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 1r3t_1_A DATA FIRST_RESID 11 DATA SEQUENCE FPELKNDTFL RAAWGEETDY TPVWCMRQAG RYLPEFRETR AAQDFFSTCR DATA SEQUENCE SPEACCELTL QPLRRFPLDA AIIFSGILVV PQALGMEVTM VPGKGPSFPE DATA SEQUENCE PLREEQDLER LRDPEVVASE LGYVFQAITL TRQRLAGRVP LIGFAGAPWT DATA SEQUENCE LMTYMVEGGG SSTMAQAKRW LYQRPQASHQ LLRILTDALV PYLVGQVVAG DATA SEQUENCE AQALQLFESH AGHLGPQLFN KFALPYIRDV AKQVKARLRE AGLAPVPMII DATA SEQUENCE FAKDGHFALE ELAQAGYEVV GLDWTVAPKK ARECVGKTVT LQGNLDPCAL DATA SEQUENCE YASEEEIGQL VKQMLDDFGP HRYIANLGHG LYPDMDPEHV GAFVDAVHKH DATA SEQUENCE SRLLRQ 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 11 F HA 0.000 nan 4.527 nan 0.000 0.279 11 F C 0.000 175.808 175.800 0.013 0.000 0.967 11 F CA 0.000 58.007 58.000 0.012 0.000 1.383 11 F CB 0.000 39.008 39.000 0.014 0.000 1.145 12 P HA 0.107 nan 4.420 nan 0.000 0.267 12 P C -0.917 176.452 177.300 0.116 0.000 1.200 12 P CA -0.254 62.926 63.100 0.134 0.000 0.772 12 P CB 0.606 32.371 31.700 0.109 0.000 0.855 13 E N 1.460 121.708 120.200 0.080 0.000 2.360 13 E HA 0.095 4.445 4.350 -0.000 0.000 0.269 13 E C -0.471 176.164 176.600 0.057 0.000 1.022 13 E CA -0.721 55.719 56.400 0.066 0.000 0.887 13 E CB 0.377 30.107 29.700 0.050 0.000 0.990 13 E HN 0.257 nan 8.360 nan 0.000 0.426 14 L N 5.186 126.442 121.223 0.056 0.000 2.499 14 L HA -0.005 4.335 4.340 -0.000 0.000 0.273 14 L C 0.633 177.532 176.870 0.049 0.000 1.195 14 L CA 0.967 55.837 54.840 0.050 0.000 0.882 14 L CB 0.551 42.644 42.059 0.056 0.000 1.133 14 L HN 0.629 nan 8.230 nan 0.000 0.483 15 K N 2.567 122.995 120.400 0.047 0.000 2.172 15 K HA 0.094 4.413 4.320 -0.000 0.000 0.203 15 K C 0.244 176.878 176.600 0.056 0.000 1.040 15 K CA 0.408 56.722 56.287 0.046 0.000 0.974 15 K CB 0.103 32.627 32.500 0.040 0.000 0.857 15 K HN 0.561 nan 8.250 nan 0.000 0.464 16 N N 2.109 120.848 118.700 0.065 0.000 2.546 16 N HA -0.014 4.726 4.740 -0.000 0.000 0.238 16 N C -1.099 174.470 175.510 0.097 0.000 0.984 16 N CA -0.280 52.824 53.050 0.089 0.000 0.935 16 N CB 0.931 39.480 38.487 0.103 0.000 1.122 16 N HN 0.103 nan 8.380 nan 0.000 0.510 17 D N 1.612 122.067 120.400 0.092 0.000 2.463 17 D HA 0.072 4.712 4.640 -0.000 0.000 0.224 17 D C 0.441 176.797 176.300 0.094 0.000 1.174 17 D CA -0.128 53.934 54.000 0.103 0.000 0.829 17 D CB -0.150 40.703 40.800 0.089 0.000 0.993 17 D HN 0.320 nan 8.370 nan 0.000 0.497 18 T N 0.137 114.733 114.554 0.070 0.000 2.759 18 T HA -0.145 4.205 4.350 -0.000 0.000 0.269 18 T C 1.277 175.979 174.700 0.002 0.000 1.042 18 T CA 1.073 63.149 62.100 -0.039 0.000 1.140 18 T CB -0.510 68.226 68.868 -0.220 0.000 0.864 18 T HN 0.310 nan 8.240 nan 0.000 0.455 19 F N 1.653 121.575 119.950 -0.047 0.000 2.134 19 F HA -0.012 4.515 4.527 -0.000 0.000 0.299 19 F C 1.859 177.631 175.800 -0.047 0.000 1.097 19 F CA 1.078 59.050 58.000 -0.046 0.000 1.264 19 F CB -0.426 38.550 39.000 -0.040 0.000 1.001 19 F HN 0.056 nan 8.300 nan 0.000 0.479 20 L N -0.003 121.195 121.223 -0.041 0.000 2.027 20 L HA -0.173 4.167 4.340 -0.000 0.000 0.206 20 L C 2.698 179.576 176.870 0.013 0.000 1.074 20 L CA 1.391 56.180 54.840 -0.086 0.000 0.745 20 L CB -0.728 41.422 42.059 0.153 0.000 0.898 20 L HN 0.055 nan 8.230 nan 0.000 0.433 21 R N 0.155 120.691 120.500 0.060 0.000 2.083 21 R HA -0.173 4.167 4.340 -0.000 0.000 0.237 21 R C 2.440 178.750 176.300 0.017 0.000 1.137 21 R CA 1.470 57.620 56.100 0.084 0.000 0.951 21 R CB -0.617 29.704 30.300 0.034 0.000 0.851 21 R HN 0.359 nan 8.270 nan 0.000 0.434 22 A N 1.384 124.150 122.820 -0.090 0.000 1.908 22 A HA -0.154 4.166 4.320 -0.000 0.000 0.218 22 A C 2.405 179.882 177.584 -0.179 0.000 1.181 22 A CA 1.811 53.775 52.037 -0.121 0.000 0.627 22 A CB -0.675 18.226 19.000 -0.166 0.000 0.818 22 A HN 0.426 nan 8.150 nan 0.000 0.445 23 A N -1.671 120.927 122.820 -0.370 0.000 1.933 23 A HA -0.144 4.176 4.320 -0.000 0.000 0.218 23 A C 1.872 179.238 177.584 -0.364 0.000 1.175 23 A CA 1.225 52.966 52.037 -0.494 0.000 0.628 23 A CB -0.824 17.680 19.000 -0.828 0.000 0.814 23 A HN 0.769 nan 8.150 nan 0.000 0.444 24 W N -1.293 119.927 121.300 -0.134 0.000 3.180 24 W HA 0.360 5.020 4.660 -0.000 0.000 0.254 24 W C 1.554 178.041 176.519 -0.053 0.000 1.318 24 W CA 0.614 57.912 57.345 -0.078 0.000 1.608 24 W CB 0.245 29.663 29.460 -0.069 0.000 1.124 24 W HN 0.567 nan 8.180 nan 0.000 0.694 25 G N 0.620 109.491 108.800 0.118 0.000 2.131 25 G HA2 -0.270 3.690 3.960 -0.000 0.000 0.223 25 G HA3 -0.270 3.690 3.960 -0.000 0.000 0.223 25 G C -0.070 174.874 174.900 0.074 0.000 0.990 25 G CA -0.445 44.705 45.100 0.084 0.000 0.671 25 G HN 0.310 nan 8.290 nan 0.000 0.521 26 E N 0.058 120.305 120.200 0.078 0.000 2.349 26 E HA 0.486 4.836 4.350 -0.000 0.000 0.265 26 E C 0.354 176.982 176.600 0.047 0.000 1.064 26 E CA -0.551 55.879 56.400 0.051 0.000 0.886 26 E CB 0.825 30.554 29.700 0.048 0.000 1.036 26 E HN 0.343 nan 8.360 nan 0.000 0.413 27 E N 0.939 121.167 120.200 0.047 0.000 2.373 27 E HA 0.081 4.431 4.350 -0.000 0.000 0.267 27 E C -0.891 175.730 176.600 0.034 0.000 1.032 27 E CA 0.071 56.515 56.400 0.074 0.000 0.889 27 E CB 0.626 30.379 29.700 0.087 0.000 0.984 27 E HN 0.489 nan 8.360 nan 0.000 0.425 28 T N 0.666 115.230 114.554 0.017 0.000 2.901 28 T HA 0.308 4.658 4.350 -0.000 0.000 0.293 28 T C 0.072 174.760 174.700 -0.020 0.000 1.084 28 T CA -0.899 61.173 62.100 -0.047 0.000 1.008 28 T CB 1.226 69.995 68.868 -0.166 0.000 1.170 28 T HN 0.257 nan 8.240 nan 0.000 0.509 29 D N -0.274 120.119 120.400 -0.012 0.000 2.269 29 D HA 0.148 4.788 4.640 -0.000 0.000 0.208 29 D C 0.370 176.783 176.300 0.188 0.000 0.963 29 D CA 1.521 55.581 54.000 0.100 0.000 0.864 29 D CB -0.138 40.761 40.800 0.165 0.000 0.936 29 D HN 0.727 nan 8.370 nan 0.000 0.505 30 Y N -3.261 117.064 120.300 0.041 0.000 2.705 30 Y HA 0.526 5.076 4.550 -0.000 0.000 0.332 30 Y C -0.762 175.182 175.900 0.073 0.000 1.221 30 Y CA -1.336 56.797 58.100 0.055 0.000 1.059 30 Y CB 0.714 39.196 38.460 0.035 0.000 1.298 30 Y HN -0.452 nan 8.280 nan 0.000 0.459 31 T N 4.874 119.545 114.554 0.195 0.000 2.743 31 T HA 0.382 4.732 4.350 -0.000 0.000 0.293 31 T C -2.672 172.110 174.700 0.137 0.000 0.945 31 T CA -1.280 60.856 62.100 0.060 0.000 1.030 31 T CB 0.787 69.714 68.868 0.099 0.000 0.912 31 T HN 0.395 nan 8.240 nan 0.000 0.483 32 P HA 0.374 nan 4.420 nan 0.000 0.274 32 P C -0.863 176.513 177.300 0.127 0.000 1.231 32 P CA -0.441 62.769 63.100 0.182 0.000 0.790 32 P CB 1.097 32.883 31.700 0.143 0.000 0.951 33 V N 3.999 124.023 119.914 0.183 0.000 2.841 33 V HA 0.795 4.915 4.120 -0.000 0.000 0.310 33 V C -1.556 174.663 176.094 0.209 0.000 1.090 33 V CA -0.554 61.769 62.300 0.039 0.000 0.930 33 V CB 1.764 33.429 31.823 -0.264 0.000 1.014 33 V HN 0.797 nan 8.190 nan 0.000 0.425 34 W N 4.234 125.513 121.300 -0.035 0.000 3.047 34 W HA 0.781 5.441 4.660 -0.000 0.000 0.341 34 W C -2.011 174.509 176.519 0.001 0.000 1.225 34 W CA -1.370 55.954 57.345 -0.035 0.000 1.150 34 W CB 1.063 30.450 29.460 -0.122 0.000 1.470 34 W HN 0.647 nan 8.180 nan 0.000 0.578 35 C N 2.420 121.684 119.300 -0.061 0.000 2.369 35 C HA 0.507 4.967 4.460 -0.000 0.000 0.322 35 C C 0.684 175.493 174.990 -0.302 0.000 1.258 35 C CA -0.552 58.272 59.018 -0.323 0.000 1.487 35 C CB 0.680 28.300 27.740 -0.200 0.000 2.165 35 C HN 0.603 nan 8.230 nan 0.000 0.483 36 M N 2.659 121.930 119.600 -0.548 0.000 2.249 36 M HA 0.142 4.622 4.480 -0.000 0.000 0.340 36 M C 1.005 177.245 176.300 -0.099 0.000 1.166 36 M CA 0.906 56.074 55.300 -0.220 0.000 1.115 36 M CB 0.222 32.715 32.600 -0.179 0.000 1.606 36 M HN 0.754 nan 8.290 nan 0.000 0.448 37 R N 0.409 120.918 120.500 0.015 0.000 3.758 37 R HA -0.260 4.080 4.340 -0.000 0.000 0.299 37 R C 1.162 177.522 176.300 0.100 0.000 1.182 37 R CA 1.056 57.166 56.100 0.017 0.000 0.809 37 R CB -2.016 28.243 30.300 -0.069 0.000 1.249 37 R HN 0.868 nan 8.270 nan 0.000 0.497 38 Q N -0.350 119.555 119.800 0.174 0.000 2.181 38 Q HA -0.033 4.306 4.340 -0.000 0.000 0.205 38 Q C 0.726 176.963 176.000 0.396 0.000 0.980 38 Q CA 1.587 57.570 55.803 0.300 0.000 0.862 38 Q CB 0.159 29.081 28.738 0.307 0.000 0.905 38 Q HN 0.437 nan 8.270 nan 0.000 0.429 39 A N 0.967 123.969 122.820 0.304 0.000 2.316 39 A HA 0.645 4.965 4.320 -0.000 0.000 0.311 39 A C 0.045 177.668 177.584 0.064 0.000 1.339 39 A CA 0.209 52.419 52.037 0.289 0.000 0.960 39 A CB 0.506 19.761 19.000 0.425 0.000 1.152 39 A HN 0.428 nan 8.150 nan 0.000 0.547 40 G N 0.960 109.524 108.800 -0.393 0.000 2.550 40 G HA2 0.414 4.374 3.960 -0.000 0.000 0.293 40 G HA3 0.414 4.374 3.960 -0.000 0.000 0.293 40 G C 0.118 174.351 174.900 -1.112 0.000 1.402 40 G CA -0.824 43.718 45.100 -0.930 0.000 0.784 40 G HN 0.513 nan 8.290 nan 0.000 0.482 41 R N -0.859 119.195 120.500 -0.743 0.000 2.285 41 R HA -0.046 4.294 4.340 -0.000 0.000 0.213 41 R C 2.082 178.332 176.300 -0.082 0.000 1.068 41 R CA 1.622 57.567 56.100 -0.258 0.000 1.004 41 R CB -0.375 29.901 30.300 -0.041 0.000 0.873 41 R HN 0.684 nan 8.270 nan 0.000 0.467 42 Y N -0.227 120.002 120.300 -0.118 0.000 2.403 42 Y HA -0.006 4.544 4.550 -0.000 0.000 0.291 42 Y C 0.376 176.283 175.900 0.011 0.000 1.143 42 Y CA 0.173 58.254 58.100 -0.033 0.000 1.257 42 Y CB -0.209 38.228 38.460 -0.038 0.000 0.984 42 Y HN -0.137 nan 8.280 nan 0.000 0.550 43 L N 2.984 123.737 121.223 -0.783 0.000 2.281 43 L HA 0.216 4.556 4.340 -0.000 0.000 0.285 43 L C -1.525 175.263 176.870 -0.137 0.000 1.074 43 L CA -2.043 52.514 54.840 -0.472 0.000 0.817 43 L CB 1.086 42.854 42.059 -0.485 0.000 1.168 43 L HN -0.066 nan 8.230 nan 0.000 0.434 44 P HA -0.208 nan 4.420 nan 0.000 0.216 44 P C 1.231 178.522 177.300 -0.015 0.000 1.150 44 P CA 1.042 64.126 63.100 -0.025 0.000 0.837 44 P CB 0.126 31.808 31.700 -0.029 0.000 0.786 45 E N -0.744 119.434 120.200 -0.037 0.000 2.204 45 E HA -0.195 4.155 4.350 -0.000 0.000 0.194 45 E C 1.961 178.546 176.600 -0.024 0.000 0.989 45 E CA 0.929 57.304 56.400 -0.041 0.000 0.824 45 E CB -1.372 28.291 29.700 -0.061 0.000 0.756 45 E HN 0.288 nan 8.360 nan 0.000 0.477 46 F N 2.297 122.161 119.950 -0.144 0.000 2.113 46 F HA -0.026 4.501 4.527 -0.000 0.000 0.297 46 F C 2.542 178.278 175.800 -0.106 0.000 1.103 46 F CA 1.359 59.275 58.000 -0.140 0.000 1.248 46 F CB 0.055 38.971 39.000 -0.140 0.000 0.999 46 F HN -0.175 nan 8.300 nan 0.000 0.475 47 R N 0.172 120.785 120.500 0.188 0.000 2.081 47 R HA -0.224 4.116 4.340 -0.000 0.000 0.235 47 R C 2.191 178.463 176.300 -0.047 0.000 1.131 47 R CA 1.833 57.988 56.100 0.093 0.000 0.960 47 R CB -0.659 29.699 30.300 0.096 0.000 0.856 47 R HN 0.412 nan 8.270 nan 0.000 0.436 48 E N 0.237 120.405 120.200 -0.053 0.000 2.058 48 E HA -0.176 4.174 4.350 -0.000 0.000 0.194 48 E C 1.615 178.141 176.600 -0.124 0.000 0.997 48 E CA 2.066 58.421 56.400 -0.074 0.000 0.801 48 E CB -0.041 29.622 29.700 -0.061 0.000 0.746 48 E HN 0.138 nan 8.360 nan 0.000 0.450 49 T N 0.392 114.833 114.554 -0.188 0.000 2.777 49 T HA -0.042 4.308 4.350 -0.000 0.000 0.266 49 T C 1.747 176.274 174.700 -0.287 0.000 1.040 49 T CA 1.012 62.967 62.100 -0.242 0.000 1.141 49 T CB -0.107 68.576 68.868 -0.308 0.000 0.868 49 T HN 0.113 nan 8.240 nan 0.000 0.444 50 R N 1.019 121.289 120.500 -0.383 0.000 2.235 50 R HA 0.198 4.538 4.340 -0.000 0.000 0.213 50 R C 2.553 178.759 176.300 -0.156 0.000 1.059 50 R CA 0.782 56.684 56.100 -0.330 0.000 0.997 50 R CB -0.579 29.470 30.300 -0.420 0.000 0.884 50 R HN 0.383 nan 8.270 nan 0.000 0.462 51 A N 1.130 123.878 122.820 -0.118 0.000 2.019 51 A HA -0.068 4.252 4.320 -0.000 0.000 0.219 51 A C 2.323 179.872 177.584 -0.059 0.000 1.164 51 A CA 1.561 53.559 52.037 -0.064 0.000 0.644 51 A CB -0.292 18.679 19.000 -0.049 0.000 0.805 51 A HN 0.319 nan 8.150 nan 0.000 0.449 52 A N -0.973 121.800 122.820 -0.078 0.000 1.898 52 A HA 0.068 4.388 4.320 -0.000 0.000 0.216 52 A C 1.317 178.867 177.584 -0.057 0.000 1.181 52 A CA 1.364 53.361 52.037 -0.066 0.000 0.620 52 A CB -0.175 18.778 19.000 -0.077 0.000 0.819 52 A HN 0.631 nan 8.150 nan 0.000 0.442 53 Q N -0.147 119.613 119.800 -0.067 0.000 2.418 53 Q HA 0.417 4.757 4.340 -0.000 0.000 0.276 53 Q C -0.715 175.269 176.000 -0.026 0.000 1.081 53 Q CA -0.626 55.147 55.803 -0.050 0.000 0.864 53 Q CB 1.006 29.704 28.738 -0.067 0.000 1.384 53 Q HN 0.577 nan 8.270 nan 0.000 0.467 54 D N -0.323 120.078 120.400 0.000 0.000 2.383 54 D HA -0.010 4.630 4.640 -0.000 0.000 0.248 54 D C 0.232 