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 1h86_1_A DATA FIRST_RESID 5 DATA SEQUENCE PRVIVVGAGM SGISAAKRLS EAGITDLLIL EATDHIGGRM HKTNFAGINV DATA SEQUENCE ELGANWVEGV NGGKMNPIWP IVNSTLKLRN FRSDFDYLAQ NVYKEDGGVY DATA SEQUENCE DEDYVQKRIE LADSVEEMGE KLSATLHASG RDDMSILAMQ RLNEHQPNGP DATA SEQUENCE ATPVDMVVDY YKFDYEFAEP PRVTSLQNTV PLATFSDFGD DVYFVADQRG DATA SEQUENCE YEAVVYYLAG QYLKTDDKSG KIVDPRLQLN KVVREIKYSP GGVTVKTEDN DATA SEQUENCE SVYSADYVMV SASLGVLQSD LIQFKPKLPT WKVRAIYQFD MAVYTKIFLK DATA SEQUENCE FPRKFWPEGK GREFFLYASS RRGYYGVWQE FEKQYPDANV LLVTVTDEES DATA SEQUENCE RRIEQQSDEQ TKAEIMQVLR KMFPGKDVPD ATDILVPRWW SDRFYKGTFS DATA SEQUENCE NWPVGVNRYE YDQLRAPVGR VYFTGEHTSE HYNGYVHGAY LSGIDSAEIL DATA SEQUENCE INcAQKKMc VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 5 P HA 0.000 nan 4.420 nan 0.000 0.216 5 P C 0.000 177.344 177.300 0.074 0.000 1.155 5 P CA 0.000 63.155 63.100 0.092 0.000 0.800 5 P CB 0.000 31.823 31.700 0.205 0.000 0.726 6 R N 0.837 121.381 120.500 0.073 0.000 2.297 6 R HA 0.623 4.963 4.340 -0.000 0.000 0.308 6 R C -0.969 175.380 176.300 0.082 0.000 1.029 6 R CA -0.419 55.712 56.100 0.051 0.000 0.929 6 R CB 0.851 31.171 30.300 0.033 0.000 1.046 6 R HN 0.266 nan 8.270 nan 0.000 0.461 7 V N 6.583 126.526 119.914 0.048 0.000 2.531 7 V HA 0.384 4.504 4.120 -0.000 0.000 0.301 7 V C -0.084 176.009 176.094 -0.002 0.000 1.034 7 V CA -0.762 61.566 62.300 0.047 0.000 0.865 7 V CB 1.872 33.691 31.823 -0.007 0.000 0.995 7 V HN 0.723 nan 8.190 nan 0.000 0.424 8 I N 4.407 124.975 120.570 -0.003 0.000 2.353 8 I HA 0.397 4.567 4.170 -0.000 0.000 0.293 8 I C -0.403 175.677 176.117 -0.061 0.000 0.992 8 I CA -0.629 60.640 61.300 -0.052 0.000 1.268 8 I CB 1.819 39.781 38.000 -0.063 0.000 1.387 8 I HN 0.296 nan 8.210 nan 0.000 0.478 9 V N 7.529 127.395 119.914 -0.081 0.000 2.350 9 V HA 0.231 4.351 4.120 -0.000 0.000 0.276 9 V C 0.083 176.123 176.094 -0.091 0.000 1.028 9 V CA -0.680 61.575 62.300 -0.076 0.000 0.860 9 V CB 1.569 33.354 31.823 -0.062 0.000 0.990 9 V HN 0.366 nan 8.190 nan 0.000 0.453 10 V N 4.917 124.783 119.914 -0.080 0.000 2.368 10 V HA 0.799 4.919 4.120 -0.000 0.000 0.266 10 V C 0.711 176.761 176.094 -0.073 0.000 1.045 10 V CA 0.505 62.751 62.300 -0.090 0.000 0.899 10 V CB 0.429 32.207 31.823 -0.075 0.000 1.006 10 V HN 1.282 nan 8.190 nan 0.000 0.470 11 G N 4.271 113.011 108.800 -0.101 0.000 2.907 11 G HA2 0.273 4.233 3.960 -0.000 0.000 0.686 11 G HA3 0.273 4.233 3.960 -0.000 0.000 0.686 11 G C -0.157 174.704 174.900 -0.065 0.000 1.115 11 G CA -0.291 44.754 45.100 -0.092 0.000 0.760 11 G HN 1.502 nan 8.290 nan 0.000 0.620 12 A N 1.582 124.357 122.820 -0.075 0.000 2.827 12 A HA 0.783 5.103 4.320 -0.000 0.000 0.300 12 A C 1.372 178.944 177.584 -0.021 0.000 1.237 12 A CA 1.129 53.132 52.037 -0.057 0.000 0.964 12 A CB -0.250 18.692 19.000 -0.097 0.000 1.143 12 A HN 2.168 nan 8.150 nan 0.000 0.554 13 G N -1.104 107.712 108.800 0.026 0.000 2.516 13 G HA2 0.340 4.300 3.960 -0.000 0.000 0.276 13 G HA3 0.340 4.300 3.960 -0.000 0.000 0.276 13 G C 0.923 175.863 174.900 0.066 0.000 1.390 13 G CA 0.211 45.357 45.100 0.078 0.000 1.050 13 G HN 0.318 nan 8.290 nan 0.000 0.519 14 M N 0.481 120.131 119.600 0.084 0.000 2.080 14 M HA -0.134 4.346 4.480 -0.000 0.000 0.260 14 M C 2.663 179.023 176.300 0.100 0.000 1.068 14 M CA 2.735 58.094 55.300 0.099 0.000 1.109 14 M CB -0.656 32.003 32.600 0.099 0.000 1.342 14 M HN 0.544 nan 8.290 nan 0.000 0.405 15 S N -0.877 114.869 115.700 0.076 0.000 2.383 15 S HA 0.032 4.501 4.470 -0.000 0.000 0.227 15 S C 2.195 176.803 174.600 0.012 0.000 1.026 15 S CA 0.937 59.159 58.200 0.037 0.000 0.981 15 S CB -1.752 61.464 63.200 0.026 0.000 0.818 15 S HN 0.596 nan 8.310 nan 0.000 0.472 16 G N 2.318 111.132 108.800 0.022 0.000 2.418 16 G HA2 -0.060 3.900 3.960 -0.000 0.000 0.217 16 G HA3 -0.060 3.900 3.960 -0.000 0.000 0.217 16 G C 1.396 176.307 174.900 0.019 0.000 1.158 16 G CA 0.954 46.056 45.100 0.003 0.000 0.771 16 G HN 0.454 nan 8.290 nan 0.000 0.545 17 I N 1.360 121.961 120.570 0.052 0.000 2.226 17 I HA -0.126 4.044 4.170 -0.000 0.000 0.245 17 I C 2.945 179.132 176.117 0.117 0.000 1.100 17 I CA 1.628 63.001 61.300 0.121 0.000 1.374 17 I CB -1.057 37.004 38.000 0.102 0.000 1.057 17 I HN 0.289 nan 8.210 nan 0.000 0.413 18 S N 0.646 116.385 115.700 0.064 0.000 2.383 18 S HA -0.092 4.378 4.470 -0.000 0.000 0.227 18 S C 2.187 176.711 174.600 -0.127 0.000 1.026 18 S CA 1.363 59.552 58.200 -0.018 0.000 0.981 18 S CB -0.059 63.104 63.200 -0.062 0.000 0.818 18 S HN 0.449 nan 8.310 nan 0.000 0.472 19 A N 1.284 124.039 122.820 -0.108 0.000 1.897 19 A HA 0.372 4.692 4.320 -0.000 0.000 0.215 19 A C 2.487 179.960 177.584 -0.186 0.000 1.181 19 A CA 1.513 53.463 52.037 -0.145 0.000 0.620 19 A CB -1.401 17.534 19.000 -0.110 0.000 0.821 19 A HN 0.768 nan 8.150 nan 0.000 0.443 20 A N 0.096 122.823 122.820 -0.155 0.000 1.978 20 A HA -0.202 4.118 4.320 -0.000 0.000 0.220 20 A C 2.108 179.352 177.584 -0.566 0.000 1.170 20 A CA 2.112 54.022 52.037 -0.212 0.000 0.636 20 A CB -0.451 18.544 19.000 -0.009 0.000 0.810 20 A HN 0.596 nan 8.150 nan 0.000 0.448 21 K N -0.699 119.293 120.400 -0.680 0.000 2.097 21 K HA -0.178 4.142 4.320 -0.000 0.000 0.205 21 K C 2.227 178.531 176.600 -0.494 0.000 1.050 21 K CA 1.511 57.212 56.287 -0.977 0.000 0.938 21 K CB -0.132 32.096 32.500 -0.453 0.000 0.718 21 K HN 0.274 nan 8.250 nan 0.000 0.442 22 R N 0.998 121.308 120.500 -0.317 0.000 2.115 22 R HA 0.029 4.369 4.340 -0.000 0.000 0.226 22 R C 2.019 178.189 176.300 -0.215 0.000 1.100 22 R CA 1.183 57.148 56.100 -0.224 0.000 0.980 22 R CB -0.474 29.711 30.300 -0.193 0.000 0.875 22 R HN 0.272 nan 8.270 nan 0.000 0.445 23 L N -0.395 120.683 121.223 -0.242 0.000 2.027 23 L HA -0.135 4.205 4.340 -0.000 0.000 0.206 23 L C 2.447 179.201 176.870 -0.195 0.000 1.074 23 L CA 1.735 56.450 54.840 -0.209 0.000 0.745 23 L CB -0.719 41.217 42.059 -0.205 0.000 0.898 23 L HN 0.301 nan 8.230 nan 0.000 0.433 24 S N -0.087 115.457 115.700 -0.261 0.000 2.374 24 S HA -0.246 4.224 4.470 -0.000 0.000 0.227 24 S C 1.791 176.302 174.600 -0.149 0.000 1.037 24 S CA 1.762 59.836 58.200 -0.210 0.000 1.024 24 S CB -0.179 62.817 63.200 -0.339 0.000 0.861 24 S HN 0.448 nan 8.310 nan 0.000 0.456 25 E N 0.487 120.587 120.200 -0.168 0.000 2.265 25 E HA -0.017 4.333 4.350 -0.000 0.000 0.196 25 E C 1.971 178.519 176.600 -0.086 0.000 0.996 25 E CA 0.875 57.212 56.400 -0.105 0.000 0.832 25 E CB -0.197 29.444 29.700 -0.099 0.000 0.756 25 E HN 0.617 nan 8.360 nan 0.000 0.491 26 A N 0.050 122.808 122.820 -0.104 0.000 2.238 26 A HA 0.285 4.605 4.320 -0.000 0.000 0.208 26 A C 1.733 179.273 177.584 -0.073 0.000 1.177 26 A CA 0.808 52.792 52.037 -0.087 0.000 0.804 26 A CB -0.102 18.835 19.000 -0.105 0.000 0.823 26 A HN 0.336 nan 8.150 nan 0.000 0.482 27 G N -0.964 107.794 108.800 -0.071 0.000 2.195 27 G HA2 -0.183 3.777 3.960 -0.000 0.000 0.224 27 G HA3 -0.183 3.777 3.960 -0.000 0.000 0.224 27 G C 0.159 175.027 174.900 -0.053 0.000 0.990 27 G CA 0.013 45.082 45.100 -0.051 0.000 0.639 27 G HN 0.449 nan 8.290 nan 0.000 0.514 28 I N 3.200 123.724 120.570 -0.076 0.000 2.260 28 I HA 0.264 4.434 4.170 -0.000 0.000 0.297 28 I C 1.702 177.780 176.117 -0.064 0.000 1.143 28 I CA 0.659 61.916 61.300 -0.071 0.000 1.271 28 I CB 0.754 38.693 38.000 -0.102 0.000 1.461 28 I HN 0.255 nan 8.210 nan 0.000 0.530 29 T N -0.968 113.565 114.554 -0.035 0.000 3.069 29 T HA 0.029 4.379 4.350 -0.000 0.000 0.252 29 T C 0.647 175.347 174.700 -0.000 0.000 1.053 29 T CA -0.256 61.836 62.100 -0.014 0.000 0.964 29 T CB -0.077 68.791 68.868 0.000 0.000 1.005 29 T HN 0.360 nan 8.240 nan 0.000 0.532 30 D N 1.889 122.287 120.400 -0.003 0.000 2.517 30 D HA 0.319 4.959 4.640 -0.000 0.000 0.220 30 D C -0.421 175.880 176.300 0.002 0.000 1.158 30 D CA -0.458 53.545 54.000 0.006 0.000 0.992 30 D CB -0.555 40.252 40.800 0.010 0.000 1.058 30 D HN 0.436 nan 8.370 nan 0.000 0.516 31 L N 2.238 