 0.000 0.924 266 L CB -0.317 41.771 42.059 0.049 0.000 1.137 266 L HN 0.322 nan 8.230 nan 0.000 0.457 267 I N -2.630 118.004 120.570 0.106 0.000 2.530 267 I HA -0.232 3.939 4.170 0.001 0.000 0.257 267 I C 2.552 178.779 176.117 0.184 0.000 1.179 267 I CA 1.554 62.934 61.300 0.133 0.000 1.440 267 I CB -0.494 37.586 38.000 0.133 0.000 1.087 267 I HN 0.268 nan 8.210 nan 0.000 0.440 268 S N 1.569 117.391 115.700 0.205 0.000 2.442 268 S HA 0.019 4.490 4.470 0.001 0.000 0.236 268 S C 0.993 175.854 174.600 0.435 0.000 1.007 268 S CA 0.259 58.638 58.200 0.299 0.000 0.965 268 S CB -1.017 62.345 63.200 0.269 0.000 0.773 268 S HN 0.496 nan 8.310 nan 0.000 0.504 269 L N 3.123 124.521 121.223 0.291 0.000 2.439 269 L HA 0.324 4.664 4.340 0.001 0.000 0.269 269 L C -2.011 174.933 176.870 0.123 0.000 1.179 269 L CA -2.144 52.837 54.840 0.236 0.000 0.828 269 L CB 0.086 42.231 42.059 0.144 0.000 1.106 269 L HN 0.117 nan 8.230 nan 0.000 0.467 270 P HA 0.119 nan 4.420 nan 0.000 0.274 270 P C -2.239 174.919 177.300 -0.236 0.000 1.237 270 P CA -1.438 61.360 63.100 -0.502 0.000 0.793 270 P CB 0.257 31.645 31.700 -0.519 0.000 0.977 271 P HA -0.038 nan 4.420 nan 0.000 0.217 271 P C 0.114 177.330 177.300 -0.139 0.000 1.151 271 P CA 1.498 64.523 63.100 -0.124 0.000 0.828 271 P CB 0.449 32.088 31.700 -0.103 0.000 0.788 272 R N -0.753 119.622 120.500 -0.208 0.000 2.604 272 R HA 0.742 5.083 4.340 0.001 0.000 0.281 272 R C -1.123 174.982 176.300 -0.326 0.000 1.020 272 R CA -0.624 55.343 56.100 -0.222 0.000 0.899 272 R CB 2.566 32.742 30.300 -0.206 0.000 1.205 272 R HN -0.036 nan 8.270 nan 0.000 0.450 273 A N 2.574 125.176 122.820 -0.363 0.000 2.498 273 A HA 0.774 5.095 4.320 0.001 0.000 0.298 273 A C -0.946 176.223 177.584 -0.692 0.000 1.075 273 A CA -0.847 50.829 52.037 -0.603 0.000 0.714 273 A CB 1.633 20.203 19.000 -0.716 0.000 1.299 273 A HN 0.686 nan 8.150 nan 0.000 0.407 274 R N 0.487 120.390 120.500 -0.995 0.000 2.803 274 R HA 0.585 4.925 4.340 0.001 0.000 0.276 274 R C -1.620 174.074 176.300 -1.011 0.000 0.978 274 R CA -0.534 54.955 56.100 -1.018 0.000 0.939 274 R CB 1.915 31.198 30.300 -1.695 0.000 1.179 274 R HN 0.742 nan 8.270 nan 0.000 0.472 275 W N 0.560 121.689 121.300 -0.284 0.000 2.883 275 W HA 0.520 5.181 4.660 0.001 0.000 0.335 275 W C -0.434 176.210 176.519 0.208 0.000 1.083 275 W CA -0.826 56.528 57.345 0.016 0.000 1.233 275 W CB 2.468 31.945 29.460 0.029 0.000 1.412 275 W HN 0.766 nan 8.180 nan 0.000 0.490 276 G N 1.626 110.785 108.800 0.598 0.000 2.591 276 G HA2 0.406 4.367 3.960 0.001 0.000 0.306 276 G HA3 0.406 4.367 3.960 0.001 0.000 0.306 276 G C -2.095 173.073 174.900 0.446 0.000 1.334 276 G CA -0.768 44.643 45.100 0.519 0.000 0.981 276 G HN 0.341 nan 8.290 nan 0.000 0.491 277 Y N 2.317 122.773 120.300 0.259 0.000 2.650 277 Y HA 0.075 4.625 4.550 0.001 0.000 0.331 277 Y C 1.178 177.191 175.900 0.188 0.000 1.165 277 Y CA 0.476 58.692 58.100 0.194 0.000 1.473 277 Y CB 0.305 38.843 38.460 0.130 0.000 1.224 277 Y HN 0.670 nan 8.280 nan 0.000 0.533 278 N N 3.421 121.836 118.700 -0.475 0.000 2.714 278 N HA -0.312 4.428 4.740 0.001 0.000 0.250 278 N C -0.990 174.469 175.510 -0.086 0.000 