176.565 176.300 0.055 0.000 1.170 54 D CA -0.414 53.614 54.000 0.046 0.000 0.977 54 D CB 0.676 41.518 40.800 0.070 0.000 1.120 54 D HN 0.519 nan 8.370 nan 0.000 0.481 55 F N 0.163 120.071 119.950 -0.070 0.000 2.075 55 F HA -0.108 4.419 4.527 -0.000 0.000 0.297 55 F C 1.888 177.573 175.800 -0.192 0.000 1.113 55 F CA 1.226 59.133 58.000 -0.156 0.000 1.218 55 F CB -0.404 38.393 39.000 -0.338 0.000 0.984 55 F HN 0.281 nan 8.300 nan 0.000 0.472 56 F N -0.321 119.613 119.950 -0.027 0.000 2.293 56 F HA -0.126 4.401 4.527 -0.000 0.000 0.300 56 F C 2.657 178.320 175.800 -0.228 0.000 1.086 56 F CA 1.158 59.045 58.000 -0.188 0.000 1.375 56 F CB -0.820 38.165 39.000 -0.026 0.000 1.045 56 F HN -0.066 nan 8.300 nan 0.000 0.516 57 S N -0.637 115.047 115.700 -0.028 0.000 2.371 57 S HA -0.140 4.330 4.470 -0.000 0.000 0.224 57 S C 2.148 176.675 174.600 -0.122 0.000 1.029 57 S CA 1.605 59.755 58.200 -0.084 0.000 0.978 57 S CB -0.373 62.798 63.200 -0.048 0.000 0.833 57 S HN 0.322 nan 8.310 nan 0.000 0.466 58 T N 1.004 115.477 114.554 -0.134 0.000 2.720 58 T HA -0.142 4.207 4.350 -0.000 0.000 0.268 58 T C 1.942 176.599 174.700 -0.072 0.000 1.037 58 T CA 1.335 63.360 62.100 -0.125 0.000 1.144 58 T CB -0.552 68.227 68.868 -0.148 0.000 0.864 58 T HN 0.443 nan 8.240 nan 0.000 0.444 59 C N 1.172 120.383 119.300 -0.149 0.000 2.419 59 C HA 0.033 4.493 4.460 -0.000 0.000 0.281 59 C C 2.530 177.544 174.990 0.039 0.000 1.336 59 C CA 0.390 59.382 59.018 -0.044 0.000 1.770 59 C CB -1.043 26.593 27.740 -0.172 0.000 1.929 59 C HN 0.492 nan 8.230 nan 0.000 0.509 60 R N 0.175 120.567 120.500 -0.181 0.000 2.310 60 R HA 0.051 4.391 4.340 -0.000 0.000 0.202 60 R C 0.685 176.934 176.300 -0.084 0.000 0.933 60 R CA 0.110 56.017 56.100 -0.321 0.000 1.054 60 R CB 0.058 30.027 30.300 -0.551 0.000 0.985 60 R HN 0.315 nan 8.270 nan 0.000 0.489 61 S N 1.168 116.852 115.700 -0.027 0.000 2.461 61 S HA 0.263 4.733 4.470 -0.000 0.000 0.322 61 S C -1.956 172.668 174.600 0.040 0.000 1.063 61 S CA -2.101 56.096 58.200 -0.006 0.000 1.120 61 S CB 1.242 64.419 63.200 -0.038 0.000 0.968 61 S HN -0.114 nan 8.310 nan 0.000 0.467 62 P HA -0.114 nan 4.420 nan 0.000 0.215 62 P C 1.308 178.640 177.300 0.052 0.000 1.153 62 P CA 1.016 64.164 63.100 0.080 0.000 0.853 62 P CB 0.201 31.952 31.700 0.085 0.000 0.788 63 E N -0.540 119.675 120.200 0.025 0.000 2.072 63 E HA -0.124 4.226 4.350 -0.000 0.000 0.191 63 E C 2.070 178.658 176.600 -0.020 0.000 0.985 63 E CA 1.402 57.805 56.400 0.005 0.000 0.801 63 E CB -0.750 28.946 29.700 -0.006 0.000 0.750 63 E HN 0.159 nan 8.360 nan 0.000 0.452 64 A N 0.935 123.731 122.820 -0.039 0.000 1.873 64 A HA -0.176 4.144 4.320 -0.000 0.000 0.215 64 A C 2.645 180.169 177.584 -0.101 0.000 1.186 64 A CA 1.384 53.362 52.037 -0.099 0.000 0.616 64 A CB -0.935 17.989 19.000 -0.127 0.000 0.823 64 A HN 0.335 nan 8.150 nan 0.000 0.442 65 C N -1.544 117.761 119.300 0.008 0.000 2.413 65 C HA -0.177 4.283 4.460 -0.000 0.000 0.276 65 C C 2.978 178.025 174.990 0.095 0.000 1.236 65 C CA 0.800 59.894 59.018 0.127 0.000 1.735 65 C CB -1.762 26.117 27.740 0.232 0.000 2.031 65 C HN 0.782 nan 8.230 nan 0.000 0.474 66 C N 1.128 120.465 119.300 0.062 0.000 2.413 66 C HA -0.148 4.312 4.460 -0.000 0.000 0.276 66 C C 2.801 177.802 174.990 0.018 0.000 1.236 66 C CA 2.120 61.168 59.018 0.049 0.000 1.735 66 C CB -1.379 26.386 27.740 0.040 0.000 2.031 66 C HN 0.688 nan 8.230 nan 0.000 0.474 67 E N 0.596 120.782 120.200 -0.023 0.000 2.058 67 E HA -0.168 4.182 4.350 -0.000 0.000 0.194 67 E C 1.997 178.562 176.600 -0.059 0.000 0.997 67 E CA 1.812 58.182 56.400 -0.050 0.000 0.801 67 E CB -0.652 28.997 29.700 -0.084 0.000 0.746 67 E HN 0.719 nan 8.360 nan 0.000 0.450 68 L N -0.021 121.135 121.223 -0.112 0.000 2.093 68 L HA -0.140 4.200 4.340 -0.000 0.000 0.208 68 L C 2.471 179.383 176.870 0.069 0.000 1.085 68 L CA 1.609 56.380 54.840 -0.115 0.000 0.755 68 L CB -0.605 41.186 42.059 -0.447 0.000 0.904 68 L HN 0.209 nan 8.230 nan 0.000 0.435 69 T N 0.220 114.839 114.554 0.108 0.000 2.746 69 T HA -0.135 4.215 4.350 -0.000 0.000 0.267 69 T C 1.918 176.677 174.700 0.097 0.000 1.039 69 T CA 1.195 63.384 62.100 0.149 0.000 1.142 69 T CB -0.150 68.803 68.868 0.142 0.000 0.866 69 T HN 0.215 nan 8.240 nan 0.000 0.444 70 L N 0.526 121.782 121.223 0.055 0.000 2.240 70 L HA -0.017 4.323 4.340 -0.000 0.000 0.211 70 L C 2.825 179.707 176.870 0.021 0.000 1.106 70 L CA 0.844 55.703 54.840 0.032 0.000 0.793 70 L CB -0.588 41.478 42.059 0.012 0.000 0.927 70 L HN 0.291 nan 8.230 nan 0.000 0.446 71 Q N 0.379 120.189 119.800 0.016 0.000 2.062 71 Q HA -0.215 4.125 4.340 -0.000 0.000 0.209 71 Q C -0.477 175.506 176.000 -0.029 0.000 0.996 71 Q CA 2.143 57.937 55.803 -0.015 0.000 0.859 71 Q CB -1.089 27.645 28.738 -0.007 0.000 0.920 71 Q HN 0.432 nan 8.270 nan 0.000 0.415 72 P HA -0.166 nan 4.420 nan 0.000 0.218 72 P C 1.201 178.526 177.300 0.041 0.000 1.148 72 P CA 1.279 64.440 63.100 0.101 0.000 0.822 72 P CB -0.154 31.730 31.700 0.307 0.000 0.784 73 L N -0.811 120.449 121.223 0.061 0.000 2.201 73 L HA -0.055 4.285 4.340 -0.000 0.000 0.212 73 L C 2.779 179.636 176.870 -0.022 0.000 1.105 73 L CA 1.239 56.112 54.840 0.055 0.000 0.775 73 L CB -0.789 41.303 42.059 0.054 0.000 0.913 73 L HN -0.049 nan 8.230 nan 0.000 0.440 74 R N -0.099 120.358 120.500 -0.072 0.000 2.148 74 R HA -0.085 4.255 4.340 -0.000 0.000 0.227 74 R C 2.333 178.519 176.300 -0.189 0.000 1.103 74 R CA 0.886 56.926 56.100 -0.101 0.000 0.983 74 R CB -0.122 30.123 30.300 -0.092 0.000 0.874 74 R HN 0.377 nan 8.270 nan 0.000 0.451 75 R N -0.632 119.642 120.500 -0.378 0.000 2.112 75 R HA 0.127 4.467 4.340 -0.000 0.000 0.216 75 R C -0.017 175.930 176.300 -0.588 0.000 1.080 75 R CA 0.688 56.379 56.100 -0.681 0.000 0.996 75 R CB 0.405 29.864 30.300 -1.402 0.000 0.902 75 R HN 0.044 nan 8.270 nan 0.000 0.449 76 F N 0.434 120.422 119.950 0.063 0.000 2.565 76 F HA 0.341 4.868 4.527 -0.000 0.000 0.313 76 F C -2.042 173.804 175.800 0.076 0.000 1.091 76 F CA -2.813 55.229 58.000 0.070 0.000 0.915 76 F CB 2.012 41.063 39.000 0.086 0.000 1.208 76 F HN -0.232 nan 8.300 nan 0.000 0.453 77 P HA 0.135 nan 4.420 nan 0.000 0.225 77 P C -0.433 177.036 177.300 0.281 0.000 1.768 77 P CA 0.207 63.435 63.100 0.214 0.000 0.943 77 P CB -0.236 31.564 31.700 0.167 0.000 1.936 78 L N 0.761 122.138 121.223 0.256 0.000 2.483 78 L HA 0.078 4.418 4.340 -0.000 0.000 0.276 78 L C 1.564 178.555 176.870 0.201 0.000 1.213 78 L CA 0.457 55.436 54.840 0.231 0.000 0.843 78 L CB 0.264 42.463 42.059 0.234 0.000 1.107 78 L HN 0.043 nan 8.230 nan 0.000 0.487 79 D N 1.534 122.063 120.400 0.215 0.000 2.339 79 D HA 0.262 4.902 4.640 -0.000 0.000 0.217 79 D C 0.132 176.423 176.300 -0.016 0.000 1.050 79 D CA 0.366 54.479 54.000 0.188 0.000 0.856 79 D CB 0.766 41.761 40.800 0.325 0.000 0.922 79 D HN 0.548 nan 8.370 nan 0.000 0.518 80 A N 0.226 122.957 122.820 -0.148 0.000 2.604 80 A HA 0.687 5.007 4.320 -0.000 0.000 0.295 80 A C -1.351 176.058 177.584 -0.290 0.000 1.067 80 A CA -0.597 51.163 52.037 -0.463 0.000 0.683 80 A CB 1.629 19.855 19.000 -1.290 0.000 1.281 80 A HN 0.029 nan 8.150 nan 0.000 0.407 81 A N 0.719 123.370 122.820 -0.282 0.000 2.325 81 A HA 0.801 5.121 4.320 -0.000 0.000 0.333 81 A C -0.558 176.873 177.584 -0.256 0.000 1.155 81 A CA -0.423 51.520 52.037 -0.157 0.000 0.814 81 A CB 0.671 19.631 19.000 -0.067 0.000 1.206 81 A HN 1.518 nan 8.150 nan 0.000 0.482 82 I N 2.062 122.557 120.570 -0.125 0.000 2.465 82 I HA 0.463 4.633 4.170 -0.000 0.000 0.291 82 I C -0.670 175.514 176.117 0.111 0.000 1.014 82 I CA -1.136 60.114 61.300 -0.084 0.000 1.093 82 I CB 1.182 39.111 38.000 -0.118 0.000 1.267 82 I HN 0.696 nan 8.210 nan 0.000 0.431 83 I N 7.515 128.193 120.570 0.179 0.000 2.710 83 I HA 0.025 4.195 4.170 -0.000 0.000 0.286 83 I C -0.667 175.672 176.117 0.370 0.000 1.181 83 I CA 0.470 61.918 61.300 0.246 0.000 1.430 83 I CB 0.338 38.462 38.000 0.207 0.000 1.367 83 I HN 0.457 nan 8.210 nan 0.000 0.577 84 F N 7.884 127.969 119.950 0.225 0.000 2.502 84 F HA 0.442 4.969 4.527 -0.000 0.000 0.371 84 F C 0.425 176.384 175.800 0.264 0.000 1.083 84 F CA 0.831 58.980 58.000 0.247 0.000 1.174 84 F CB 0.158 39.266 39.000 0.180 0.000 1.096 84 F HN 0.581 nan 8.300 nan 0.000 0.545 85 S N 2.976 118.515 115.700 -0.268 0.000 2.755 85 S HA 0.769 5.239 4.470 -0.000 0.000 0.286 85 S C -0.667 173.940 174.600 0.013 0.000 1.207 85 S CA -0.301 57.815 58.200 -0.140 0.000 0.892 85 S CB 0.716 63.935 63.200 0.031 0.000 1.240 85 S HN 0.950 nan 8.310 nan 0.000 0.525 86 G N 0.565 109.468 108.800 0.172 0.000 2.473 86 G HA2 0.559 4.519 3.960 -0.000 0.000 0.321 86 G HA3 0.559 4.519 3.960 -0.000 0.000 0.321 86 G C 0.820 175.916 174.900 0.327 0.000 1.200 86 G CA -0.448 44.875 45.100 0.372 0.000 0.963 86 G HN 0.965 nan 8.290 nan 0.000 0.483 87 I N -0.975 119.781 120.570 0.310 0.000 2.617 87 I HA 0.139 4.309 4.170 -0.000 0.000 0.256 87 I C 1.393 177.601 176.117 0.152 0.000 1.167 87 I CA 0.743 62.183 61.300 0.234 0.000 1.469 87 I CB -0.055 38.066 38.000 0.201 0.000 1.098 87 I HN 0.287 nan 8.210 nan 0.000 0.436 88 L N 1.637 122.968 121.223 0.181 0.000 2.599 88 L HA 0.018 4.358 4.340 -0.000 0.000 0.230 88 L C 2.534 179.479 176.870 0.124 0.000 1.141 88 L CA 0.266 55.199 54.840 0.155 0.000 0.877 88 L CB -0.206 41.935 42.059 0.136 0.000 1.009 88 L HN 0.362 nan 8.230 nan 0.000 0.447 89 V N -4.008 115.998 119.914 0.154 0.000 2.568 89 V HA -0.198 3.922 4.120 -0.000 0.000 0.253 89 V C 2.132 178.163 176.094 -0.104 0.000 1.072 89 V CA 1.449 63.775 62.300 0.045 0.000 1.084 89 V CB -0.682 31.166 31.823 0.042 0.000 0.676 89 V HN 0.195 nan 8.190 nan 0.000 0.469 90 V N 0.788 120.632 119.914 -0.116 0.000 2.255 90 V HA -0.038 4.082 4.120 -0.000 0.000 0.243 90 V C 0.538 176.586 176.094 -0.076 0.000 1.038 90 V CA 2.504 64.706 62.300 -0.164 0.000 1.008 90 V CB -1.743 30.011 31.823 -0.114 0.000 0.645 90 V HN 0.494 nan 8.190 nan 0.000 0.449 91 P HA -0.198 nan 4.420 nan 0.000 0.216 91 P C 1.696 179.018 177.300 0.038 0.000 1.150 91 P CA 1.493 64.591 63.100 -0.004 0.000 0.843 91 P CB -0.040 31.682 31.700 0.036 0.000 0.787 92 Q N -0.663 119.160 119.800 0.038 0.000 2.050 92 Q HA -0.104 4.236 4.340 -0.000 0.000 0.202 92 Q C 2.272 178.249 176.000 -0.038 0.000 0.980 92 Q CA 1.781 57.571 55.803 -0.022 0.000 0.840 92 Q CB -0.739 27.917 28.738 -0.138 0.000 0.898 92 Q HN 0.169 nan 8.270 nan 0.000 0.424 93 A N 0.353 123.136 122.820 -0.063 0.000 2.067 93 A HA -0.084 4.235 4.320 -0.000 0.000 0.219 93 A C 1.838 179.387 177.584 -0.058 0.000 1.158 93 A CA 0.806 52.799 52.037 -0.074 0.000 0.661 93 A CB -0.364 18.548 19.000 -0.147 0.000 0.801 93 A HN 0.302 nan 8.150 nan 0.000 0.452 94 L N -1.582 119.609 121.223 -0.053 0.000 2.552 94 L HA 0.146 4.486 4.340 -0.000 0.000 0.227 94 L C 1.651 178.503 176.870 -0.030 0.000 1.146 94 L CA 0.700 55.515 54.840 -0.041 0.000 0.858 94 L CB 0.055 42.083 42.059 -0.052 0.000 0.969 94 L HN 0.590 nan 8.230 nan 0.000 0.451 95 G N -0.936 107.851 108.800 -0.022 0.000 2.192 95 G HA2 -0.207 3.753 3.960 -0.000 0.000 0.193 95 G HA3 -0.207 3.753 3.960 -0.000 0.000 0.193 95 G C 0.218 175.119 174.900 0.001 0.000 0.999 95 G CA -0.494 44.599 45.100 -0.012 0.000 0.659 95 G HN 0.130 nan 8.290 nan 0.000 0.503 96 M N 1.260 120.873 119.600 0.022 0.000 2.274 96 M HA 0.416 4.896 4.480 -0.000 0.000 0.344 96 M C -0.088 176.288 176.300 0.127 0.000 1.161 96 M CA -0.276 55.078 55.300 0.090 0.000 1.126 96 M CB 0.915 33.562 32.600 0.078 0.000 1.522 96 M HN -0.021 nan 8.290 nan 0.000 0.461 97 E N 2.434 122.706 120.200 0.119 0.000 2.200 97 E HA 0.372 4.722 4.350 -0.000 0.000 0.283 97 E C -0.983 175.577 176.600 -0.066 0.000 1.015 97 E CA -0.308 56.097 56.400 0.009 0.000 0.819 97 E CB 1.572 31.271 29.700 -0.002 0.000 1.081 97 E HN 0.340 nan 8.360 nan 0.000 0.397 98 V N 2.541 122.262 119.914 -0.321 0.000 2.630 98 V HA 0.456 4.576 4.120 -0.000 0.000 0.305 98 V C 0.475 176.382 176.094 -0.311 0.000 1.046 98 V CA -0.646 61.301 62.300 -0.589 0.000 0.934 98 V CB 1.869 33.127 31.823 -0.942 0.000 1.003 98 V HN 0.815 nan 8.190 nan 0.000 0.451 99 T N 1.556 115.981 114.554 -0.215 0.000 2.908 99 T HA 0.768 5.118 4.350 -0.000 0.000 0.290 99 T C -0.770 173.942 174.700 0.020 0.000 1.034 99 T CA -0.769 61.297 62.100 -0.057 0.000 1.010 99 T CB 1.761 70.605 68.868 -0.039 0.000 1.068 99 T HN 0.495 nan 8.240 nan 0.000 0.481 100 M N 3.361 123.023 