123.463 121.223 0.002 0.000 2.330 31 L HA 0.590 4.930 4.340 -0.000 0.000 0.271 31 L C -0.622 176.239 176.870 -0.016 0.000 1.013 31 L CA -1.338 53.498 54.840 -0.007 0.000 0.816 31 L CB 1.954 44.015 42.059 0.004 0.000 1.287 31 L HN 0.161 nan 8.230 nan 0.000 0.435 32 L N 3.219 124.415 121.223 -0.045 0.000 2.491 32 L HA 0.544 4.884 4.340 -0.000 0.000 0.267 32 L C -1.141 175.657 176.870 -0.121 0.000 0.971 32 L CA 0.027 54.812 54.840 -0.092 0.000 0.857 32 L CB 1.360 43.339 42.059 -0.134 0.000 1.226 32 L HN 0.388 nan 8.230 nan 0.000 0.408 33 I N 6.155 126.660 120.570 -0.108 0.000 2.304 33 I HA 0.324 4.494 4.170 -0.000 0.000 0.291 33 I C -0.577 175.444 176.117 -0.161 0.000 1.018 33 I CA -0.355 60.879 61.300 -0.110 0.000 1.260 33 I CB 1.011 38.972 38.000 -0.065 0.000 1.390 33 I HN 0.456 nan 8.210 nan 0.000 0.475 34 L N 6.495 127.603 121.223 -0.192 0.000 2.262 34 L HA 0.427 4.767 4.340 -0.000 0.000 0.288 34 L C -0.153 176.601 176.870 -0.193 0.000 1.035 34 L CA -0.457 54.249 54.840 -0.223 0.000 0.820 34 L CB 1.163 43.058 42.059 -0.274 0.000 1.204 34 L HN 0.536 nan 8.230 nan 0.000 0.424 35 E N 2.460 122.543 120.200 -0.195 0.000 2.171 35 E HA 0.495 4.845 4.350 -0.000 0.000 0.271 35 E C 0.415 176.832 176.600 -0.305 0.000 0.916 35 E CA -0.270 55.992 56.400 -0.230 0.000 0.774 35 E CB 2.057 31.636 29.700 -0.201 0.000 1.128 35 E HN 0.556 nan 8.360 nan 0.000 0.403 36 A N 3.573 126.120 122.820 -0.455 0.000 1.902 36 A HA -0.045 4.275 4.320 -0.000 0.000 0.217 36 A C 1.358 178.569 177.584 -0.622 0.000 1.181 36 A CA 1.868 53.478 52.037 -0.711 0.000 0.623 36 A CB -1.117 17.000 19.000 -1.470 0.000 0.818 36 A HN 0.754 nan 8.150 nan 0.000 0.443 37 T N -1.900 112.338 114.554 -0.526 0.000 2.814 37 T HA 0.350 4.700 4.350 -0.000 0.000 0.284 37 T C 0.336 174.913 174.700 -0.206 0.000 0.998 37 T CA 0.210 62.126 62.100 -0.307 0.000 0.935 37 T CB 0.762 69.395 68.868 -0.391 0.000 1.167 37 T HN 0.342 nan 8.240 nan 0.000 0.545 38 D N -0.727 119.654 120.400 -0.032 0.000 2.325 38 D HA 0.073 4.713 4.640 -0.000 0.000 0.234 38 D C 0.607 176.999 176.300 0.154 0.000 1.122 38 D CA -0.213 53.829 54.000 0.069 0.000 0.850 38 D CB -0.635 40.246 40.800 0.135 0.000 0.921 38 D HN 0.851 nan 8.370 nan 0.000 0.513 39 H N -1.611 117.475 119.070 0.026 0.000 2.967 39 H HA 0.358 4.914 4.556 -0.000 0.000 0.318 39 H C -0.435 174.898 175.328 0.008 0.000 1.375 39 H CA -1.165 54.919 56.048 0.061 0.000 1.132 39 H CB 0.417 30.272 29.762 0.155 0.000 1.848 39 H HN 0.010 nan 8.280 nan 0.000 0.524 40 I N -2.310 118.296 120.570 0.059 0.000 3.078 40 I HA 0.657 4.827 4.170 -0.000 0.000 0.318 40 I C 1.139 177.319 176.117 0.105 0.000 1.016 40 I