1.117 278 N CA 1.062 53.891 53.050 -0.368 0.000 0.719 278 N CB -1.559 36.602 38.487 -0.542 0.000 1.081 278 N HN 0.817 nan 8.380 nan 0.000 0.557 279 W N 2.277 123.519 121.300 -0.097 0.000 2.322 279 W HA 0.213 4.874 4.660 0.001 0.000 0.328 279 W C 0.622 177.071 176.519 -0.116 0.000 1.395 279 W CA 0.143 57.406 57.345 -0.137 0.000 1.267 279 W CB 0.237 29.576 29.460 -0.201 0.000 1.259 279 W HN 0.216 nan 8.180 nan 0.000 0.560 280 Q N 6.867 125.975 119.800 -1.153 0.000 2.418 280 Q HA 0.572 4.912 4.340 0.001 0.000 0.282 280 Q C -2.694 172.508 176.000 -1.329 0.000 1.044 280 Q CA -2.207 52.865 55.803 -1.218 0.000 0.813 280 Q CB 2.192 30.618 28.738 -0.520 0.000 1.428 280 Q HN 0.240 nan 8.270 nan 0.000 0.402 281 P HA 0.059 nan 4.420 nan 0.000 0.272 281 P C -0.628 176.487 177.300 -0.308 0.000 1.240 281 P CA -0.144 62.672 63.100 -0.473 0.000 0.791 281 P CB 0.601 32.168 31.700 -0.221 0.000 0.978 282 E N 1.727 121.813 120.200 -0.191 0.000 2.392 282 E HA 0.133 4.483 4.350 0.001 0.000 0.264 282 E C -1.841 174.698 176.600 -0.102 0.000 1.024 282 E CA -1.458 54.865 56.400 -0.127 0.000 0.903 282 E CB -0.529 29.127 29.700 -0.074 0.000 0.963 282 E HN 0.391 nan 8.360 nan 0.000 0.432 283 P HA 0.028 nan 4.420 nan 0.000 0.271 283 P C 0.564 177.842 177.300 -0.038 0.000 1.218 283 P CA 0.243 63.308 63.100 -0.057 0.000 0.780 283 P CB 0.553 32.224 31.700 -0.048 0.000 0.901 284 G N 1.159 109.945 108.800 -0.025 0.000 2.153 284 G HA2 -0.200 3.761 3.960 0.001 0.000 0.252 284 G HA3 -0.200 3.761 3.960 0.001 0.000 0.252 284 G C 0.264 175.160 174.900 -0.007 0.000 0.994 284 G CA 0.549 45.641 45.100 -0.013 0.000 0.698 284 G HN 0.926 nan 8.290 nan 0.000 0.521 285 T N -3.241 111.304 114.554 -0.015 0.000 2.952 285 T HA 0.706 5.057 4.350 0.001 0.000 0.286 285 T C -1.000 173.707 174.700 0.012 0.000 1.024 285 T CA -1.216 60.878 62.100 -0.010 0.000 1.029 285 T CB 2.644 71.487 68.868 -0.043 0.000 1.094 285 T HN -0.121 nan 8.240 nan 0.000 0.515 286 P HA -0.053 nan 4.420 nan 0.000 0.218 286 P C 1.143 178.451 177.300 0.014 0.000 1.148 286 P CA 0.966 64.138 63.100 0.120 0.000 0.822 286 P CB 0.080 31.913 31.700 0.221 0.000 0.784 287 E N -0.139 119.943 120.200 -0.197 0.000 2.058 287 E HA -0.152 4.199 4.350 0.001 0.000 0.194 287 E C 2.178 178.633 176.600 -0.242 0.000 0.997 287 E CA 1.651 57.642 56.400 -0.682 0.000 0.801 287 E CB -1.182 27.918 29.700 -0.999 0.000 0.746 287 E HN 0.151 nan 8.360 nan 0.000 0.450 288 A N 0.623 123.377 122.820 -0.111 0.000 1.972 288 A HA -0.180 4.141 4.320 0.001 0.000 0.219 288 A C 2.103 179.737 177.584 0.083 0.000 1.169 288 A CA 1.598 53.626 52.037 -0.015 0.000 0.635 288 A CB -0.449 18.529 19.000 -0.036 0.000 0.810 288 A HN 0.105 nan 8.150 nan 0.000 0.446 289 R N -0.842 119.734 120.500 0.126 0.000 2.193 289 R HA -0.100 4.240 4.340 0.001 0.000 0.229 289 R C 1.897 178.453 176.300 0.426 0.000 1.110 289 R CA 1.138 57.385 56.100 0.245 0.000 0.988 289 R CB -0.391 30.072 30.300 0.271 0.000 0.871 289 R HN 0.467 nan 8.270 nan 0.000 0.458 290 L N 0.373 121.817 121.223 0.369 0.000 1.970 290 L HA -0.205 4.136 4.340 0.001 0.000 0.212 290 L C 2.163 179.230 176.870 0.328 0.000 1.071 290 L CA 2.646 57.721 54.840 0.391 