119.600 0.102 0.000 2.114 100 M HA 0.571 5.051 4.480 -0.000 0.000 0.332 100 M C -1.553 174.774 176.300 0.045 0.000 1.014 100 M CA -0.769 54.593 55.300 0.103 0.000 0.956 100 M CB 1.039 33.737 32.600 0.164 0.000 1.551 100 M HN 0.580 nan 8.290 nan 0.000 0.427 101 V N 7.767 127.691 119.914 0.018 0.000 2.432 101 V HA 0.448 4.568 4.120 -0.000 0.000 0.275 101 V C -2.051 174.047 176.094 0.007 0.000 1.043 101 V CA -1.568 60.739 62.300 0.012 0.000 0.925 101 V CB 0.779 32.607 31.823 0.008 0.000 0.985 101 V HN 0.728 nan 8.190 nan 0.000 0.466 102 P HA 0.103 nan 4.420 nan 0.000 0.256 102 P C 0.972 178.275 177.300 0.005 0.000 1.173 102 P CA 1.245 64.350 63.100 0.009 0.000 0.768 102 P CB 0.198 31.905 31.700 0.010 0.000 0.758 103 G N 2.908 111.709 108.800 0.001 0.000 2.258 103 G HA2 -0.337 3.623 3.960 -0.000 0.000 0.274 103 G HA3 -0.337 3.623 3.960 -0.000 0.000 0.274 103 G C 0.759 175.658 174.900 -0.002 0.000 1.021 103 G CA 0.924 46.024 45.100 -0.001 0.000 0.798 103 G HN 0.549 nan 8.290 nan 0.000 0.507 104 K N -2.019 118.379 120.400 -0.003 0.000 2.658 104 K HA 0.519 4.839 4.320 -0.000 0.000 0.202 104 K C 1.175 177.776 176.600 0.003 0.000 1.563 104 K CA 0.932 57.220 56.287 0.002 0.000 1.129 104 K CB 1.142 33.646 32.500 0.007 0.000 1.507 104 K HN 1.593 nan 8.250 nan 0.000 0.581 105 G N 1.298 110.093 108.800 -0.007 0.000 2.373 105 G HA2 -0.081 3.879 3.960 -0.000 0.000 0.634 105 G HA3 -0.081 3.879 3.960 -0.000 0.000 0.634 105 G C -2.988 171.906 174.900 -0.010 0.000 1.267 105 G CA -0.968 44.120 45.100 -0.020 0.000 1.008 105 G HN -0.118 nan 8.290 nan 0.000 0.497 106 P HA 0.481 nan 4.420 nan 0.000 0.271 106 P C -0.376 176.914 177.300 -0.017 0.000 1.218 106 P CA 0.268 63.360 63.100 -0.013 0.000 0.780 106 P CB 1.694 33.379 31.700 -0.026 0.000 0.901 107 S N 1.317 116.949 115.700 -0.113 0.000 2.541 107 S HA 0.649 5.119 4.470 -0.000 0.000 0.271 107 S C -1.703 172.742 174.600 -0.260 0.000 1.133 107 S CA -0.598 57.561 58.200 -0.069 0.000 0.876 107 S CB 0.439 63.632 63.200 -0.011 0.000 1.105 107 S HN 0.148 nan 8.310 nan 0.000 0.470 108 F N 4.448 124.403 119.950 0.009 0.000 2.332 108 F HA 0.412 4.939 4.527 -0.000 0.000 0.368 108 F C -1.410 174.381 175.800 -0.016 0.000 1.110 108 F CA -1.862 56.126 58.000 -0.020 0.000 1.087 108 F CB 1.805 40.785 39.000 -0.033 0.000 1.235 108 F HN 0.431 nan 8.300 nan 0.000 0.470 109 P HA -0.103 nan 4.420 nan 0.000 0.226 109 P C -0.236 177.107 177.300 0.073 0.000 1.153 109 P CA 1.021 64.163 63.100 0.070 0.000 0.777 109 P CB 0.302 32.023 31.700 0.036 0.000 0.794 110 E N 0.886 121.143 120.200 0.095 0.000 3.167 110 E HA 0.247 4.597 4.350 -0.000 0.000 0.212 110 E C -2.316 174.312 176.600 0.046 0.000 1.143 110 E CA -2.087 54.350 56.400 0.061 0.000 1.002 110 E CB 0.307 30.036 29.700 0.048 0.000 1.315 110 E HN 0.323 nan 8.360 nan 0.000 0.422 111 P HA 0.032 nan 4.420 nan 0.000 0.272 111 P C -0.229 177.023 177.300 -0.081 0.000 1.240 111 P CA -0.335 62.727 63.100 -0.063 0.000 0.791 111 P CB 0.993 32.657 31.700 -0.059 0.000 0.978 112 L N 2.310 123.430 121.223 -0.171 0.000 2.361 112 L HA 0.196 4.536 4.340 -0.000 0.000 0.278 112 L C 1.706 178.577 176.870 0.001 0.000 1.113 112 L CA -0.014 54.761 54.840 -0.107 0.000 0.849 112 L CB 0.211 42.111 42.059 -0.265 0.000 1.155 112 L HN 0.352 nan 8.230 nan 0.000 0.452 113 R N 1.620 122.246 120.500 0.210 0.000 2.576 113 R HA 0.156 4.496 4.340 -0.000 0.000 0.237 113 R C 0.080 176.635 176.300 0.425 0.000 0.917 113 R CA 0.158 56.474 56.100 0.360 0.000 1.002 113 R CB 0.789 31.193 30.300 0.174 0.000 1.428 113 R HN 0.781 nan 8.270 nan 0.000 0.603 114 E N -0.111 120.266 120.200 0.296 0.000 2.378 114 E HA 0.251 4.601 4.350 -0.000 0.000 0.265 114 E C -0.001 176.658 176.600 0.098 0.000 0.932 114 E CA -0.632 55.824 56.400 0.093 0.000 0.795 114 E CB 1.676 31.386 29.700 0.016 0.000 1.296 114 E HN -0.131 nan 8.360 nan 0.000 0.438 115 E N 0.454 120.582 120.200 -0.120 0.000 2.118 115 E HA -0.311 4.039 4.350 -0.000 0.000 0.195 115 E C 1.909 178.537 176.600 0.047 0.000 0.992 115 E CA 1.671 58.029 56.400 -0.070 0.000 0.804 115 E CB 0.106 29.722 29.700 -0.139 0.000 0.741 115 E HN 0.650 nan 8.360 nan 0.000 0.458 116 Q N 0.072 119.890 119.800 0.030 0.000 2.291 116 Q HA -0.168 4.172 4.340 -0.000 0.000 0.205 116 Q C 1.134 177.168 176.000 0.057 0.000 0.970 116 Q CA 1.394 57.218 55.803 0.035 0.000 0.876 116 Q CB 0.133 28.883 28.738 0.020 0.000 0.935 116 Q HN 0.289 nan 8.270 nan 0.000 0.455 117 D N 0.607 121.059 120.400 0.088 0.000 2.263 117 D HA -0.142 4.498 4.640 -0.000 0.000 0.208 117 D C 1.734 178.075 176.300 0.069 0.000 0.971 117 D CA 0.716 54.764 54.000 0.080 0.000 0.867 117 D CB -0.064 40.800 40.800 0.105 0.000 0.929 117 D HN 0.369 nan 8.370 nan 0.000 0.492 118 L N 0.615 121.898 121.223 0.100 0.000 2.265 118 L HA -0.135 4.205 4.340 -0.000 0.000 0.215 118 L C 2.068 178.963 176.870 0.042 0.000 1.117 118 L CA 0.902 55.786 54.840 0.074 0.000 0.782 118 L CB -0.419 41.703 42.059 0.105 0.000 0.914 118 L HN -0.006 nan 8.230 nan 0.000 0.441 119 E N 0.395 120.619 120.200 0.040 0.000 2.333 119 E HA -0.230 4.120 4.350 -0.000 0.000 0.198 119 E C 2.139 178.751 176.600 0.019 0.000 1.007 119 E CA 0.798 57.215 56.400 0.027 0.000 0.845 119 E CB -0.028 29.687 29.700 0.025 0.000 0.766 119 E HN 0.524 nan 8.360 nan 0.000 0.507 120 R N 0.658 121.167 120.500 0.015 0.000 2.240 120 R HA 0.023 4.363 4.340 -0.000 0.000 0.203 120 R C 0.552 176.852 176.300 0.000 0.000 1.011 120 R CA 0.148 56.252 56.100 0.007 0.000 1.007 120 R CB -0.188 30.115 30.300 0.005 0.000 0.911 120 R HN 0.006 nan 8.270 nan 0.000 0.468 121 L N 2.287 123.509 121.223 -0.002 0.000 2.417 121 L HA 0.273 4.613 4.340 -0.000 0.000 0.268 121 L C 0.587 177.456 176.870 -0.002 0.000 1.158 121 L CA -0.755 54.080 54.840 -0.010 0.000 0.819 121 L CB 0.629 42.678 42.059 -0.017 0.000 1.112 121 L HN 0.144 nan 8.230 nan 0.000 0.458 122 R N 0.737 121.233 120.500 -0.006 0.000 2.784 122 R HA -0.007 4.333 4.340 -0.000 0.000 0.266 122 R C -0.220 176.083 176.300 0.005 0.000 1.044 122 R CA -0.518 55.581 56.100 -0.001 0.000 1.151 122 R CB 0.261 30.558 30.300 -0.006 0.000 1.037 122 R HN 0.523 nan 8.270 nan 0.000 0.478 123 D N 2.596 123.003 120.400 0.012 0.000 2.450 123 D HA -0.012 4.628 4.640 -0.000 0.000 0.247 123 D C -1.417 174.894 176.300 0.019 0.000 1.162 123 D CA -1.710 52.301 54.000 0.019 0.000 0.879 123 D CB 1.055 41.868 40.800 0.021 0.000 1.163 123 D HN 0.218 nan 8.370 nan 0.000 0.472 124 P HA -0.137 nan 4.420 nan 0.000 0.219 124 P C 0.734 178.056 177.300 0.038 0.000 1.146 124 P CA 0.988 64.104 63.100 0.028 0.000 0.808 124 P CB 0.268 31.992 31.700 0.039 0.000 0.779 125 E N -0.127 120.096 120.200 0.040 0.000 2.265 125 E HA -0.082 4.268 4.350 -0.000 0.000 0.196 125 E C 1.779 178.406 176.600 0.044 0.000 0.996 125 E CA 1.112 57.539 56.400 0.046 0.000 0.832 125 E CB -0.267 29.458 29.700 0.041 0.000 0.756 125 E HN 0.247 nan 8.360 nan 0.000 0.491 126 V N -2.461 117.473 119.914 0.033 0.000 3.608 126 V HA 0.015 4.135 4.120 -0.000 0.000 0.269 126 V C 1.869 177.975 176.094 0.020 0.000 1.245 126 V CA 0.261 62.579 62.300 0.030 0.000 1.138 126 V CB 0.213 32.048 31.823 0.021 0.000 0.841 126 V HN -0.026 nan 8.190 nan 0.000 0.451 127 V N 1.454 121.374 119.914 0.011 0.000 2.407 127 V HA -0.163 3.957 4.120 -0.000 0.000 0.248 127 V C 3.129 179.200 176.094 -0.039 0.000 1.055 127 V CA 2.276 64.558 62.300 -0.031 0.000 1.049 127 V CB -1.082 30.712 31.823 -0.049 0.000 0.662 127 V HN 0.675 nan 8.190 nan 0.000 0.455 128 A N 0.817 123.670 122.820 0.055 0.000 1.908 128 A HA -0.241 4.079 4.320 -0.000 0.000 0.218 128 A C 2.569 180.217 177.584 0.108 0.000 1.181 128 A CA 2.374 54.508 52.037 0.162 0.000 0.627 128 A CB -0.834 18.348 19.000 0.303 0.000 0.818 128 A HN 0.705 nan 8.150 nan 0.000 0.445 129 S N -0.116 115.637 115.700 0.088 0.000 2.383 129 S HA -0.189 4.281 4.470 -0.000 0.000 0.229 129 S C 1.493 176.093 174.600 0.000 0.000 1.030 129 S CA 1.459 59.700 58.200 0.068 0.000 1.002 129 S CB -0.439 62.798 63.200 0.062 0.000 0.829 129 S HN 0.554 nan 8.310 nan 0.000 0.467 130 E N 1.121 121.298 120.200 -0.037 0.000 2.418 130 E HA 0.126 4.476 4.350 -0.000 0.000 0.197 130 E C 1.250 177.775 176.600 -0.125 0.000 1.026 130 E CA 0.468 56.840 56.400 -0.046 0.000 0.862 130 E CB -0.207 29.465 29.700 -0.046 0.000 0.799 130 E HN 0.610 nan 8.360 nan 0.000 0.518 131 L N -0.164 120.858 121.223 -0.335 0.000 2.872 131 L HA 0.239 4.579 4.340 -0.000 0.000 0.245 131 L C 1.870 178.149 176.870 -0.985 0.000 1.211 131 L CA -0.192 54.195 54.840 -0.755 0.000 1.013 131 L CB 0.360 41.913 42.059 -0.843 0.000 1.326 131 L HN 0.035 nan 8.230 nan 0.000 0.525 132 G N 0.756 109.268 108.800 -0.480 0.000 2.469 132 G HA2 -0.357 3.603 3.960 -0.000 0.000 0.220 132 G HA3 -0.357 3.603 3.960 -0.000 0.000 0.220 132 G C 1.352 176.146 174.900 -0.176 0.000 1.136 132 G CA 1.324 46.280 45.100 -0.241 0.000 0.759 132 G HN 0.608 nan 8.290 nan 0.000 0.562 133 Y N 0.448 120.665 120.300 -0.138 0.000 2.256 133 Y HA -0.009 4.541 4.550 -0.000 0.000 0.288 133 Y C 2.401 178.267 175.900 -0.057 0.000 1.155 133 Y CA 0.958 59.018 58.100 -0.067 0.000 1.203 133 Y CB -0.810 37.615 38.460 -0.058 0.000 0.980 133 Y HN 0.026 nan 8.280 nan 0.000 0.530 134 V N 0.755 120.313 119.914 -0.594 0.000 2.358 134 V HA -0.243 3.877 4.120 -0.000 0.000 0.246 134 V C 2.284 178.373 176.094 -0.010 0.000 1.047 134 V CA 1.946 64.074 62.300 -0.286 0.000 1.035 134 V CB -1.064 30.545 31.823 -0.356 0.000 0.658 134 V HN 0.510 nan 8.190 nan 0.000 0.452 135 F N 0.210 120.145 119.950 -0.024 0.000 2.171 135 F HA -0.248 4.278 4.527 -0.000 0.000 0.300 135 F C 2.721 178.549 175.800 0.046 0.000 1.090 135 F CA 1.310 59.318 58.000 0.013 0.000 1.293 135 F CB -0.397 38.618 39.000 0.025 0.000 1.013 135 F HN 0.153 nan 8.300 nan 0.000 0.486 136 Q N 0.573 120.508 119.800 0.224 0.000 2.084 136 Q HA -0.173 4.167 4.340 -0.000 0.000 0.202 136 Q C 2.534 178.622 176.000 0.147 0.000 0.978 136 Q CA 1.457 57.363 55.803 0.171 0.000 0.844 136 Q CB -0.386 28.439 28.738 0.144 0.000 0.898 136 Q HN 0.447 nan 8.270 nan 0.000 0.426 137 A N 0.691 123.596 122.820 0.141 0.000 1.902 137 A HA -0.175 4.145 4.320 -0.000 0.000 0.217 137 A C 2.029 179.681 177.584 0.114 0.000 1.181 137 A CA 1.174 53.289 52.037 0.129 0.000 0.623 137 A CB -0.601 18.487 19.000 0.147 0.000 0.818 137 A HN 0.319 nan 8.150 nan 0.000 0.443 138 I N -0.684 119.956 120.570 0.118 0.000 2.252 138 I HA -0.208 3.962 4.170 -0.000 0.000 0.245 138 I C 2.585 178.728 176.117 0.043 0.000 1.102 138 I CA 1.721 63.065 61.300 0.073 0.000 1.385 138 I CB -0.590 37.455 38.000 0.075 0.000 1.064 138 I HN 0.242 nan 8.210 nan 0.000 0.414 139 T N 1.191 115.814 114.554 0.114 0.000 2.737 139 T HA -0.161 4.189 4.350 -0.000 0.000 0.265 139 T C 1.860 176.667 174.700 0.178 0.000 1.038 139 T CA 1.213 63.428 62.100 0.191 0.000 1.144 139 T CB -0.315 68.711 68.868 0.263 0.000 0.866 139 T HN 0.153 nan 8.240 nan 0.000 0.434 140 L N 1.211 122.515 121.223 0.134 0.000 2.012 140 L HA -0.105 4.235 4.340 -0.000 0.000 0.210 140 L C 2.498 179.416 176.870 0.080 0.000 1.073 140 L CA 1.944 56.849 54.840 0.108 0.000 0.748 140 L CB -1.279 40.833 42.059 0.088 0.000 0.891 140 L HN 0.196 nan 8.230 nan 0.000 0.431 141 T N -0.842 113.748 114.554 0.059 0.000 2.746 141 T HA -0.214 4.136 4.350 -0.000 0.000 0.267 141 T C 1.978 176.679 174.700 0.001 0.000 1.039 141 T CA 1.525 63.645 62.100 0.035 0.000 1.142 141 T CB -0.269 68.624 68.868 0.042 0.000 0.866 141 T HN 0.244 nan 8.240 nan 0.000 0.444 142 R N 1.381 121.849 120.500 -0.053 0.000 2.091 142 R HA -0.069 4.271 4.340 -0.000 0.000 0.238 142 R C 2.367 178.661 176.300 -0.010 0.000 1.136 142 R CA 1.632 57.641 56.100 -0.152 0.000 0.959 142 R CB -0.449 29.546 30.300 -0.508 0.000 0.856 142 R HN 0.487 nan 8.270 nan 0.000 0.437 143 Q N -0.532 119.337 119.800 0.115 0.000 2.020 143 Q HA -0.100 4.240 4.340 -0.000 0.000 0.202 143 Q C 2.146 178.202 176.000 0.093 0.000 0.982 143 Q CA 1.446 57.354 55.803 0.175 0.000 0.838 143 Q CB -0.118 28.730 28.738 0.183 0.000 0.899 143 Q HN 0.219 nan 8.270 nan 0.000 0.423 144 R N 0.500 121.039 120.500 0.065 0.000 2.115 144 R HA -0.033 4.307 4.340 -0.000 0.000 0.230 144 R C 2.256 178.575 176.300 0.032 0.000 1.111 144 R CA 0.759 56.885 56.100 0.044 0.000 0.976 144 R CB -0.487 29.835 30.300 0.036 0.000 0.870 144 R HN 0.316 nan 8.270 nan 0.000 0.445 145 L N 0.531 121.768 121.223 0.024 0.000 2.191 145 L HA -0.074 4.266 4.340 -0.000 