CA 0.101 61.358 61.300 -0.071 0.000 1.130 40 I CB 1.357 39.200 38.000 -0.261 0.000 1.397 40 I HN 0.958 nan 8.210 nan 0.000 0.570 41 G N 0.849 109.686 108.800 0.062 0.000 2.284 41 G HA2 -0.072 3.888 3.960 -0.000 0.000 0.216 41 G HA3 -0.072 3.888 3.960 -0.000 0.000 0.216 41 G C 1.023 176.054 174.900 0.219 0.000 1.009 41 G CA 0.223 45.427 45.100 0.173 0.000 0.625 41 G HN 2.021 nan 8.290 nan 0.000 0.501 42 G N 0.639 109.587 108.800 0.246 0.000 2.690 42 G HA2 -0.436 3.524 3.960 -0.000 0.000 0.334 42 G HA3 -0.436 3.524 3.960 -0.000 0.000 0.334 42 G C 1.046 176.138 174.900 0.319 0.000 1.250 42 G CA 1.717 47.035 45.100 0.362 0.000 0.994 42 G HN 1.222 nan 8.290 nan 0.000 0.549 43 R N 0.373 120.996 120.500 0.204 0.000 2.328 43 R HA 0.181 4.520 4.340 -0.000 0.000 0.207 43 R C 0.938 177.275 176.300 0.062 0.000 1.056 43 R CA 0.691 56.773 56.100 -0.030 0.000 1.016 43 R CB -0.144 30.031 30.300 -0.208 0.000 0.872 43 R HN 0.440 nan 8.270 nan 0.000 0.471 44 M N 0.360 120.045 119.600 0.142 0.000 2.055 44 M HA 0.186 4.666 4.480 -0.000 0.000 0.346 44 M C -0.993 175.505 176.300 0.330 0.000 1.074 44 M CA -0.313 55.058 55.300 0.117 0.000 1.009 44 M CB 1.276 33.847 32.600 -0.049 0.000 1.423 44 M HN -0.087 nan 8.290 nan 0.000 0.410 45 H N 2.943 122.153 119.070 0.233 0.000 2.966 45 H HA 0.426 4.982 4.556 -0.000 0.000 0.347 45 H C -1.336 174.089 175.328 0.161 0.000 1.048 45 H CA -0.926 55.254 56.048 0.218 0.000 1.295 45 H CB 1.443 31.376 29.762 0.285 0.000 1.744 45 H HN 0.604 nan 8.280 nan 0.000 0.513 46 K N 2.498 122.646 120.400 -0.419 0.000 2.132 46 K HA 0.745 5.064 4.320 -0.000 0.000 0.241 46 K C -0.876 175.455 176.600 -0.449 0.000 1.000 46 K CA -0.810 55.301 56.287 -0.294 0.000 0.911 46 K CB 2.081 34.472 32.500 -0.181 0.000 1.093 46 K HN 0.439 nan 8.250 nan 0.000 0.460 47 T N -0.215 114.182 114.554 -0.262 0.000 2.885 47 T HA 0.159 4.509 4.350 -0.000 0.000 0.322 47 T C -1.763 172.840 174.700 -0.162 0.000 1.387 47 T CA -0.875 61.102 62.100 -0.204 0.000 1.041 47 T CB 1.233 70.014 68.868 -0.145 0.000 1.287 47 T HN 0.753 nan 8.240 nan 0.000 0.491 48 N N 2.708 121.342 118.700 -0.110 0.000 2.488 48 N HA 0.420 5.160 4.740 -0.000 0.000 0.274 48 N C -1.447 174.052 175.510 -0.018 0.000 1.111 48 N CA 0.004 53.001 53.050 -0.089 0.000 0.974 48 N CB 0.527 38.969 38.487 -0.076 0.000 1.089 48 N HN 0.485 nan 8.380 nan 0.000 0.465 49 F N 3.095 122.907 119.950 -0.231 0.000 2.573 49 F HA 0.461 4.988 4.527 -0.000 0.000 0.316 49 F C 0.012 175.707 175.800 -0.175 0.000 1.148 49 F CA -0.288 57.590 58.000 -0.204 0.000 0.940 49 F CB 1.068 39.887 39.000 -0.301 0.000 1.214 49 F HN 0.655 nan 8.300 nan 0.000 0.448 50 A N 