0.000 0.751 290 L CB -0.897 41.324 42.059 0.270 0.000 0.889 290 L HN 0.357 nan 8.230 nan 0.000 0.432 291 T N -4.110 110.582 114.554 0.230 0.000 2.942 291 T HA -0.056 4.294 4.350 0.001 0.000 0.265 291 T C 1.672 176.458 174.700 0.144 0.000 1.062 291 T CA 1.028 63.226 62.100 0.165 0.000 1.139 291 T CB -0.465 68.473 68.868 0.117 0.000 0.883 291 T HN 0.468 nan 8.240 nan 0.000 0.468 292 E N -0.332 119.958 120.200 0.149 0.000 2.107 292 E HA -0.009 4.342 4.350 0.001 0.000 0.191 292 E C 1.603 178.299 176.600 0.161 0.000 0.982 292 E CA 1.039 57.514 56.400 0.124 0.000 0.809 292 E CB -0.040 29.719 29.700 0.099 0.000 0.756 292 E HN 0.666 nan 8.360 nan 0.000 0.459 293 Y N -1.106 119.218 120.300 0.040 0.000 2.817 293 Y HA 0.102 4.652 4.550 0.001 0.000 0.257 293 Y C 1.590 177.481 175.900 -0.015 0.000 1.055 293 Y CA 0.104 58.162 58.100 -0.070 0.000 1.319 293 Y CB -0.346 37.976 38.460 -0.230 0.000 1.481 293 Y HN -0.155 nan 8.280 nan 0.000 0.471 294 F N 1.065 121.046 119.950 0.051 0.000 2.102 294 F HA -0.180 4.348 4.527 0.001 0.000 0.298 294 F C 2.133 177.999 175.800 0.109 0.000 1.105 294 F CA 1.792 59.829 58.000 0.061 0.000 1.239 294 F CB -0.594 38.539 39.000 0.221 0.000 0.991 294 F HN 0.053 nan 8.300 nan 0.000 0.474 295 L N -0.465 120.923 121.223 0.275 0.000 2.395 295 L HA -0.082 4.259 4.340 0.001 0.000 0.218 295 L C 1.995 178.951 176.870 0.144 0.000 1.130 295 L CA 1.508 56.474 54.840 0.210 0.000 0.826 295 L CB -0.908 41.254 42.059 0.172 0.000 0.941 295 L HN 0.299 nan 8.230 nan 0.000 0.451 296 T N -5.031 109.556 114.554 0.054 0.000 3.023 296 T HA 0.014 4.365 4.350 0.001 0.000 0.253 296 T C 1.632 176.265 174.700 -0.111 0.000 1.038 296 T CA -0.224 61.879 62.100 0.003 0.000 0.962 296 T CB 0.371 69.247 68.868 0.012 0.000 1.018 296 T HN 0.100 nan 8.240 nan 0.000 0.521 297 K N 1.309 121.557 120.400 -0.253 0.000 2.001 297 K HA -0.064 4.257 4.320 0.001 0.000 0.208 297 K C 1.563 177.913 176.600 -0.417 0.000 1.048 297 K CA 1.220 57.212 56.287 -0.492 0.000 0.932 297 K CB -0.033 31.860 32.500 -1.010 0.000 0.715 297 K HN 0.237 nan 8.250 nan 0.000 0.437 298 R N -1.589 118.726 120.500 -0.308 0.000 3.075 298 R HA -0.237 4.104 4.340 0.001 0.000 0.235 298 R C 0.036 176.129 176.300 -0.346 0.000 0.799 298 R CA 1.941 57.949 56.100 -0.152 0.000 1.783 298 R CB -1.306 28.958 30.300 -0.060 0.000 1.344 298 R HN 0.291 nan 8.270 nan 0.000 0.587 299 Q N 0.234 119.727 119.800 -0.512 0.000 2.389 299 Q HA 0.118 4.459 4.340 0.001 0.000 0.244 299 Q C -0.183 175.500 176.000 -0.529 0.000 1.056 299 Q CA 0.357 55.940 55.803 -0.367 0.000 0.908 299 Q CB 0.280 28.874 28.738 -0.239 0.000 1.273 299 Q HN 0.354 nan 8.270 nan 0.000 0.471 300 W N 3.125 124.384 121.300 -0.067 0.000 2.871 300 W HA 0.244 4.905 4.660 0.001 0.000 0.267 300 W C 0.287 176.849 176.519 0.072 0.000 1.180 300 W CA 0.121 57.455 57.345 -0.018 0.000 1.463 300 W CB 0.852 30.242 29.460 -0.116 0.000 0.966 300 W HN 0.465 nan 8.180 nan 0.000 0.605 301 V N 0.000 120.084 119.914 0.283 0.000 2.409 301 V HA 0.000 4.121 4.120 0.001 0.000 0.244 301 V CA 0.000 62.420 62.300 0.201 0.000 1.235 301 V CB 0.000 31.911 31.823 0.147 0.000 1.184 301 V HN 0.000 nan 8.190 nan 0.000 0.556