0.000 0.212 145 L C 1.131 178.014 176.870 0.023 0.000 1.103 145 L CA 0.959 55.808 54.840 0.015 0.000 0.769 145 L CB -0.382 41.674 42.059 -0.005 0.000 0.908 145 L HN 0.242 nan 8.230 nan 0.000 0.438 146 A N -0.154 122.688 122.820 0.036 0.000 2.832 146 A HA -0.161 4.159 4.320 -0.000 0.000 0.280 146 A C 1.338 178.946 177.584 0.041 0.000 1.464 146 A CA 0.840 52.905 52.037 0.046 0.000 0.804 146 A CB -2.090 16.933 19.000 0.038 0.000 1.020 146 A HN 0.999 nan 8.150 nan 0.000 0.563 147 G N -1.655 107.166 108.800 0.035 0.000 2.159 147 G HA2 -0.385 3.575 3.960 -0.000 0.000 0.256 147 G HA3 -0.385 3.575 3.960 -0.000 0.000 0.256 147 G C 0.853 175.771 174.900 0.029 0.000 0.977 147 G CA 1.432 46.552 45.100 0.033 0.000 0.652 147 G HN 1.447 nan 8.290 nan 0.000 0.531 148 R N 0.159 120.674 120.500 0.024 0.000 2.094 148 R HA 0.131 4.471 4.340 -0.000 0.000 0.239 148 R C 1.365 177.685 176.300 0.032 0.000 1.137 148 R CA 2.538 58.654 56.100 0.027 0.000 0.943 148 R CB -0.198 30.116 30.300 0.023 0.000 0.850 148 R HN 1.119 nan 8.270 nan 0.000 0.433 149 V N -3.983 115.941 119.914 0.016 0.000 3.181 149 V HA 0.564 4.684 4.120 -0.000 0.000 0.308 149 V C -2.836 173.241 176.094 -0.028 0.000 1.214 149 V CA -2.815 59.490 62.300 0.008 0.000 1.053 149 V CB 1.748 33.569 31.823 -0.004 0.000 1.069 149 V HN 0.001 nan 8.190 nan 0.000 0.441 150 P HA 0.408 nan 4.420 nan 0.000 0.272 150 P C -1.011 176.193 177.300 -0.160 0.000 1.223 150 P CA -0.145 62.922 63.100 -0.055 0.000 0.784 150 P CB 0.552 32.283 31.700 0.053 0.000 0.923 151 L N 3.487 124.629 121.223 -0.136 0.000 2.287 151 L HA 0.430 4.770 4.340 -0.000 0.000 0.287 151 L C -0.756 176.023 176.870 -0.151 0.000 1.022 151 L CA -0.350 54.398 54.840 -0.153 0.000 0.814 151 L CB 0.103 42.091 42.059 -0.119 0.000 1.217 151 L HN 0.220 nan 8.230 nan 0.000 0.420 152 I N 4.994 125.433 120.570 -0.218 0.000 2.342 152 I HA 0.461 4.631 4.170 -0.000 0.000 0.291 152 I C 0.977 177.096 176.117 0.003 0.000 1.010 152 I CA -0.244 60.958 61.300 -0.163 0.000 1.308 152 I CB 1.295 39.055 38.000 -0.400 0.000 1.400 152 I HN 0.749 nan 8.210 nan 0.000 0.488 153 G N 5.341 114.171 108.800 0.051 0.000 2.488 153 G HA2 0.717 4.677 3.960 -0.000 0.000 0.318 153 G HA3 0.717 4.677 3.960 -0.000 0.000 0.318 153 G C -1.048 174.007 174.900 0.259 0.000 1.188 153 G CA -0.328 44.837 45.100 0.108 0.000 0.944 153 G HN 0.623 nan 8.290 nan 0.000 0.495 154 F N -1.798 118.195 119.950 0.072 0.000 2.713 154 F HA 0.854 5.381 4.527 -0.000 0.000 0.311 154 F C -0.499 175.420 175.800 0.197 0.000 1.141 154 F CA -1.108 57.020 58.000 0.213 0.000 0.939 154 F CB 1.322 40.590 39.000 0.448 0.000 1.325 154 F HN 0.954 nan 8.300 nan 0.000 0.453 155 A N 0.622 123.651 122.820 0.348 0.000 2.599 155 A HA 0.793 5.113 4.320 -0.000 0.000 0.290 155 A C -0.666 177.231 177.584 0.521 0.000 1.101 155 A CA -0.557 51.670 52.037 0.317 0.000 0.674 155 A CB 0.880 20.039 19.000 0.264 0.000 1.277 155 A HN 1.779 nan 8.150 nan 0.000 0.419 156 G N -0.111 108.931 108.800 0.403 0.000 2.467 156 G HA2 0.644 4.604 3.960 -0.000 0.000 0.257 156 G HA3 0.644 4.604 3.960 -0.000 0.000 0.257 156 G C 0.385 175.471 174.900 0.311 0.000 1.227 156 G CA 0.428 45.752 45.100 0.374 0.000 0.835 156 G HN 1.692 nan 8.290 nan 0.000 0.556 157 A N 3.364 126.366 122.820 0.303 0.000 2.366 157 A HA 0.565 4.885 4.320 -0.000 0.000 0.249 157 A C -0.765 176.948 177.584 0.215 0.000 1.084 157 A CA -0.967 51.224 52.037 0.257 0.000 0.794 157 A CB 0.604 19.756 19.000 0.253 0.000 1.034 157 A HN 0.458 nan 8.150 nan 0.000 0.491 158 P HA -0.208 nan 4.420 nan 0.000 0.215 158 P C 1.584 178.966 177.300 0.137 0.000 1.163 158 P CA 1.822 64.998 63.100 0.127 0.000 0.894 158 P CB -0.214 31.541 31.700 0.092 0.000 0.791 159 W N 0.212 121.536 121.300 0.039 0.000 2.355 159 W HA -0.175 4.485 4.660 -0.000 0.000 0.309 159 W C 1.497 178.058 176.519 0.072 0.000 1.206 159 W CA 1.904 59.263 57.345 0.024 0.000 1.284 159 W CB -1.179 28.305 29.460 0.039 0.000 1.145 159 W HN -0.066 nan 8.180 nan 0.000 0.502 160 T N 2.454 116.955 114.554 -0.088 0.000 2.720 160 T HA -0.207 4.143 4.350 -0.000 0.000 0.268 160 T C 1.981 176.678 174.700 -0.004 0.000 1.037 160 T CA 2.017 64.058 62.100 -0.098 0.000 1.144 160 T CB -0.609 68.372 68.868 0.188 0.000 0.864 160 T HN 0.154 nan 8.240 nan 0.000 0.444 161 L N 0.554 121.812 121.223 0.057 0.000 2.083 161 L HA -0.077 4.263 4.340 -0.000 0.000 0.209 161 L C 2.647 179.448 176.870 -0.116 0.000 1.083 161 L CA 1.295 56.172 54.840 0.060 0.000 0.752 161 L CB -0.568 41.522 42.059 0.052 0.000 0.899 161 L HN 0.352 nan 8.230 nan 0.000 0.433 162 M N 0.159 119.615 119.600 -0.240 0.000 2.117 162 M HA -0.216 4.264 4.480 -0.000 0.000 0.262 162 M C 2.425 178.397 176.300 -0.547 0.000 1.065 162 M CA 2.418 57.492 55.300 -0.377 0.000 1.114 162 M CB -0.286 32.135 32.600 -0.299 0.000 1.361 162 M HN 0.385 nan 8.290 nan 0.000 0.408 163 T N -1.555 112.548 114.554 -0.752 0.000 2.746 163 T HA -0.214 4.136 4.350 -0.000 0.000 0.267 163 T C 1.526 175.880 174.700 -0.577 0.000 1.039 163 T CA 1.634 63.234 62.100 -0.833 0.000 1.142 163 T CB -1.166 67.042 68.868 -1.100 0.000 0.866 163 T HN 0.600 nan 8.240 nan 0.000 0.444 164 Y N 1.279 121.381 120.300 -0.330 0.000 2.242 164 Y HA 0.146 4.696 4.550 -0.000 0.000 0.291 164 Y C 2.792 178.484 175.900 -0.347 0.000 1.137 164 Y CA 1.185 59.191 58.100 -0.157 0.000 1.181 164 Y CB -0.440 38.069 38.460 0.083 0.000 0.989 164 Y HN 0.170 nan 8.280 nan 0.000 0.527 165 M N -1.457 117.895 119.600 -0.413 0.000 2.254 165 M HA -0.161 4.319 4.480 -0.000 0.000 0.265 165 M C 1.795 177.773 176.300 -0.536 0.000 1.066 165 M CA 1.018 55.902 55.300 -0.693 0.000 1.123 165 M CB -0.222 32.023 32.600 -0.592 0.000 1.388 165 M HN 0.078 nan 8.290 nan 0.000 0.425 166 V N -0.479 119.126 119.914 -0.515 0.000 2.492 166 V HA -0.081 4.039 4.120 -0.000 0.000 0.241 166 V C 2.224 178.129 176.094 -0.315 0.000 1.041 166 V CA 1.240 63.230 62.300 -0.517 0.000 1.057 166 V CB -0.382 30.974 31.823 -0.778 0.000 0.711 166 V HN 0.324 nan 8.190 nan 0.000 0.468 167 E N 0.425 120.445 120.200 -0.299 0.000 2.208 167 E HA -0.019 4.331 4.350 -0.000 0.000 0.193 167 E C 1.904 178.452 176.600 -0.087 0.000 0.988 167 E CA 1.057 57.337 56.400 -0.201 0.000 0.828 167 E CB -0.197 29.340 29.700 -0.273 0.000 0.763 167 E HN 0.660 nan 8.360 nan 0.000 0.478 168 G N 0.380 109.167 108.800 -0.021 0.000 2.141 168 G HA2 -0.195 3.765 3.960 -0.000 0.000 0.242 168 G HA3 -0.195 3.765 3.960 -0.000 0.000 0.242 168 G C 0.544 175.599 174.900 0.259 0.000 0.982 168 G CA 0.610 45.808 45.100 0.164 0.000 0.662 168 G HN 0.760 nan 8.290 nan 0.000 0.527 169 G N -1.741 107.186 108.800 0.211 0.000 2.367 169 G HA2 0.621 4.581 3.960 -0.000 0.000 0.272 169 G HA3 0.621 4.581 3.960 -0.000 0.000 0.272 169 G C 0.349 175.253 174.900 0.005 0.000 1.271 169 G CA 0.669 45.923 45.100 0.257 0.000 0.893 169 G HN 1.735 nan 8.290 nan 0.000 0.485 170 G N -0.693 108.127 108.800 0.034 0.000 2.539 170 G HA2 0.595 4.555 3.960 -0.000 0.000 0.258 170 G HA3 0.595 4.555 3.960 -0.000 0.000 0.258 170 G C 0.006 174.814 174.900 -0.153 0.000 1.202 170 G CA 1.062 46.092 45.100 -0.118 0.000 0.851 170 G HN 1.592 nan 8.290 nan 0.000 0.556 171 S N -1.571 113.997 115.700 -0.219 0.000 2.537 171 S HA 0.434 4.904 4.470 -0.000 0.000 0.270 171 S C 0.997 175.537 174.600 -0.099 0.000 1.142 171 S CA 0.242 58.337 58.200 -0.174 0.000 0.870 171 S CB 1.486 64.522 63.200 -0.273 0.000 1.112 171 S HN 1.236 nan 8.310 nan 0.000 0.466 172 S N 1.626 117.320 115.700 -0.011 0.000 2.496 172 S HA 0.025 4.495 4.470 -0.000 0.000 0.224 172 S C 1.265 175.954 174.600 0.149 0.000 0.996 172 S CA 1.293 59.552 58.200 0.098 0.000 0.927 172 S CB -0.463 62.782 63.200 0.076 0.000 0.774 172 S HN 1.010 nan 8.310 nan 0.000 0.524 173 T N -2.841 111.714 114.554 0.003 0.000 2.969 173 T HA 0.324 4.674 4.350 -0.000 0.000 0.258 173 T C 0.687 175.311 174.700 -0.126 0.000 0.962 173 T CA 0.117 62.236 62.100 0.032 0.000 0.903 173 T CB -0.076 68.812 68.868 0.033 0.000 1.177 173 T HN 0.150 nan 8.240 nan 0.000 0.511 174 M N 0.888 120.294 119.600 -0.325 0.000 2.503 174 M HA -0.226 4.254 4.480 -0.000 0.000 0.199 174 M C 1.416 177.670 176.300 -0.076 0.000 0.466 174 M CA 0.737 55.857 55.300 -0.300 0.000 0.510 174 M CB -2.562 29.816 32.600 -0.371 0.000 1.858 174 M HN 0.615 nan 8.290 nan 0.000 0.799 175 A N -0.370 122.424 122.820 -0.043 0.000 1.933 175 A HA -0.192 4.128 4.320 -0.000 0.000 0.218 175 A C 2.070 179.679 177.584 0.042 0.000 1.175 175 A CA 2.017 54.067 52.037 0.021 0.000 0.628 175 A CB -0.249 18.761 19.000 0.015 0.000 0.814 175 A HN 0.741 nan 8.150 nan 0.000 0.444 176 Q N -0.982 118.819 119.800 0.001 0.000 2.096 176 Q HA 0.037 4.377 4.340 -0.000 0.000 0.197 176 Q C 2.428 178.465 176.000 0.062 0.000 0.964 176 Q CA 1.110 56.936 55.803 0.038 0.000 0.838 176 Q CB -0.296 28.436 28.738 -0.010 0.000 0.906 176 Q HN 0.670 nan 8.270 nan 0.000 0.444 177 A N 1.387 124.176 122.820 -0.051 0.000 1.930 177 A HA -0.176 4.144 4.320 -0.000 0.000 0.217 177 A C 1.846 179.554 177.584 0.206 0.000 1.175 177 A CA 1.296 53.304 52.037 -0.048 0.000 0.627 177 A CB -0.192 18.650 19.000 -0.264 0.000 0.815 177 A HN 0.148 nan 8.150 nan 0.000 0.443 178 K N -0.815 119.715 120.400 0.216 0.000 2.148 178 K HA -0.078 4.242 4.320 -0.000 0.000 0.204 178 K C 2.272 178.992 176.600 0.200 0.000 1.050 178 K CA 1.209 57.603 56.287 0.178 0.000 0.942 178 K CB -0.108 32.511 32.500 0.199 0.000 0.724 178 K HN 0.418 nan 8.250 nan 0.000 0.446 179 R N 0.039 120.667 120.500 0.214 0.000 2.081 179 R HA -0.161 4.179 4.340 -0.000 0.000 0.235 179 R C 1.711 178.126 176.300 0.192 0.000 1.131 179 R CA 1.484 57.708 56.100 0.207 0.000 0.960 179 R CB -0.149 30.243 30.300 0.154 0.000 0.856 179 R HN 0.227 nan 8.270 nan 0.000 0.436 180 W N 0.945 122.224 121.300 -0.036 0.000 2.335 180 W HA -0.171 4.489 4.660 -0.000 0.000 0.311 180 W C 1.875 178.277 176.519 -0.196 0.000 1.213 180 W CA 1.303 58.595 57.345 -0.088 0.000 1.274 180 W CB -0.600 28.803 29.460 -0.095 0.000 1.148 180 W HN 0.097 nan 8.180 nan 0.000 0.498 181 L N -1.778 119.371 121.223 -0.123 0.000 2.042 181 L HA -0.277 4.063 4.340 -0.000 0.000 0.210 181 L C 2.117 178.740 176.870 -0.411 0.000 1.076 181 L CA 1.577 56.015 54.840 -0.669 0.000 0.749 181 L CB -1.124 40.314 42.059 -1.035 0.000 0.893 181 L HN 0.072 nan 8.230 nan 0.000 0.432 182 Y N -0.567 119.670 120.300 -0.106 0.000 2.314 182 Y HA -0.092 4.458 4.550 -0.000 0.000 0.294 182 Y C 2.690 178.574 175.900 -0.025 0.000 1.119 182 Y CA 0.695 58.777 58.100 -0.030 0.000 1.179 182 Y CB 0.189 38.639 38.460 -0.017 0.000 1.025 182 Y HN 0.156 nan 8.280 nan 0.000 0.541 183 Q N -0.197 119.661 119.800 0.096 0.000 2.391 183 Q HA 0.128 4.468 4.340 -0.000 0.000 0.211 183 Q C 0.218 176.170 176.000 -0.080 0.000 0.908 183 Q CA 0.479 56.284 55.803 0.004 0.000 0.920 183 Q CB 0.480 29.201 28.738 -0.028 0.000 1.056 183 Q HN 0.350 nan 8.270 nan 0.000 0.523 184 R N 0.648 121.070 120.500 -0.131 0.000 2.782 184 R HA 0.190 4.530 4.340 -0.000 0.000 0.293 184 R C -2.188 174.059 176.300 -0.089 0.000 1.333 184 R CA -1.192 54.783 56.100 -0.208 0.000 1.479 184 R CB 0.686 30.653 30.300 -0.555 0.000 1.306 184 R HN 0.017 nan 8.270 nan 0.000 0.654 185 P HA -0.216 nan 4.420 nan 0.000 0.215 185 P C 0.921 178.326 177.300 0.176 0.000 1.153 185 P CA 1.346 64.528 63.100 0.137 0.000 0.853 185 P CB 0.404 32.255 31.700 0.252 0.000 0.788 186 Q N -0.318 119.569 119.800 0.145 0.000 2.046 186 Q HA -0.081 4.259 4.340 -0.000 0.000 0.200 186 Q C 2.428 178.526 176.000 0.164 0.000 0.975 186 Q CA 1.721 57.632 55.803 0.181 0.000 0.836 186 Q CB -0.657 28.144 28.738 0.104 0.000 0.896 186 Q HN 0.184 nan 8.270 nan 0.000 0.428 187 A N 0.550 123.412 122.820 0.070 0.000 1.930 187 A HA -0.160 4.160 4.320 -0.000 0.000 0.217 187 A C 2.280 180.021 177.584 0.262 0.000 1.175 187 A CA 1.565 53.656 52.037 0.090 0.000 0.627 187 A CB -0.471 18.439 19.000 -0.150 0.000 0.815 187 A HN 0.241 nan 8.150 nan 0.000 0.443 188 S N -0.622 115.229 115.700 0.251 0.000 2.359 188 S HA -0.188 4.282 4.470 -0.000 0.000 0.224 188 S C 1.941 176.653 174.600 0.187 0.000 1.035 188 S CA 1.428 59.773 58.200 0.242 0.000 1.018 188 S CB -0.597 62.599 63.200 -0.006 0.000 0.876 188 S HN 0.706 nan 8.310 nan 0.000 0.448 189 H N 1.143 120.402 119.070 0.315 0.000 2.387 189 H HA -0.041 4.515 4.556 -0.000 0.000 0.299 189 H C 2.396 177.820 175.328 0.160 0.000 1.090 189 H CA 1.483 57.703 56.048 0.287 0.000 1.332 189 H CB -0.541 29.399 