3.895 126.308 122.820 -0.677 0.000 2.687 50 A HA 0.162 4.482 4.320 -0.000 0.000 0.299 50 A C 1.667 179.094 177.584 -0.263 0.000 1.497 50 A CA 1.521 53.236 52.037 -0.537 0.000 0.751 50 A CB -2.213 16.400 19.000 -0.645 0.000 1.048 50 A HN 2.804 nan 8.150 nan 0.000 0.464 51 G N -2.067 106.619 108.800 -0.189 0.000 2.175 51 G HA2 -0.186 3.774 3.960 -0.000 0.000 0.265 51 G HA3 -0.186 3.774 3.960 -0.000 0.000 0.265 51 G C 0.360 175.191 174.900 -0.115 0.000 0.979 51 G CA 1.086 46.111 45.100 -0.124 0.000 0.663 51 G HN 2.503 nan 8.290 nan 0.000 0.533 52 I N -4.013 116.466 120.570 -0.152 0.000 3.042 52 I HA 0.685 4.855 4.170 -0.000 0.000 0.310 52 I C -0.925 175.070 176.117 -0.203 0.000 1.117 52 I CA -1.614 59.579 61.300 -0.178 0.000 1.003 52 I CB 1.896 39.725 38.000 -0.284 0.000 1.228 52 I HN -0.170 nan 8.210 nan 0.000 0.443 53 N N 3.116 121.699 118.700 -0.194 0.000 2.422 53 N HA 0.530 5.270 4.740 -0.000 0.000 0.266 53 N C -0.469 174.878 175.510 -0.271 0.000 1.007 53 N CA -0.276 52.660 53.050 -0.190 0.000 0.941 53 N CB 1.897 40.313 38.487 -0.117 0.000 1.115 53 N HN 0.607 nan 8.380 nan 0.000 0.492 54 V N -0.680 119.021 119.914 -0.355 0.000 3.019 54 V HA 0.598 4.718 4.120 -0.000 0.000 0.317 54 V C -0.002 175.949 176.094 -0.238 0.000 1.094 54 V CA -0.929 61.112 62.300 -0.431 0.000 1.000 54 V CB 2.238 33.456 31.823 -1.008 0.000 1.060 54 V HN 0.309 nan 8.190 nan 0.000 0.443 55 E N 1.733 121.913 120.200 -0.033 0.000 2.167 55 E HA 0.399 4.749 4.350 -0.000 0.000 0.284 55 E C 0.523 177.287 176.600 0.274 0.000 1.016 55 E CA -0.185 56.285 56.400 0.117 0.000 0.817 55 E CB 1.853 31.646 29.700 0.155 0.000 1.080 55 E HN 0.713 nan 8.360 nan 0.000 0.397 56 L N 1.443 122.845 121.223 0.298 0.000 2.240 56 L HA 0.017 4.356 4.340 -0.000 0.000 0.211 56 L C 1.461 178.788 176.870 0.762 0.000 1.106 56 L CA 1.084 56.221 54.840 0.496 0.000 0.793 56 L CB -0.010 42.293 42.059 0.406 0.000 0.927 56 L HN 0.507 nan 8.230 nan 0.000 0.446 57 G N -0.980 108.166 108.800 0.577 0.000 3.414 57 G HA2 0.547 4.507 3.960 -0.000 0.000 0.189 57 G HA3 0.547 4.507 3.960 -0.000 0.000 0.189 57 G C -0.354 174.682 174.900 0.226 0.000 1.329 57 G CA 0.173 45.441 45.100 0.281 0.000 0.851 57 G HN 0.168 nan 8.290 nan 0.000 0.671 58 A N -0.627 122.269 122.820 0.126 0.000 2.520 58 A HA 0.351 4.671 4.320 -0.000 0.000 0.235 58 A C 0.638 178.445 177.584 0.370 0.000 1.065 58 A CA 0.992 53.147 52.037 0.197 0.000 0.764 58 A CB 0.056 19.089 19.000 0.054 0.000 1.002 58 A HN 0.711 nan 8.150 nan 0.000 0.502 59 N N -0.340 118.576 118.700 0.359 0.000 2.218 59 N HA 0.130 4.870 4.740 -0.000 0.000 0.224 59 N C -0.448 174.855 175.510 -0.345 0.000 1.248 