29.762 0.297 0.000 1.386 189 H HN 0.493 nan 8.280 nan 0.000 0.516 190 Q N 0.169 120.128 119.800 0.264 0.000 2.061 190 Q HA -0.153 4.187 4.340 -0.000 0.000 0.204 190 Q C 2.345 178.412 176.000 0.112 0.000 0.984 190 Q CA 1.488 57.393 55.803 0.170 0.000 0.846 190 Q CB -0.085 28.742 28.738 0.148 0.000 0.902 190 Q HN 0.270 nan 8.270 nan 0.000 0.421 191 L N 0.443 121.734 121.223 0.113 0.000 2.056 191 L HA -0.130 4.210 4.340 -0.000 0.000 0.207 191 L C 2.014 178.850 176.870 -0.056 0.000 1.078 191 L CA 1.553 56.411 54.840 0.030 0.000 0.749 191 L CB -0.490 41.578 42.059 0.015 0.000 0.901 191 L HN 0.287 nan 8.230 nan 0.000 0.433 192 L N -0.691 120.457 121.223 -0.124 0.000 2.083 192 L HA -0.181 4.159 4.340 -0.000 0.000 0.209 192 L C 2.736 179.355 176.870 -0.417 0.000 1.083 192 L CA 1.317 55.913 54.840 -0.407 0.000 0.752 192 L CB -0.566 41.003 42.059 -0.817 0.000 0.899 192 L HN 0.271 nan 8.230 nan 0.000 0.433 193 R N 0.899 121.311 120.500 -0.147 0.000 2.075 193 R HA -0.103 4.237 4.340 -0.000 0.000 0.232 193 R C 2.075 178.411 176.300 0.061 0.000 1.126 193 R CA 1.525 57.675 56.100 0.082 0.000 0.963 193 R CB -0.596 29.816 30.300 0.186 0.000 0.858 193 R HN 0.243 nan 8.270 nan 0.000 0.435 194 I N 0.258 120.848 120.570 0.033 0.000 2.151 194 I HA -0.337 3.833 4.170 -0.000 0.000 0.243 194 I C 2.108 178.238 176.117 0.021 0.000 1.080 194 I CA 1.476 62.793 61.300 0.028 0.000 1.339 194 I CB -0.319 37.690 38.000 0.015 0.000 1.039 194 I HN 0.170 nan 8.210 nan 0.000 0.409 195 L N -0.162 121.057 121.223 -0.006 0.000 2.046 195 L HA -0.224 4.116 4.340 -0.000 0.000 0.208 195 L C 2.651 179.559 176.870 0.063 0.000 1.077 195 L CA 1.668 56.514 54.840 0.010 0.000 0.747 195 L CB -0.909 41.138 42.059 -0.019 0.000 0.896 195 L HN 0.269 nan 8.230 nan 0.000 0.432 196 T N -0.984 113.619 114.554 0.081 0.000 2.684 196 T HA -0.194 4.156 4.350 -0.000 0.000 0.267 196 T C 1.412 176.192 174.700 0.133 0.000 1.036 196 T CA 1.606 63.796 62.100 0.151 0.000 1.148 196 T CB -0.272 68.742 68.868 0.244 0.000 0.863 196 T HN 0.300 nan 8.240 nan 0.000 0.436 197 D N 0.953 121.419 120.400 0.110 0.000 2.264 197 D HA 0.075 4.715 4.640 -0.000 0.000 0.208 197 D C 2.103 178.456 176.300 0.088 0.000 0.966 197 D CA 0.793 54.850 54.000 0.095 0.000 0.864 197 D CB -0.235 40.613 40.800 0.081 0.000 0.933 197 D HN 0.436 nan 8.370 nan 0.000 0.499 198 A N 0.013 122.882 122.820 0.082 0.000 1.935 198 A HA 0.049 4.369 4.320 -0.000 0.000 0.214 198 A C 2.241 179.905 177.584 0.133 0.000 1.178 198 A CA 0.298 52.381 52.037 0.077 0.000 0.640 198 A CB -0.431 18.588 19.000 0.032 0.000 0.825 198 A HN 0.155 nan 8.150 nan 0.000 0.447 199 L N -0.474 120.843 121.223 0.157 0.000 2.093 199 L HA -0.124 4.216 4.340 -0.000 0.000 0.208 199 L C 2.500 179.498 176.870 0.214 0.000 1.085 199 L CA 0.763 55.742 54.840 0.230 0.000 0.755 199 L CB -0.476 41.709 42.059 0.211 0.000 0.904 199 L HN 0.226 nan 8.230 nan 0.000 0.435 200 V N 0.579 120.589 119.914 0.159 0.000 2.233 200 V HA -0.187 3.933 4.120 -0.000 0.000 0.247 200 V C -0.219 175.947 176.094 0.121 0.000 1.050 200 V CA 2.238 64.612 62.300 0.123 0.000 1.010 200 V CB -1.744 30.139 31.823 0.100 0.000 0.637 200 V HN 0.358 nan 8.190 nan 0.000 0.444 201 P HA -0.197 nan 4.420 nan 0.000 0.218 201 P C 1.531 178.968 177.300 0.229 0.000 1.149 201 P CA 1.605 64.788 63.100 0.139 0.000 0.817 201 P CB -0.179 31.599 31.700 0.130 0.000 0.785 202 Y N 1.072 121.452 120.300 0.134 0.000 2.133 202 Y HA -0.138 4.412 4.550 -0.000 0.000 0.287 202 Y C 2.261 178.274 175.900 0.188 0.000 1.134 202 Y CA 1.266 59.493 58.100 0.212 0.000 1.133 202 Y CB -1.326 37.197 38.460 0.106 0.000 0.987 202 Y HN -0.236 nan 8.280 nan 0.000 0.502 203 L N -1.156 120.066 121.223 -0.002 0.000 2.046 203 L HA -0.210 4.130 4.340 -0.000 0.000 0.208 203 L C 2.426 179.243 176.870 -0.089 0.000 1.077 203 L CA 1.137 55.897 54.840 -0.134 0.000 0.747 203 L CB -0.778 41.264 42.059 -0.029 0.000 0.896 203 L HN 0.075 nan 8.230 nan 0.000 0.432 204 V N 0.184 120.078 119.914 -0.034 0.000 2.343 204 V HA -0.225 3.895 4.120 -0.000 0.000 0.247 204 V C 2.609 178.604 176.094 -0.164 0.000 1.051 204 V CA 2.024 64.285 62.300 -0.064 0.000 1.036 204 V CB -1.257 30.551 31.823 -0.025 0.000 0.654 204 V HN 0.584 nan 8.190 nan 0.000 0.451 205 G N -1.205 107.447 108.800 -0.246 0.000 2.422 205 G HA2 -0.261 3.699 3.960 -0.000 0.000 0.218 205 G HA3 -0.261 3.699 3.960 -0.000 0.000 0.218 205 G C 1.477 175.891 174.900 -0.811 0.000 1.146 205 G CA 0.690 45.328 45.100 -0.769 0.000 0.769 205 G HN 0.548 nan 8.290 nan 0.000 0.547 206 Q N -0.270 119.335 119.800 -0.325 0.000 2.124 206 Q HA -0.069 4.271 4.340 -0.000 0.000 0.202 206 Q C 2.820 178.735 176.000 -0.142 0.000 0.977 206 Q CA 1.354 57.074 55.803 -0.138 0.000 0.850 206 Q CB -0.199 28.445 28.738 -0.156 0.000 0.901 206 Q HN 0.431 nan 8.270 nan 0.000 0.429 207 V N 0.047 119.878 119.914 -0.139 0.000 2.379 207 V HA -0.184 3.936 4.120 -0.000 0.000 0.245 207 V C 2.246 178.296 176.094 -0.072 0.000 1.044 207 V CA 1.120 63.370 62.300 -0.083 0.000 1.036 207 V CB -0.337 31.456 31.823 -0.050 0.000 0.664 207 V HN 0.160 nan 8.190 nan 0.000 0.453 208 V N 0.686 120.529 119.914 -0.120 0.000 2.380 208 V HA -0.299 3.821 4.120 -0.000 0.000 0.251 208 V C 2.593 178.677 176.094 -0.016 0.000 1.063 208 V CA 2.195 64.444 62.300 -0.085 0.000 1.055 208 V CB -1.059 30.668 31.823 -0.162 0.000 0.657 208 V HN 0.576 nan 8.190 nan 0.000 0.455 209 A N -1.240 121.531 122.820 -0.081 0.000 2.167 209 A HA 0.372 4.692 4.320 -0.000 0.000 0.214 209 A C 1.923 179.542 177.584 0.058 0.000 1.151 209 A CA 1.375 53.435 52.037 0.038 0.000 0.735 209 A CB -0.097 18.915 19.000 0.020 0.000 0.802 209 A HN 1.088 nan 8.150 nan 0.000 0.467 210 G N -2.642 106.108 108.800 -0.083 0.000 2.370 210 G HA2 0.253 4.213 3.960 -0.000 0.000 0.174 210 G HA3 0.253 4.213 3.960 -0.000 0.000 0.174 210 G C 0.353 175.079 174.900 -0.289 0.000 1.002 210 G CA -0.041 44.818 45.100 -0.400 0.000 0.730 210 G HN 1.344 nan 8.290 nan 0.000 0.497 211 A N 0.227 122.959 122.820 -0.148 0.000 2.546 211 A HA 0.544 4.864 4.320 -0.000 0.000 0.243 211 A C 1.014 178.558 177.584 -0.067 0.000 1.063 211 A CA 1.230 53.209 52.037 -0.097 0.000 0.757 211 A CB 0.213 19.175 19.000 -0.063 0.000 0.991 211 A HN 0.493 nan 8.150 nan 0.000 0.503 212 Q N 0.418 120.191 119.800 -0.046 0.000 2.247 212 Q HA 0.463 4.803 4.340 -0.000 0.000 0.211 212 Q C 0.106 176.140 176.000 0.056 0.000 0.861 212 Q CA 0.662 56.472 55.803 0.011 0.000 0.949 212 Q CB 0.669 29.415 28.738 0.014 0.000 1.115 212 Q HN 0.940 nan 8.270 nan 0.000 0.507 213 A N 0.475 123.317 122.820 0.037 0.000 2.608 213 A HA 0.706 5.025 4.320 -0.000 0.000 0.292 213 A C -1.959 175.646 177.584 0.035 0.000 1.066 213 A CA -0.641 51.425 52.037 0.050 0.000 0.676 213 A CB 1.123 20.229 19.000 0.176 0.000 1.277 213 A HN 0.140 nan 8.150 nan 0.000 0.413 214 L N 0.739 121.990 121.223 0.047 0.000 2.408 214 L HA 0.672 5.012 4.340 -0.000 0.000 0.268 214 L C -0.433 176.521 176.870 0.140 0.000 0.986 214 L CA -0.420 54.471 54.840 0.086 0.000 0.820 214 L CB 2.318 44.414 42.059 0.062 0.000 1.303 214 L HN 0.893 nan 8.230 nan 0.000 0.411 215 Q N 2.648 122.569 119.800 0.203 0.000 2.340 215 Q HA 0.564 4.904 4.340 -0.000 0.000 0.268 215 Q C -1.785 174.353 176.000 0.230 0.000 1.031 215 Q CA -0.755 55.144 55.803 0.161 0.000 0.804 215 Q CB 2.434 31.212 28.738 0.066 0.000 1.286 215 Q HN 0.523 nan 8.270 nan 0.000 0.448 216 L N 4.489 125.819 121.223 0.178 0.000 2.272 216 L HA 0.494 4.834 4.340 -0.000 0.000 0.289 216 L C -1.570 175.405 176.870 0.176 0.000 1.032 216 L CA 0.009 55.005 54.840 0.259 0.000 0.810 216 L CB 0.716 42.926 42.059 0.252 0.000 1.205 216 L HN 0.634 nan 8.230 nan 0.000 0.422 217 F N 3.314 123.440 119.950 0.294 0.000 2.350 217 F HA 0.282 4.809 4.527 -0.000 0.000 0.365 217 F C 0.685 176.587 175.800 0.170 0.000 1.122 217 F CA -0.428 57.732 58.000 0.266 0.000 1.139 217 F CB 0.916 40.100 39.000 0.308 0.000 1.220 217 F HN 0.470 nan 8.300 nan 0.000 0.499 218 E N 1.550 121.874 120.200 0.207 0.000 2.280 218 E HA 0.164 4.514 4.350 -0.000 0.000 0.279 218 E C 0.784 177.424 176.600 0.066 0.000 1.325 218 E CA 0.044 56.556 56.400 0.186 0.000 1.486 218 E CB -0.048 29.774 29.700 0.203 0.000 1.466 218 E HN 0.486 nan 8.360 nan 0.000 0.473 219 S N 0.577 116.302 115.700 0.042 0.000 2.419 219 S HA -0.137 4.333 4.470 -0.000 0.000 0.233 219 S C 0.577 175.034 174.600 -0.238 0.000 1.016 219 S CA 0.989 59.089 58.200 -0.166 0.000 0.974 219 S CB -0.273 62.837 63.200 -0.150 0.000 0.786 219 S HN 0.617 nan 8.310 nan 0.000 0.492 220 H N -0.170 119.025 119.070 0.208 0.000 2.488 220 H HA 0.493 5.049 4.556 -0.000 0.000 0.294 220 H C 1.628 177.308 175.328 0.588 0.000 1.088 220 H CA 0.128 56.383 56.048 0.344 0.000 1.086 220 H CB 0.147 30.001 29.762 0.152 0.000 1.569 220 H HN 0.342 nan 8.280 nan 0.000 0.548 221 A N 0.447 123.559 122.820 0.486 0.000 1.933 221 A HA -0.125 4.195 4.320 -0.000 0.000 0.218 221 A C 2.568 180.441 177.584 0.482 0.000 1.175 221 A CA 1.580 53.942 52.037 0.542 0.000 0.628 221 A CB -0.896 18.271 19.000 0.278 0.000 0.814 221 A HN 0.556 nan 8.150 nan 0.000 0.444 222 G N -1.519 107.443 108.800 0.271 0.000 2.471 222 G HA2 -0.175 3.785 3.960 -0.000 0.000 0.219 222 G HA3 -0.175 3.785 3.960 -0.000 0.000 0.219 222 G C 1.211 176.206 174.900 0.158 0.000 1.125 222 G CA 1.095 46.320 45.100 0.210 0.000 0.775 222 G HN 0.758 nan 8.290 nan 0.000 0.548 223 H N -0.413 118.840 119.070 0.304 0.000 2.521 223 H HA 0.161 4.717 4.556 -0.000 0.000 0.286 223 H C 2.402 177.820 175.328 0.151 0.000 1.034 223 H CA 0.577 56.766 56.048 0.234 0.000 1.278 223 H CB 0.115 30.057 29.762 0.300 0.000 1.386 223 H HN 0.284 nan 8.280 nan 0.000 0.567 224 L N -0.902 120.465 121.223 0.239 0.000 2.084 224 L HA 0.147 4.487 4.340 -0.000 0.000 0.202 224 L C 1.083 177.858 176.870 -0.158 0.000 1.074 224 L CA 0.476 55.325 54.840 0.015 0.000 0.757 224 L CB -0.338 41.723 42.059 0.003 0.000 0.918 224 L HN 0.497 nan 8.230 nan 0.000 0.444 225 G N -0.679 107.816 108.800 -0.509 0.000 2.787 225 G HA2 -0.176 3.784 3.960 -0.000 0.000 0.685 225 G HA3 -0.176 3.784 3.960 -0.000 0.000 0.685 225 G C -2.286 172.127 174.900 -0.811 0.000 1.437 225 G CA -0.376 44.141 45.100 -0.972 0.000 0.872 225 G HN 0.031 nan 8.290 nan 0.000 0.566 226 P HA -0.093 nan 4.420 nan 0.000 0.216 226 P C 1.773 179.056 177.300 -0.028 0.000 1.153 226 P CA 1.782 64.733 63.100 -0.247 0.000 0.848 226 P CB 0.034 31.646 31.700 -0.147 0.000 0.787 227 Q N -0.706 119.059 119.800 -0.059 0.000 2.046 227 Q HA -0.065 4.275 4.340 -0.000 0.000 0.200 227 Q C 2.334 178.345 176.000 0.018 0.000 0.975 227 Q CA 1.157 56.959 55.803 -0.003 0.000 0.836 227 Q CB -0.610 28.130 28.738 0.005 0.000 0.896 227 Q HN 0.238 nan 8.270 nan 0.000 0.428 228 L N -0.658 120.565 121.223 -0.000 0.000 2.109 228 L HA -0.118 4.222 4.340 -0.000 0.000 0.207 228 L C 2.208 179.106 176.870 0.047 0.000 1.086 228 L CA 0.659 55.508 54.840 0.015 0.000 0.760 228 L CB -0.290 41.689 42.059 -0.135 0.000 0.910 228 L HN 0.231 nan 8.230 nan 0.000 0.437 229 F N 1.387 121.292 119.950 -0.075 0.000 2.134 229 F HA -0.233 4.294 4.527 -0.000 0.000 0.299 229 F C 2.327 178.148 175.800 0.036 0.000 1.097 229 F CA 1.587 59.590 58.000 0.005 0.000 1.264 229 F CB -0.107 39.020 39.000 0.212 0.000 1.001 229 F HN 0.135 nan 8.300 nan 0.000 0.479 230 N N 0.455 119.298 118.700 0.239 0.000 2.244 230 N HA -0.128 4.612 4.740 -0.000 0.000 0.183 230 N C 1.681 177.163 175.510 -0.047 0.000 1.016 230 N CA 1.128 54.246 53.050 0.113 0.000 0.866 230 N CB -0.283 38.269 38.487 0.109 0.000 0.980 230 N HN 0.376 nan 8.380 nan 0.000 0.430 231 K N -0.933 119.406 120.400 -0.103 0.000 2.076 231 K HA 0.096 4.416 4.320 -0.000 0.000 0.204 231 K C 0.997 177.374 176.600 -0.372 0.000 1.051 231 K CA 0.911 57.014 56.287 -0.306 0.000 0.949 231 K CB 0.081 32.293 32.500 -0.481 0.000 0.726 231 K HN 0.114 nan 8.250 nan 0.000 0.443 232 F N -1.448 118.488 119.950 -0.023 0.000 2.740 232 F HA 0.242 4.769 4.527 -0.000 0.000 0.304 232 F C 1.782 177.624 175.800 0.071 0.000 1.098 232 F CA -0.030 58.003 58.000 0.055 0.000 1.258 232 F CB 0.561 39.452 39.000 -0.182 0.000 1.061 232 F HN -0.052 nan 8.300 nan 0.000 0.598 233 A N -0.308 122.455 122.820 -0.096 0.000 1.938 233 A HA 0.104 4.424 4.320 -0.000 0.000 0.207 233 A C 1.764 179.180 177.584 -0.280 0.000 1.292 233 A CA 0.410 52.283 52.037 -0.273 0.000 0.700 233 A CB -0.847 17.600 19.000 -0.921 0.000 0.947 233 A HN 0.194 nan 8.150 nan 0.000 0.476 234 L N 0.823 121.762 121.223 -0.474 0.000 2.042 234 L HA -0.035 4.305 4.340 -0.000 0.000 0.210 234 L C -0.957 175.865 176.870 -0.080 0.000 1.076 234 L CA 2.345 57.078 54.840 -0.178 0.000 0.749 234 L CB -1.076 40.980 42.059 -0.006 0.000 0.893 234 L HN 0.159 nan 8.230 nan 0.000 0.432 235 P HA -0.183 nan 4.420 nan 0.000 0.216 235 P C 1.026 178.136 177.300 -0.317 0.000 1.150 235 P CA 1.747 64.653 63.100 -0.322 0.000 0.837 235 P CB -0.146 31.193 31.700 -0.602 0.000 0.786 236 Y N -1.502 118.828 120.300 0.050 0.000 2.337 236 Y HA -0.001 4.549 4.550 -0.000 0.000 0.293 236 Y C 2.337 178.309 175.900 0.120 0.000 1.123 236 Y CA 0.369 58.523 58.100 0.091 0.000 1.201 236 Y CB -0.952 37.578 38.460 0.116 0.000 1.011 236 Y HN -0.149 nan 8.280 nan 0.000 0.545 237 I N 0.146 120.852 120.570 0.227 0.000 2.163 237 I HA -0.367 3.803 4.170 -0.000 0.000 0.243 237 I C 2.384 178.694 176.117 0.322 0.000 1.085 237 I CA 1.579 63.028 61.300 0.248 0.000 1.347 237 I CB -0.360 37.726 38.000 0.144 0.000 1.044 237 I HN 0.175 nan 8.210 nan 0.000 0.408 238 R N 0.530 121.154 120.500 0.207 0.000 2.073 238 R HA -0.179 4.161 4.340 -0.000 0.000 0.234 238 R C 1.968 178.331 176.300 0.105 0.000 1.134 238 R CA 1.768 57.968 56.100 0.166 0.000 0.952 238 R CB -0.381 29.964 30.300 0.075 0.000 0.850 238 R HN 0.372 nan 8.270 nan 0.000 0.433 239 D N 0.026 120.475 120.400 0.083 0.000 2.144 239 D HA -0.118 4.522 4.640 -0.000 0.000 0.199 239 D C 1.966 178.325 176.300 0.098 0.000 0.984 239 D CA 0.944 54.987 54.000 0.071 0.000 0.834 239 D CB -0.235 40.611 40.800 0.078 0.000 0.955 239 D HN 0.006 nan 8.370 nan 0.000 0.465 240 V N 1.494 121.501 119.914 0.156 0.000 2.255 240 V HA -0.266 3.854 4.120 -0.000 0.000 0.247 240 V C 2.553 178.684 176.094 0.062 0.000 1.051 240 V CA 1.960 64.350 62.300 0.151 0.000 1.018 240 V CB -0.845 31.119 31.823 0.235 0.000 0.641 240 V HN 0.200 nan 8.190 nan 0.000 0.445 241 A N -0.340 122.472 122.820 -0.014 0.000 1.877 241 A HA -0.278 4.041 4.320 -0.000 0.000 0.216 241 A C 2.373 179.883 177.584 -0.122 0.000 1.186 241 A CA 2.276 54.161 52.037 -0.253 0.000 0.620 241 A CB -0.529 18.068 19.000 -0.672 0.000 0.822 241 A HN 0.524 nan 8.150 nan 0.000 0.443 242 K N -0.500 119.868 120.400 -0.053 0.000 2.025 242 K HA -0.191 4.129 4.320 -0.000 0.000 0.207 242 K C 2.186 178.781 176.600 -0.009 0.000 1.049 242 K CA 1.727 57.998 56.287 -0.027 0.000 0.933 242 K CB -0.223 32.274 32.500 -0.006 0.000 0.714 242 K HN 0.651 nan 8.250 nan 0.000 0.438 243 Q N 0.090 119.896 119.800 0.011 0.000 2.123 243 Q HA -0.075 4.265 4.340 -0.000 0.000 0.199 243 Q C 2.150 178.161 176.000 0.017 0.000 0.966 243 Q CA 1.104 56.920 55.803 0.022 0.000 0.845 243 Q CB 0.143 28.907 28.738 0.043 0.000 0.907 243 Q HN 0.117 nan 8.270 nan 0.000 0.439 244 V N 1.593 121.514 119.914 0.012 0.000 2.295 244 V HA -0.284 3.836 4.120 -0.000 0.000 0.246 244 V C 2.034 178.126 176.094 -0.003 0.000 1.049 244 V CA 1.863 64.166 62.300 0.006 0.000 1.024 244 V CB -0.404 31.419 31.823 0.000 0.000 0.648 244 V HN 0.305 nan 8.190 nan 0.000 0.447 245 K N 0.149 120.540 120.400 -0.014 0.000 2.097 245 K HA -0.114 4.206 4.320 -0.000 0.000 0.206 245 K C 2.310 178.913 176.600 0.005 0.000 1.049 245 K CA 1.410 57.696 56.287 -0.002 0.000 0.933 245 K CB -0.413 32.083 32.500 -0.007 0.000 0.717 245 K HN 0.478 nan 8.250 nan 0.000 0.442 246 A N 1.878 124.700 122.820 0.003 0.000 1.877 246 A HA -0.181 4.139 4.320 -0.000 0.000 0.216 246 A C 2.085 179.673 177.584 0.007 0.000 1.186 246 A CA 1.339 53.380 52.037 0.006 0.000 0.620 246 A CB -0.409 18.596 19.000 0.007 0.000 0.822 246 A HN 0.203 nan 8.150 nan 0.000 0.443 247 R N -0.624 119.882 120.500 0.009 0.000 2.096 247 R HA -0.035 4.305 4.340 -0.000 0.000 0.235 247 R C 2.085 178.387 176.300 0.003 0.000 1.127 247 R CA 1.341 57.446 56.100 0.008 0.000 0.968 247 R CB -0.543 29.764 30.300 0.011 0.000 0.861 247 R HN 0.508 nan 8.270 nan 0.000 0.440 248 L N 0.193 121.418 121.223 0.003 0.000 2.027 248 L HA -0.166 4.174 4.340 -0.000 0.000 0.206 248 L C 2.668 179.541 176.870 0.005 0.000 1.074 248 L CA 1.397 56.239 54.840 0.003 0.000 0.745 248 L CB -0.397 41.668 42.059 0.010 0.000 0.898 248 L HN 0.142 nan 8.230 nan 0.000 0.433 249 R N 0.223 120.727 120.500 0.007 0.000 2.094 249 R HA -0.220 4.120 4.340 -0.000 0.000 0.239 249 R C 2.159 178.459 176.300 0.001 0.000 1.137 249 R CA 1.938 58.040 56.100 0.004 0.000 0.943 249 R CB -0.396 29.905 30.300 0.003 0.000 0.850 249 R HN 0.442 nan 8.270 nan 0.000 0.433 250 E N -0.039 120.162 120.200 0.002 0.000 2.204 250 E HA -0.139 4.211 4.350 -0.000 0.000 0.195 250 E C 1.584 178.184 176.600 0.000 0.000 0.990 250 E CA 0.986 57.387 56.400 0.001 0.000 0.821 250 E CB 0.010 29.712 29.700 0.003 0.000 0.750 250 E HN 0.375 nan 8.360 nan 0.000 0.477 251 A N 0.218 123.038 122.820 -0.001 0.000 2.238 251 A HA 0.272 4.592 4.320 -0.000 0.000 0.208 251 A C 1.679 179.262 177.584 -0.002 0.000 1.177 251 A CA 0.694 52.730 52.037 -0.003 0.000 0.804 251 A CB -0.222 18.774 19.000 -0.006 0.000 0.823 251 A HN 0.307 nan 8.150 nan 0.000 0.482 252 G N -1.293 107.506 108.800 -0.001 0.000 2.136 252 G HA2 -0.196 3.764 3.960 -0.000 0.000 0.242 252 G HA3 -0.196 3.764 3.960 -0.000 0.000 0.242 252 G C -0.011 174.890 174.900 0.002 0.000 0.989 252 G CA 0.400 45.499 45.100 -0.001 0.000 0.682 252 G HN 0.437 nan 8.290 nan 0.000 0.522 253 L N -0.086 121.140 121.223 0.005 0.000 2.332 253 L HA 0.839 5.179 4.340 -0.000 0.000 0.269 253 L C 0.962 177.841 176.870 0.016 0.000 1.016 253 L CA -0.744 54.103 54.840 0.013 0.000 0.809 253 L CB 1.662 43.729 42.059 0.013 0.000 1.280 253 L HN 0.263 nan 8.230 nan 0.000 0.447 254 A N 1.841 124.677 122.820 0.025 0.000 2.322 254 A HA 0.640 4.960 4.320 -0.000 0.000 0.269 254 A C -2.282 175.339 177.584 0.061 0.000 1.094 254 A CA -1.224 50.831 52.037 0.030 0.000 0.807 254 A CB -0.215 18.803 19.000 0.031 0.000 1.047 254 A HN 0.472 nan 8.150 nan 0.000 0.487 255 P HA 0.356 nan 4.420 nan 0.000 0.272 255 P C -0.399 177.043 177.300 0.237 0.000 1.230 255 P CA -0.031 63.157 63.100 0.147 0.000 0.788 255 P CB 0.887 32.704 31.700 0.194 0.000 0.949 256 V N -2.747 117.280 119.914 0.189 0.000 2.919 256 V HA 0.622 4.742 4.120 -0.000 0.000 0.316 256 V C -2.710 173.381 176.094 -0.005 0.000 1.077 256 V CA -3.183 59.223 62.300 0.177 0.000 0.977 256 V CB 1.180 33.044 31.823 0.067 0.000 1.039 256 V HN 0.340 nan 8.190 nan 0.000 0.441 257 P HA 0.320 nan 4.420 nan 0.000 0.268 257 P C -0.777 176.345 177.300 -0.297 0.000 1.204 257 P CA 0.196 62.869 63.100 -0.712 0.000 0.768 257 P CB 0.371 31.466 31.700 -1.008 0.000 0.842 258 M N 3.218 122.681 119.600 -0.227 0.000 2.383 258 M HA 0.462 4.941 4.480 -0.000 0.000 0.325 258 M C -0.205 176.183 176.300 0.147 0.000 1.092 258 M CA -0.598 54.693 55.300 -0.016 0.000 0.961 258 M CB 1.708 34.241 32.600 -0.111 0.000 1.672 258 M HN 0.157 nan 8.290 nan 0.000 0.438 259 I N 3.346 124.049 120.570 0.222 0.000 2.406 259 I HA 0.434 4.604 4.170 -0.000 0.000 0.290 259 I C -0.901 175.288 176.117 0.120 0.000 0.999 259 I CA -0.795 60.602 61.300 0.162 0.000 1.124 259 I CB 1.940 40.004 38.000 0.108 0.000 1.289 259 I HN 0.512 nan 8.210 nan 0.000 0.441 260 I N 7.225 127.745 120.570 -0.083 0.000 2.339 260 I HA 0.402 4.572 4.170 -0.000 0.000 0.290 260 I C -1.419 174.675 176.117 -0.038 0.000 0.994 260 I CA -0.417 60.700 61.300 -0.304 0.000 1.191 260 I CB 0.892 38.398 38.000 -0.824 0.000 1.343 260 I HN 0.353 nan 8.210 nan 0.000 0.458 261 F N 8.687 128.526 119.950 -0.185 0.000 2.366 261 F HA 0.749 5.276 4.527 -0.000 0.000 0.366 261 F C -0.390 175.378 175.800 -0.053 0.000 1.096 261 F CA -1.361 56.557 58.000 -0.137 0.000 1.060 261 F CB 0.894 39.758 39.000 -0.226 0.000 1.282 261 F HN 0.551 nan 8.300 nan 0.000 0.450 262 A N 6.977 129.630 122.820 -0.277 0.000 2.444 262 A HA 0.344 4.664 4.320 -0.000 0.000 0.332 262 A C 0.007 177.262 177.584 -0.549 0.000 1.430 262 A CA -0.772 51.074 52.037 -0.319 0.000 0.975 262 A CB -0.031 18.878 19.000 -0.151 0.000 1.147 262 A HN 0.741 nan 8.150 nan 0.000 0.524 263 K N 2.399 122.322 120.400 -0.795 0.000 2.401 263 K HA 0.114 4.434 4.320 -0.000 0.000 0.278 263 K C -0.513 175.877 176.600 -0.351 0.000 1.018 263 K CA 0.111 55.986 56.287 -0.685 0.000 0.981 263 K CB 0.193 32.273 32.500 -0.701 0.000 0.933 263 K HN 0.706 nan 8.250 nan 0.000 0.477 264 D N 2.160 122.378 120.400 -0.302 0.000 3.012 264 D HA -0.150 4.490 4.640 -0.000 0.000 0.222 264 D C 0.242 176.451 176.300 -0.151 0.000 1.167 264 D CA 1.335 55.221 54.000 -0.190 0.000 0.854 264 D CB -1.141 39.573 40.800 -0.144 0.000 1.107 264 D HN 0.844 nan 8.370 nan 0.000 0.421 265 G N -0.432 108.148 108.800 -0.367 0.000 3.591 265 G HA2 0.196 4.156 3.960 -0.000 0.000 0.282 265 G HA3 0.196 4.156 3.960 -0.000 0.000 0.282 265 G C 1.027 175.415 174.900 -0.853 0.000 1.238 265 G CA 0.223 44.809 45.100 -0.857 0.000 0.993 265 G HN 0.639 nan 8.290 nan 0.000 0.542 266 H N -0.741 118.002 119.070 -0.544 0.000 2.394 266 H HA -0.232 4.324 4.556 -0.000 0.000 0.297 266 H C 1.914 177.050 175.328 -0.320 0.000 1.113 266 H CA 1.729 57.576 56.048 -0.335 0.000 1.277 266 H CB -0.603 29.065 29.762 -0.157 0.000 1.370 266 H HN 0.474 nan 8.280 nan 0.000 0.506 267 F N 0.181 119.573 119.950 -0.929 0.000 2.604 267 F HA 0.366 4.893 4.527 -0.000 0.000 0.298 267 F C 1.991 177.536 175.800 -0.424 0.000 1.131 267 F CA 0.229 57.806 58.000 -0.704 0.000 1.457 267 F CB -0.210 38.315 39.000 -0.791 0.000 1.095 267 F HN 0.327 nan 8.300 nan 0.000 0.574 268 A N 0.177 122.521 122.820 -0.793 0.000 2.470 268 A HA 0.413 4.733 4.320 -0.000 0.000 0.251 268 A C 1.743 179.131 177.584 -0.327 0.000 1.245 268 A CA -0.239 51.459 52.037 -0.566 0.000 0.932 268 A CB -0.745 17.541 19.000 -1.190 0.000 1.037 268 A HN 0.439 nan 8.150 nan 0.000 0.522 269 L N -0.416 120.644 121.223 -0.271 0.000 2.083 269 L HA -0.189 4.151 4.340 -0.000 0.000 0.209 269 L C 2.476 179.307 176.870 -0.065 0.000 1.083 269 L CA 1.949 56.702 54.840 -0.145 0.000 0.752 269 L CB -0.277 41.722 42.059 -0.100 0.000 0.899 269 L HN 0.651 nan 8.230 nan 0.000 0.433 270 E N 0.139 120.309 120.200 -0.050 0.000 2.077 270 E HA -0.221 4.129 4.350 -0.000 0.000 0.193 270 E C 2.006 178.611 176.600 0.008 0.000 0.989 270 E CA 1.092 57.485 56.400 -0.011 0.000 0.800 270 E CB 0.173 29.870 29.700 -0.005 0.000 0.746 270 E HN 0.408 nan 8.360 nan 0.000 0.452 271 E N 0.523 120.730 120.200 0.010 0.000 2.106 271 E HA -0.146 4.204 4.350 -0.000 0.000 0.192 271 E C 2.347 178.989 176.600 0.070 0.000 0.984 271 E CA 0.644 57.076 56.400 0.053 0.000 0.806 271 E CB -0.135 29.622 29.700 0.095 0.000 0.750 271 E HN 0.412 nan 8.360 nan 0.000 0.458 272 L N 0.662 121.908 121.223 0.038 0.000 2.131 272 L HA -0.108 4.232 4.340 -0.000 0.000 0.210 272 L C 2.450 179.360 176.870 0.066 0.000 1.092 272 L CA 0.935 55.802 54.840 0.044 0.000 0.759 272 L CB -0.468 41.576 42.059 -0.025 0.000 0.903 272 L HN 0.045 nan 8.230 nan 0.000 0.435 273 A N -0.700 122.151 122.820 0.051 0.000 2.121 273 A HA -0.164 4.156 4.320 -0.000 0.000 0.218 273 A C 2.032 179.664 177.584 0.080 0.000 1.154 273 A CA 1.109 53.185 52.037 0.065 0.000 0.679 273 A CB -0.226 18.802 19.000 0.046 0.000 0.795 273 A HN 0.534 nan 8.150 nan 0.000 0.458 274 Q N -1.351 118.498 119.800 0.082 0.000 2.282 274 Q HA 0.327 4.667 4.340 -0.000 0.000 0.206 274 Q C 1.549 177.612 176.000 0.105 0.000 0.878 274 Q CA 0.397 56.248 55.803 0.079 0.000 0.944 274 Q CB 0.279 29.053 28.738 0.060 0.000 1.100 274 Q HN 0.582 nan 8.270 nan 0.000 0.509 275 A N 0.462 123.378 122.820 0.161 0.000 2.251 275 A HA 0.357 4.677 4.320 -0.000 0.000 0.209 275 A C 1.367 179.107 177.584 0.260 0.000 1.187 275 A CA 0.725 52.899 52.037 0.227 0.000 0.823 275 A CB -0.193 18.974 19.000 0.278 0.000 0.846 275 A HN 0.392 nan 8.150 nan 0.000 0.486 276 G N -2.129 106.772 108.800 0.169 0.000 2.130 276 G HA2 -0.237 3.723 3.960 -0.000 0.000 0.216 276 G HA3 -0.237 3.723 3.960 -0.000 0.000 0.216 276 G C -0.315 174.495 174.900 -0.150 0.000 0.999 276 G CA 0.094 45.200 45.100 0.011 0.000 0.686 276 G HN 0.380 nan 8.290 nan 0.000 0.515 277 Y N -0.138 120.175 120.300 0.022 0.000 2.360 277 Y HA 0.580 5.130 4.550 -0.000 0.000 0.337 277 Y C 1.371 177.250 175.900 -0.035 0.000 1.039 277 Y CA -0.840 57.256 58.100 -0.006 0.000 1.109 277 Y CB 1.503 39.970 38.460 0.012 0.000 1.201 277 Y HN 0.070 nan 8.280 nan 0.000 0.458 278 E N 1.116 121.314 120.200 -0.004 0.000 2.150 278 E HA -0.000 4.350 4.350 -0.000 0.000 0.193 278 E C -0.424 176.149 176.600 -0.044 0.000 0.985 278 E CA 0.850 57.196 56.400 -0.090 0.000 0.814 278 E CB 0.135 29.617 29.700 -0.364 0.000 0.752 278 E HN 0.292 nan 8.360 nan 0.000 0.466 279 V N 0.407 120.319 119.914 -0.003 0.000 2.656 279 V HA 0.352 4.472 4.120 -0.000 0.000 0.307 279 V C -0.649 175.479 176.094 0.056 0.000 1.051 279 V CA -0.994 61.306 62.300 0.000 0.000 0.893 279 V CB 2.323 34.114 31.823 -0.054 0.000 0.999 279 V HN -0.271 nan 8.190 nan 0.000 0.426 280 V N 3.233 123.178 119.914 0.053 0.000 2.378 280 V HA 0.670 4.790 4.120 -0.000 0.000 0.288 280 V C 0.753 176.892 176.094 0.077 0.000 1.016 280 V CA -0.293 62.040 62.300 0.054 0.000 0.840 280 V CB 1.642 33.495 31.823 0.051 0.000 0.994 280 V HN 1.007 nan 8.190 nan 0.000 0.431 281 G N 5.060 113.921 108.800 0.103 0.000 2.415 281 G HA2 0.645 4.605 3.960 -0.000 0.000 0.269 281 G HA3 0.645 4.605 3.960 -0.000 0.000 0.269 281 G C -0.840 174.224 174.900 0.273 0.000 1.209 281 G CA -0.391 44.776 45.100 0.111 0.000 0.835 281 G HN 0.581 nan 8.290 nan 0.000 0.534 282 L N 1.249 122.595 121.223 0.204 0.000 2.362 282 L HA 0.374 4.713 4.340 -0.000 0.000 0.271 282 L C -0.340 176.717 176.870 0.312 0.000 1.002 282 L CA -1.186 53.805 54.840 0.251 0.000 0.818 282 L CB 2.333 44.531 42.059 0.233 0.000 1.298 282 L HN 0.740 nan 8.230 nan 0.000 0.420 283 D N -0.685 119.870 120.400 0.258 0.000 2.433 283 D HA 0.063 4.703 4.640 -0.000 0.000 0.255 283 D C 0.607 176.982 176.300 0.125 0.000 1.226 283 D CA -0.570 53.544 54.000 0.189 0.000 1.015 283 D CB 0.547 41.260 40.800 -0.145 0.000 1.091 283 D HN 0.606 nan 8.370 nan 0.000 0.527 284 W N -1.228 120.110 121.300 0.063 0.000 3.180 284 W HA 0.103 4.763 4.660 -0.000 0.000 0.254 284 W C 1.297 177.819 176.519 0.006 0.000 1.318 284 W CA 0.430 57.794 57.345 0.032 0.000 1.608 284 W CB -0.779 28.683 29.460 0.004 0.000 1.124 284 W HN 0.396 nan 8.180 nan 0.000 0.694 285 T N -1.804 112.470 114.554 -0.467 0.000 3.081 285 T HA 0.110 4.460 4.350 -0.000 0.000 0.255 285 T C 0.465 175.048 174.700 -0.194 0.000 1.113 285 T CA 0.115 61.993 62.100 -0.371 0.000 1.082 285 T CB -0.539 68.020 68.868 -0.514 0.000 0.939 285 T HN -0.079 nan 8.240 nan 0.000 0.506 286 V N 2.584 122.420 119.914 -0.131 0.000 2.383 286 V HA 0.675 4.795 4.120 -0.000 0.000 0.275 286 V C 0.770 176.818 176.094 -0.077 0.000 1.036 286 V CA -1.373 60.874 62.300 -0.088 0.000 0.889 286 V CB 0.362 32.154 31.823 -0.051 0.000 0.985 286 V HN 0.631 nan 8.190 nan 0.000 0.459 287 A N 7.299 130.061 122.820 -0.096 0.000 2.488 287 A HA 0.393 4.713 4.320 -0.000 0.000 0.249 287 A C -1.174 176.275 177.584 -0.224 0.000 1.083 287 A CA -0.837 51.117 52.037 -0.137 0.000 0.768 287 A CB 0.039 18.970 19.000 -0.115 0.000 1.017 287 A HN 0.714 nan 8.150 nan 0.000 0.496 288 P HA -0.199 nan 4.420 nan 0.000 0.216 288 P C 1.149 178.174 177.300 -0.457 0.000 1.153 288 P CA 1.661 64.297 63.100 -0.774 0.000 0.858 288 P CB 0.119 30.874 31.700 -1.575 0.000 0.789 289 K N -0.274 119.933 120.400 -0.322 0.000 2.147 289 K HA -0.119 4.201 4.320 -0.000 0.000 0.205 289 K C 1.979 178.505 176.600 -0.123 0.000 1.049 289 K CA 1.275 57.448 56.287 -0.190 0.000 0.936 289 K CB -0.218 32.195 32.500 -0.145 0.000 0.722 289 K HN 0.199 nan 8.250 nan 0.000 0.446 290 K N 0.536 120.867 120.400 -0.116 0.000 2.103 290 K HA -0.031 4.289 4.320 -0.000 0.000 0.204 290 K C 2.246 178.814 176.600 -0.054 0.000 1.052 290 K CA 0.963 57.208 56.287 -0.070 0.000 0.945 290 K CB -0.093 32.371 32.500 -0.059 0.000 0.722 290 K HN 0.082 nan 8.250 nan 0.000 0.443 291 A N 1.742 124.522 122.820 -0.067 0.000 1.883 291 A HA -0.233 4.087 4.320 -0.000 0.000 0.217 291 A C 2.139 179.723 177.584 0.000 0.000 1.186 291 A CA 1.804 53.827 52.037 -0.023 0.000 0.624 291 A CB -0.451 18.553 19.000 0.007 0.000 0.822 291 A HN 0.124 nan 8.150 nan 0.000 0.444 292 R N 0.225 120.716 120.500 -0.016 0.000 2.096 292 R HA -0.113 4.227 4.340 -0.000 0.000 0.235 292 R C 1.960 178.265 176.300 0.009 0.000 1.127 292 R CA 1.987 58.095 56.100 0.015 0.000 0.968 292 R CB -0.492 29.807 30.300 -0.001 0.000 0.861 292 R HN 0.735 nan 8.270 nan 0.000 0.440 293 E N -0.961 119.233 120.200 -0.010 0.000 2.077 293 E HA -0.224 4.126 4.350 -0.000 0.000 0.193 293 E C 2.149 178.749 176.600 0.000 0.000 0.989 293 E CA 1.499 57.896 56.400 -0.006 0.000 0.800 293 E CB -0.220 29.471 29.700 -0.015 0.000 0.746 293 E HN 0.363 nan 8.360 nan 0.000 0.452 294 C N 0.305 119.604 119.300 -0.002 0.000 2.453 294 C HA -0.090 4.369 4.460 -0.000 0.000 0.277 294 C C 2.864 177.858 174.990 0.007 0.000 1.262 294 C CA 0.932 59.948 59.018 -0.003 0.000 1.718 294 C CB -0.744 26.988 27.740 -0.013 0.000 2.031 294 C HN 0.447 nan 8.230 nan 0.000 0.480 295 V N -0.762 119.163 119.914 0.018 0.000 3.052 295 V HA 0.497 4.617 4.120 -0.000 0.000 0.254 295 V C 1.116 177.231 176.094 0.035 0.000 1.100 295 V CA 0.976 63.294 62.300 0.029 0.000 1.112 295 V CB -1.367 30.483 31.823 0.045 0.000 0.738 295 V HN 0.850 nan 8.190 nan 0.000 0.469 296 G N 0.573 109.392 108.800 0.032 0.000 2.615 296 G HA2 -0.228 3.732 3.960 -0.000 0.000 0.218 296 G HA3 -0.228 3.732 3.960 -0.000 0.000 0.218 296 G C 0.232 175.158 174.900 0.043 0.000 1.339 296 G CA 0.261 45.380 45.100 0.033 0.000 0.884 296 G HN 0.363 nan 8.290 nan 0.000 0.559 297 K N -0.162 120.261 120.400 0.039 0.000 2.358 297 K HA 0.181 4.501 4.320 -0.000 0.000 0.197 297 K C 2.419 179.046 176.600 0.044 0.000 1.025 297 K CA 1.188 57.501 56.287 0.043 0.000 1.104 297 K CB 0.047 32.565 32.500 0.031 0.000 0.855 297 K HN 0.675 nan 8.250 nan 0.000 0.531 298 T N -1.374 113.208 114.554 0.046 0.000 2.925 298 T HA 0.002 4.352 4.350 -0.000 0.000 0.245 298 T C 1.053 175.788 174.700 0.059 0.000 1.025 298 T CA 0.475 62.605 62.100 0.049 0.000 1.149 298 T CB -0.380 68.518 68.868 0.050 0.000 0.866 298 T HN -0.062 nan 8.240 nan 0.000 0.437 299 V N 1.669 121.619 119.914 0.061 0.000 2.924 299 V HA 0.474 4.594 4.120 -0.000 0.000 0.305 299 V C 0.216 176.349 176.094 0.065 0.000 1.073 299 V CA -0.671 61.665 62.300 0.060 0.000 1.098 299 V CB 0.410 32.272 31.823 0.065 0.000 1.000 299 V HN 0.369 nan 8.190 nan 0.000 0.484 300 T N 5.347 119.926 114.554 0.042 0.000 2.856 300 T HA 0.530 4.880 4.350 -0.000 0.000 0.292 300 T C -0.081 174.657 174.700 0.063 0.000 0.980 300 T CA -0.173 61.953 62.100 0.043 0.000 1.091 300 T CB 0.575 69.426 68.868 -0.029 0.000 0.936 300 T HN 0.600 nan 8.240 nan 0.000 0.503 301 L N 3.165 124.460 121.223 0.119 0.000 2.343 301 L HA 0.528 4.868 4.340 -0.000 0.000 0.275 301 L C 0.267 177.171 176.870 0.057 0.000 1.056 301 L CA -0.609 54.321 54.840 0.149 0.000 0.804 301 L CB 1.402 43.650 42.059 0.314 0.000 1.203 301 L HN 0.555 nan 8.230 nan 0.000 0.440 302 Q N 1.600 121.407 119.800 0.010 0.000 2.356 302 Q HA 0.682 5.022 4.340 -0.000 0.000 0.270 302 Q C -0.516 175.421 176.000 -0.104 0.000 1.058 302 Q CA -0.133 55.602 55.803 -0.113 0.000 0.802 302 Q CB 2.353 31.049 28.738 -0.070 0.000 1.303 302 Q HN 0.820 nan 8.270 nan 0.000 0.444 303 G N 2.408 111.099 108.800 -0.182 0.000 2.278 303 G HA2 -0.040 3.920 3.960 -0.000 0.000 0.265 303 G HA3 -0.040 3.920 3.960 -0.000 0.000 0.265 303 G C -1.259 173.689 174.900 0.080 0.000 1.329 303 G CA -0.049 45.018 45.100 -0.055 0.000 1.017 303 G HN 0.823 nan 8.290 nan 0.000 0.472 304 N N -0.625 118.250 118.700 0.292 0.000 2.471 304 N HA 0.260 5.000 4.740 -0.000 0.000 0.270 304 N C -0.182 175.456 175.510 0.214 0.000 1.490 304 N CA -0.249 52.953 53.050 0.253 0.000 0.850 304 N CB 0.310 39.026 38.487 0.381 0.000 1.411 304 N HN 0.791 nan 8.380 nan 0.000 0.488 305 L N 1.982 123.268 121.223 0.105 0.000 2.499 305 L HA 0.163 4.503 4.340 -0.000 0.000 0.273 305 L C 0.349 177.127 176.870 -0.153 0.000 1.195 305 L CA 0.230 55.068 54.840 -0.004 0.000 0.882 305 L CB 0.149 42.147 42.059 -0.102 0.000 1.133 305 L HN 0.177 nan 8.230 nan 0.000 0.483 306 D N 7.479 127.771 120.400 -0.179 0.000 2.662 306 D HA -0.067 4.573 4.640 -0.000 0.000 0.233 306 D C -1.603 174.273 176.300 -0.707 0.000 1.129 306 D CA -1.014 52.596 54.000 -0.651 0.000 0.851 306 D CB 0.999 41.447 40.800 -0.587 0.000 1.152 306 D HN 0.397 nan 8.370 nan 0.000 0.507 307 P HA -0.127 nan 4.420 nan 0.000 0.218 307 P C 1.304 178.029 177.300 -0.959 0.000 1.148 307 P CA 0.673 63.225 63.100 -0.915 0.000 0.822 307 P CB 0.018 31.075 31.700 -1.072 0.000 0.784 308 C N -0.504 118.270 119.300 -0.876 0.000 2.449 308 C HA 0.157 4.616 4.460 -0.000 0.000 0.283 308 C C 2.916 177.620 174.990 -0.477 0.000 1.453 308 C CA 0.665 59.266 59.018 -0.694 0.000 1.779 308 C CB -1.934 25.649 27.740 -0.263 0.000 1.779 308 C HN 0.247 nan 8.230 nan 0.000 0.546 309 A N 0.659 123.214 122.820 -0.440 0.000 2.019 309 A HA -0.083 4.237 4.320 -0.000 0.000 0.219 309 A C 1.960 179.364 177.584 -0.300 0.000 1.164 309 A CA 1.213 53.078 52.037 -0.287 0.000 0.644 309 A CB -0.499 18.348 19.000 -0.255 0.000 0.805 309 A HN 0.661 nan 8.150 nan 0.000 0.449 310 L N -1.809 119.144 121.223 -0.450 0.000 2.549 310 L HA -0.130 4.210 4.340 -0.000 0.000 0.229 310 L C 1.882 178.628 176.870 -0.206 0.000 1.158 310 L CA 0.677 55.292 54.840 -0.375 0.000 0.842 310 L CB -0.592 41.190 42.059 -0.461 0.000 0.952 310 L HN 0.537 nan 8.230 nan 0.000 0.452 311 Y N 0.428 120.658 120.300 -0.118 0.000 2.509 311 Y HA 0.071 4.621 4.550 -0.000 0.000 0.293 311 Y C 1.895 177.751 175.900 -0.074 0.000 1.133 311 Y CA -0.433 57.649 58.100 -0.029 0.000 1.283 311 Y CB -0.095 38.338 38.460 -0.046 0.000 1.001 311 Y HN 0.164 nan 8.280 nan 0.000 0.555 312 A N 0.731 123.532 122.820 -0.032 0.000 2.366 312 A HA 0.250 4.570 4.320 -0.000 0.000 0.250 312 A C 0.666 178.080 177.584 -0.283 0.000 1.099 312 A CA -0.087 51.888 52.037 -0.104 0.000 0.794 312 A CB -0.093 18.844 19.000 -0.105 0.000 1.056 312 A HN 0.322 nan 8.150 nan 0.000 0.499 313 S N -0.341 115.248 115.700 -0.184 0.000 2.576 313 S HA 0.068 4.538 4.470 -0.000 0.000 0.272 313 S C 0.688 175.123 174.600 -0.274 0.000 1.352 313 S CA 0.502 58.584 58.200 -0.197 0.000 1.021 313 S CB 0.360 63.527 63.200 -0.055 0.000 0.887 313 S HN 0.689 nan 8.310 nan 0.000 0.542 314 E N 0.735 120.818 120.200 -0.196 0.000 2.130 314 E HA -0.245 4.105 4.350 -0.000 0.000 0.196 314 E C 1.954 178.524 176.600 -0.051 0.000 0.998 314 E CA 1.571 57.912 56.400 -0.098 0.000 0.806 314 E CB -0.165 29.563 29.700 0.047 0.000 0.738 314 E HN 0.917 nan 8.360 nan 0.000 0.459 315 E N 1.082 121.266 120.200 -0.027 0.000 2.051 315 E HA -0.246 4.104 4.350 -0.000 0.000 0.192 315 E C 1.802 178.397 176.600 -0.009 0.000 0.991 315 E CA 1.278 57.675 56.400 -0.005 0.000 0.799 315 E CB 0.094 29.796 29.700 0.004 0.000 0.748 315 E HN 0.239 nan 8.360 nan 0.000 0.449 316 E N 0.333 120.512 120.200 -0.035 0.000 2.077 316 E HA -0.173 4.177 4.350 -0.000 0.000 0.193 316 E C 2.159 178.740 176.600 -0.032 0.000 0.989 316 E CA 1.299 57.678 56.400 -0.034 0.000 0.800 316 E CB -0.078 29.592 29.700 -0.051 0.000 0.746 316 E HN 0.369 nan 8.360 nan 0.000 0.452 317 I N 0.651 121.184 120.570 -0.062 0.000 2.208 317 I HA -0.223 3.947 4.170 -0.000 0.000 0.245 317 I C 2.508 178.648 176.117 0.039 0.000 1.097 317 I CA 1.238 62.517 61.300 -0.034 0.000 1.363 317 I CB -0.576 37.377 38.000 -0.078 0.000 1.051 317 I HN 0.202 nan 8.210 nan 0.000 0.413 318 G N 0.086 108.911 108.800 0.043 0.000 2.440 318 G HA2 -0.269 3.691 3.960 -0.000 0.000 0.218 318 G HA3 -0.269 3.691 3.960 -0.000 0.000 0.218 318 G C 1.559 176.565 174.900 0.177 0.000 1.154 318 G CA 0.613 45.785 45.100 0.118 0.000 0.767 318 G HN 0.427 nan 8.290 nan 0.000 0.552 319 Q N -0.281 119.569 119.800 0.083 0.000 2.079 319 Q HA 0.130 4.470 4.340 -0.000 0.000 0.200 319 Q C 2.640 178.651 176.000 0.018 0.000 0.974 319 Q CA 0.729 56.551 55.803 0.030 0.000 0.840 319 Q CB -0.229 28.513 28.738 0.007 0.000 0.898 319 Q HN 0.423 nan 8.270 nan 0.000 0.430 320 L N -0.136 121.106 121.223 0.032 0.000 2.093 320 L HA -0.155 4.184 4.340 -0.000 0.000 0.208 320 L C 2.288 179.205 176.870 0.078 0.000 1.085 320 L CA 0.643 55.504 54.840 0.035 0.000 0.755 320 L CB -0.391 41.678 42.059 0.016 0.000 0.904 320 L HN 0.110 nan 8.230 nan 0.000 0.435 321 V N 0.137 120.124 119.914 0.122 0.000 2.295 321 V HA -0.309 3.811 4.120 -0.000 0.000 0.246 321 V C 2.596 178.777 176.094 0.146 0.000 1.049 321 V CA 1.851 64.253 62.300 0.171 0.000 1.024 321 V CB -0.541 31.378 31.823 0.160 0.000 0.648 321 V HN 0.452 nan 8.190 nan 0.000 0.447 322 K N -0.088 120.361 120.400 0.081 0.000 2.044 322 K HA -0.327 3.993 4.320 -0.000 0.000 0.210 322 K C 2.284 178.841 176.600 -0.072 0.000 1.049 322 K CA 2.327 58.519 56.287 -0.159 0.000 0.927 322 K CB -0.151 32.052 32.500 -0.495 0.000 0.713 322 K HN 0.404 nan 8.250 nan 0.000 0.443 323 Q N 0.856 120.633 119.800 -0.037 0.000 2.079 323 Q HA -0.139 4.201 4.340 -0.000 0.000 0.200 323 Q C 2.038 178.038 176.000 -0.001 0.000 0.974 323 Q CA 1.899 57.684 55.803 -0.029 0.000 0.840 323 Q CB -0.200 28.524 28.738 -0.023 0.000 0.898 323 Q HN 0.440 nan 8.270 nan 0.000 0.430 324 M N -0.948 118.688 119.600 0.061 0.000 2.086 324 M HA -0.174 4.306 4.480 -0.000 0.000 0.261 324 M C 1.189 177.591 176.300 0.169 0.000 1.067 324 M CA 1.378 56.758 55.300 0.133 0.000 1.116 324 M CB -0.040 32.711 32.600 0.252 0.000 1.348 324 M HN 0.342 nan 8.290 nan 0.000 0.407 325 L N 0.697 122.013 121.223 0.154 0.000 2.141 325 L HA -0.196 4.144 4.340 -0.000 0.000 0.209 325 L C 1.920 178.807 176.870 0.028 0.000 1.094 325 L CA 1.616 56.531 54.840 0.125 0.000 0.763 325 L CB -1.097 41.059 42.059 0.162 0.000 0.908 325 L HN 0.294 nan 8.230 nan 0.000 0.437 326 D N -0.381 120.014 120.400 -0.008 0.000 2.144 326 D HA -0.171 4.468 4.640 -0.000 0.000 0.199 326 D C 1.730 177.987 176.300 -0.072 0.000 0.984 326 D CA 1.109 55.083 54.000 -0.043 0.000 0.834 326 D CB -0.042 40.724 40.800 -0.055 0.000 0.955 326 D HN 0.297 nan 8.370 nan 0.000 0.465 327 D N -0.649 119.687 120.400 -0.107 0.000 2.117 327 D HA -0.074 4.566 4.640 -0.000 0.000 0.198 327 D C 1.875 178.016 176.300 -0.264 0.000 0.982 327 D CA 0.519 54.397 54.000 -0.204 0.000 0.828 327 D CB -0.380 40.246 40.800 -0.290 0.000 0.967 327 D HN 0.242 nan 8.370 nan 0.000 0.464 328 F N 0.450 120.229 119.950 -0.284 0.000 2.293 328 F HA 0.158 4.685 4.527 -0.000 0.000 0.297 328 F C 1.719 177.346 175.800 -0.288 0.000 1.089 328 F CA 0.770 58.516 58.000 -0.424 0.000 1.377 328 F CB -0.019 38.336 39.000 -1.075 0.000 1.051 328 F HN 0.007 nan 8.300 nan 0.000 0.511 329 G N 0.476 109.243 108.800 -0.055 0.000 2.846 329 G HA2 -0.224 3.736 3.960 -0.000 0.000 0.660 329 G HA3 -0.224 3.736 3.960 -0.000 0.000 0.660 329 G C -1.967 172.887 174.900 -0.077 0.000 1.464 329 G CA -0.409 44.647 45.100 -0.073 0.000 0.891 329 G HN 0.099 nan 8.290 nan 0.000 0.552 330 P HA -0.017 nan 4.420 nan 0.000 0.222 330 P C 0.463 177.723 177.300 -0.068 0.000 1.153 330 P CA 1.136 64.147 63.100 -0.149 0.000 0.798 330 P CB 0.023 31.560 31.700 -0.271 0.000 0.796 331 H N 0.657 119.785 119.070 0.096 0.000 2.511 331 H HA 0.311 4.867 4.556 -0.000 0.000 0.346 331 H C 0.650 176.045 175.328 0.113 0.000 1.128 331 H CA -0.413 55.686 56.048 0.085 0.000 1.342 331 H CB 0.400 30.199 29.762 0.062 0.000 1.470 331 H HN -0.029 nan 8.280 nan 0.000 0.546 332 R N 0.112 120.745 120.500 0.222 0.000 3.264 332 R HA -0.246 4.094 4.340 -0.000 0.000 0.251 332 R C -1.264 175.150 176.300 0.191 0.000 0.971 332 R CA 0.524 56.717 56.100 0.154 0.000 0.658 332 R CB -1.817 28.568 30.300 0.142 0.000 1.095 332 R HN 0.523 nan 8.270 nan 0.000 0.443 333 Y N -0.038 120.246 120.300 -0.027 0.000 2.479 333 Y HA 0.592 5.141 4.550 -0.000 0.000 0.338 333 Y C -1.051 174.769 175.900 -0.133 0.000 1.055 333 Y CA -1.670 56.358 58.100 -0.120 0.000 1.023 333 Y CB 1.401 39.782 38.460 -0.132 0.000 1.287 333 Y HN 0.114 nan 8.280 nan 0.000 0.447 334 I N 5.422 125.585 120.570 -0.679 0.000 2.447 334 I HA 0.674 4.844 4.170 -0.000 0.000 0.287 334 I C -0.274 175.258 176.117 -0.974 0.000 1.023 334 I CA -0.997 59.941 61.300 -0.603 0.000 1.083 334 I CB 1.841 39.751 38.000 -0.149 0.000 1.245 334 I HN 0.821 nan 8.210 nan 0.000 0.434 335 A N 5.669 127.951 122.820 -0.896 0.000 2.388 335 A HA 0.656 4.976 4.320 -0.000 0.000 0.257 335 A C -0.224 177.181 177.584 -0.300 0.000 1.095 335 A CA 0.040 51.704 52.037 -0.622 0.000 0.791 335 A CB 0.590 19.351 19.000 -0.399 0.000 1.029 335 A HN 0.786 nan 8.150 nan 0.000 0.489 336 N N 0.188 118.791 118.700 -0.160 0.000 3.261 336 N HA 0.327 5.067 4.740 -0.000 0.000 0.248 336 N C -1.167 174.257 175.510 -0.143 0.000 1.498 336 N CA -0.564 52.349 53.050 -0.228 0.000 0.884 336 N CB 0.522 38.643 38.487 -0.610 0.000 1.428 336 N HN 0.484 nan 8.380 nan 0.000 0.517 337 L N -0.055 120.945 121.223 -0.372 0.000 2.479 337 L HA 0.422 4.762 4.340 -0.000 0.000 0.249 337 L C 1.823 178.576 176.870 -0.195 0.000 1.178 337 L CA -0.204 54.409 54.840 -0.379 0.000 0.811 337 L CB 0.407 42.147 42.059 -0.531 0.000 1.187 337 L HN 0.815 nan 8.230 nan 0.000 0.480 338 G N -2.103 106.693 108.800 -0.007 0.000 2.985 338 G HA2 0.111 4.071 3.960 -0.000 0.000 0.209 338 G HA3 0.111 4.071 3.960 -0.000 0.000 0.209 338 G C 0.050 175.243 174.900 0.488 0.000 1.165 338 G CA 0.378 45.653 45.100 0.292 0.000 0.776 338 G HN 0.600 nan 8.290 nan 0.000 0.541 339 H N -2.041 117.101 119.070 0.119 0.000 2.865 339 H HA 0.449 5.005 4.556 -0.000 0.000 0.265 339 H C 0.214 175.522 175.328 -0.034 0.000 1.477 339 H CA -0.379 55.800 56.048 0.219 0.000 1.157 339 H CB 0.627 30.663 29.762 0.457 0.000 1.858 339 H HN 0.135 nan 8.280 nan 0.000 0.594 340 G N 0.786 109.461 108.800 -0.208 0.000 2.507 340 G HA2 0.455 4.415 3.960 -0.000 0.000 0.271 340 G HA3 0.455 4.415 3.960 -0.000 0.000 0.271 340 G C -0.323 174.402 174.900 -0.291 0.000 1.189 340 G CA -0.608 44.345 45.100 -0.244 0.000 0.859 340 G HN 0.534 nan 8.290 nan 0.000 0.542 341 L N 0.569 121.591 121.223 -0.335 0.000 2.485 341 L HA 0.085 4.425 4.340 -0.000 0.000 0.275 341 L C 0.074 176.871 176.870 -0.121 0.000 1.207 341 L CA 0.139 54.722 54.840 -0.428 0.000 0.855 341 L CB 0.195 41.889 42.059 -0.607 0.000 1.114 341 L HN 0.470 nan 8.230 nan 0.000 0.485 342 Y N 2.895 123.026 120.300 -0.283 0.000 2.354 342 Y HA 0.167 4.717 4.550 -0.000 0.000 0.322 342 Y C -1.267 174.598 175.900 -0.058 0.000 1.253 342 Y CA -2.215 55.797 58.100 -0.148 0.000 1.272 342 Y CB 0.637 39.037 38.460 -0.100 0.000 1.255 342 Y HN 0.502 nan 8.280 nan 0.000 0.500 343 P HA -0.149 nan 4.420 nan 0.000 0.222 343 P C 0.376 177.768 177.300 0.154 0.000 1.147 343 P CA 1.416 64.590 63.100 0.124 0.000 0.790 343 P CB 0.089 31.827 31.700 0.062 0.000 0.780 344 D N -2.125 118.386 120.400 0.185 0.000 2.342 344 D HA 0.020 4.660 4.640 -0.000 0.000 0.221 344 D C 0.455 176.894 176.300 0.232 0.000 1.101 344 D CA 0.047 54.159 54.000 0.187 0.000 0.837 344 D CB -0.587 40.316 40.800 0.172 0.000 0.938 344 D HN 0.150 nan 8.370 nan 0.000 0.508 345 M N 0.496 120.208 119.600 0.187 0.000 2.255 345 M HA 0.132 4.612 4.480 -0.000 0.000 0.336 345 M C 0.070 176.450 176.300 0.134 0.000 1.135 345 M CA -0.475 54.884 55.300 0.098 0.000 1.145 345 M CB 1.073 33.567 32.600 -0.176 0.000 1.473 345 M HN -0.216 nan 8.290 nan 0.000 0.462 346 D N 2.811 123.249 120.400 0.063 0.000 2.316 346 D HA 0.203 4.843 4.640 -0.000 0.000 0.245 346 D C -1.875 174.476 176.300 0.086 0.000 1.171 346 D CA -2.010 51.989 54.000 -0.001 0.000 0.856 346 D CB 1.387 42.008 40.800 -0.299 0.000 1.090 346 D HN 0.184 nan 8.370 nan 0.000 0.476 347 P HA -0.172 nan 4.420 nan 0.000 0.217 347 P C 0.958 178.452 177.300 0.324 0.000 1.151 347 P CA 1.057 64.413 63.100 0.426 0.000 0.849 347 P CB 0.385 32.297 31.700 0.353 0.000 0.787 348 E N -1.302 118.988 120.200 0.149 0.000 2.153 348 E HA -0.193 4.157 4.350 -0.000 0.000 0.194 348 E C 1.995 178.678 176.600 0.137 0.000 0.988 348 E CA 1.224 57.702 56.400 0.131 0.000 0.811 348 E CB -0.930 28.795 29.700 0.042 0.000 0.746 348 E HN 0.588 nan 8.360 nan 0.000 0.466 349 H N -0.321 118.764 119.070 0.026 0.000 2.462 349 H HA 0.002 4.558 4.556 -0.000 0.000 0.292 349 H C 2.162 177.412 175.328 -0.130 0.000 1.049 349 H CA 0.570 56.592 56.048 -0.044 0.000 1.334 349 H CB 0.453 30.179 29.762 -0.060 0.000 1.404 349 H HN -0.056 nan 8.280 nan 0.000 0.544 350 V N 0.328 120.182 119.914 -0.099 0.000 2.358 350 V HA -0.181 3.939 4.120 -0.000 0.000 0.246 350 V C 2.669 178.449 176.094 -0.524 0.000 1.047 350 V CA 1.844 63.925 62.300 -0.366 0.000 1.035 350 V CB -0.863 30.636 31.823 -0.539 0.000 0.658 350 V HN 0.593 nan 8.190 nan 0.000 0.452 351 G N -0.326 108.167 108.800 -0.512 0.000 2.422 351 G HA2 -0.179 3.781 3.960 -0.000 0.000 0.218 351 G HA3 -0.179 3.781 3.960 -0.000 0.000 0.218 351 G C 1.759 176.613 174.900 -0.078 0.000 1.146 351 G CA 0.970 45.915 45.100 -0.259 0.000 0.769 351 G HN 0.600 nan 8.290 nan 0.000 0.547 352 A N 0.452 123.268 122.820 -0.007 0.000 1.933 352 A HA 0.030 4.350 4.320 -0.000 0.000 0.218 352 A C 2.126 179.687 177.584 -0.037 0.000 1.175 352 A CA 1.609 53.648 52.037 0.004 0.000 0.628 352 A CB -0.521 18.509 19.000 0.049 0.000 0.814 352 A HN 0.415 nan 8.150 nan 0.000 0.444 353 F N 0.783 120.620 119.950 -0.189 0.000 2.075 353 F HA -0.140 4.387 4.527 -0.000 0.000 0.297 353 F C 2.246 177.907 175.800 -0.232 0.000 1.113 353 F CA 1.920 59.794 58.000 -0.210 0.000 1.218 353 F CB -0.606 38.234 39.000 -0.267 0.000 0.984 353 F HN 0.022 nan 8.300 nan 0.000 0.472 354 V N 0.785 120.447 119.914 -0.421 0.000 2.287 354 V HA -0.312 3.808 4.120 -0.000 0.000 0.248 354 V C 2.167 177.950 176.094 -0.518 0.000 1.053 354 V CA 2.321 64.297 62.300 -0.541 0.000 1.027 354 V CB -0.779 30.866 31.823 -0.297 0.000 0.646 354 V HN 0.285 nan 8.190 nan 0.000 0.447 355 D N 0.253 120.496 120.400 -0.262 0.000 2.178 355 D HA -0.105 4.535 4.640 -0.000 0.000 0.201 355 D C 2.158 178.325 176.300 -0.220 0.000 0.980 355 D CA 1.581 55.488 54.000 -0.156 0.000 0.842 355 D CB -0.253 40.506 40.800 -0.068 0.000 0.948 355 D HN 0.465 nan 8.370 nan 0.000 0.472 356 A N 0.449 123.100 122.820 -0.281 0.000 1.929 356 A HA -0.071 4.249 4.320 -0.000 0.000 0.216 356 A C 2.494 179.900 177.584 -0.297 0.000 1.176 356 A CA 0.751 52.594 52.037 -0.323 0.000 0.628 356 A CB -0.560 18.327 19.000 -0.188 0.000 0.816 356 A HN 0.123 nan 8.150 nan 0.000 0.444 357 V N -0.161 119.523 119.914 -0.383 0.000 2.287 357 V HA -0.324 3.796 4.120 -0.000 0.000 0.248 357 V C 2.301 178.340 176.094 -0.092 0.000 1.053 357 V CA 2.424 64.552 62.300 -0.287 0.000 1.027 357 V CB -1.178 30.334 31.823 -0.519 0.000 0.646 357 V HN 0.742 nan 8.190 nan 0.000 0.447 358 H N -0.251 118.738 119.070 -0.134 0.000 2.326 358 H HA -0.171 4.385 4.556 -0.000 0.000 0.301 358 H C 2.427 177.697 175.328 -0.096 0.000 1.081 358 H CA 1.709 57.696 56.048 -0.102 0.000 1.334 358 H CB 0.071 29.716 29.762 -0.195 0.000 1.385 358 H HN 0.347 nan 8.280 nan 0.000 0.504 359 K N 0.281 120.656 120.400 -0.041 0.000 1.985 359 K HA -0.192 4.128 4.320 -0.000 0.000 0.210 359 K C 1.857 178.436 176.600 -0.034 0.000 1.047 359 K CA 1.604 57.828 56.287 -0.105 0.000 0.932 359 K CB 0.017 32.368 32.500 -0.248 0.000 0.716 359 K HN 0.348 nan 8.250 nan 0.000 0.439 360 H N 0.167 119.250 119.070 0.022 0.000 2.457 360 H HA -0.037 4.519 4.556 -0.000 0.000 0.294 360 H C 2.379 177.737 175.328 0.051 0.000 1.064 360 H CA 1.526 57.591 56.048 0.028 0.000 1.330 360 H CB -0.250 29.522 29.762 0.017 0.000 1.395 360 H HN 0.436 nan 8.280 nan 0.000 0.541 361 S N 0.553 116.365 115.700 0.187 0.000 2.406 361 S HA -0.073 4.397 4.470 -0.000 0.000 0.228 361 S C 2.111 176.801 174.600 0.150 0.000 1.020 361 S CA 0.458 58.761 58.200 0.172 0.000 0.965 361 S CB 0.015 63.338 63.200 0.205 0.000 0.798 361 S HN 0.287 nan 8.310 nan 0.000 0.488 362 R N 0.802 121.387 120.500 0.142 0.000 2.075 362 R HA 0.195 4.535 4.340 -0.000 0.000 0.232 362 R C 2.301 178.653 176.300 0.087 0.000 1.126 362 R CA 1.327 57.494 56.100 0.111 0.000 0.963 362 R CB -0.616 29.730 30.300 0.076 0.000 0.858 362 R HN 0.397 nan 8.270 nan 0.000 0.435 363 L N 0.403 121.684 121.223 0.096 0.000 2.191 363 L HA -0.170 4.170 4.340 -0.000 0.000 0.212 363 L C 2.131 179.040 176.870 0.065 0.000 1.103 363 L CA 0.538 55.428 54.840 0.085 0.000 0.769 363 L CB -0.218 41.912 42.059 0.119 0.000 0.908 363 L HN 0.175 nan 8.230 nan 0.000 0.438 364 L N -0.536 120.729 121.223 0.070 0.000 2.395 364 L HA -0.075 4.265 4.340 -0.000 0.000 0.218 364 L C 2.415 179.302 176.870 0.028 0.000 1.130 364 L CA 1.466 56.330 54.840 0.041 0.000 0.826 364 L CB -0.361 41.724 42.059 0.043 0.000 0.941 364 L HN 0.065 nan 8.230 nan 0.000 0.451 365 R N -2.057 118.470 120.500 0.044 0.000 2.189 365 R HA 0.164 4.504 4.340 -0.000 0.000 0.203 365 R C 0.761 177.085 176.300 0.041 0.000 1.012 365 R CA 0.246 56.371 56.100 0.041 0.000 1.015 365 R CB 0.327 30.662 30.300 0.059 0.000 0.938 365 R HN 0.265 nan 8.270 nan 0.000 0.472 366 Q N 0.000 119.825 119.800 0.042 0.000 2.315 366 Q HA 0.000 4.340 4.340 -0.000 0.000 0.214 366 Q CA 0.000 55.825 55.803 0.036 0.000 1.022 366 Q CB 0.000 28.761 28.738 0.039 0.000 1.108 366 Q HN 0.000 nan 8.270 nan 0.000 0.481