59 N CA -0.306 52.681 53.050 -0.104 0.000 0.875 59 N CB 0.318 38.495 38.487 -0.517 0.000 1.165 59 N HN 0.769 nan 8.380 nan 0.000 0.485 60 W N 1.507 122.861 121.300 0.089 0.000 2.647 60 W HA 0.532 5.192 4.660 -0.000 0.000 0.353 60 W C -0.631 176.001 176.519 0.188 0.000 1.080 60 W CA -0.586 56.815 57.345 0.094 0.000 1.208 60 W CB 1.249 30.837 29.460 0.213 0.000 1.396 60 W HN -0.405 nan 8.180 nan 0.000 0.573 61 V N 2.336 122.494 119.914 0.406 0.000 2.348 61 V HA 0.125 4.245 4.120 -0.000 0.000 0.270 61 V C -0.037 176.253 176.094 0.328 0.000 1.037 61 V CA -0.425 62.100 62.300 0.375 0.000 0.872 61 V CB 0.643 32.670 31.823 0.340 0.000 1.002 61 V HN 0.375 nan 8.190 nan 0.000 0.464 62 E N 3.479 123.848 120.200 0.281 0.000 2.156 62 E HA 0.614 4.964 4.350 -0.000 0.000 0.279 62 E C 0.439 176.978 176.600 -0.101 0.000 0.965 62 E CA -0.283 56.214 56.400 0.161 0.000 0.789 62 E CB 1.839 31.619 29.700 0.134 0.000 1.098 62 E HN 0.958 nan 8.360 nan 0.000 0.397 63 G N 1.479 110.277 108.800 -0.004 0.000 2.780 63 G HA2 -0.096 3.864 3.960 -0.000 0.000 0.364 63 G HA3 -0.096 3.864 3.960 -0.000 0.000 0.364 63 G C -0.726 174.106 174.900 -0.113 0.000 1.045 63 G CA -0.656 44.415 45.100 -0.049 0.000 1.202 63 G HN 0.349 nan 8.290 nan 0.000 0.534 64 V N 2.759 122.633 119.914 -0.067 0.000 3.049 64 V HA 0.735 4.855 4.120 -0.000 0.000 0.309 64 V C 0.705 176.739 176.094 -0.100 0.000 1.148 64 V CA -0.306 61.832 62.300 -0.269 0.000 0.990 64 V CB 2.028 33.479 31.823 -0.621 0.000 1.039 64 V HN 0.996 nan 8.190 nan 0.000 0.430 65 N N 0.701 119.330 118.700 -0.118 0.000 2.878 65 N HA -0.135 4.605 4.740 -0.000 0.000 0.247 65 N C 0.334 175.862 175.510 0.030 0.000 1.021 65 N CA 1.257 54.302 53.050 -0.009 0.000 0.873 65 N CB -0.997 37.511 38.487 0.034 0.000 1.128 65 N HN 1.048 nan 8.380 nan 0.000 0.571 66 G N -0.679 108.148 108.800 0.045 0.000 2.641 66 G HA2 0.546 4.506 3.960 -0.000 0.000 0.239 66 G HA3 0.546 4.506 3.960 -0.000 0.000 0.239 66 G C 1.147 176.086 174.900 0.066 0.000 1.402 66 G CA 0.145 45.282 45.100 0.063 0.000 1.046 66 G HN 0.135 nan 8.290 nan 0.000 0.565 67 G N -1.161 107.673 108.800 0.056 0.000 2.443 67 G HA2 0.081 4.041 3.960 -0.000 0.000 0.219 67 G HA3 0.081 4.041 3.960 -0.000 0.000 0.219 67 G C 0.752 175.699 174.900 0.078 0.000 1.131 67 G CA 0.661 45.791 45.100 0.049 0.000 0.775 67 G HN 0.463 nan 8.290 nan 0.000 0.547 68 K N -1.050 119.432 120.400 0.136 0.000 2.400 68 K HA 0.534 4.854 4.320 -0.000 0.000 0.246 68 K C -1.247 175.522 176.600 0.282 0.000 0.995 68 K CA -1.139 55.273 56.287 0.207 0.000 0.840 68 K CB 2.119 34.778 32.500 0.265 0.000 1.293 68 K HN 0.018 nan 8.250 nan 0.000 0.445 69 M N 2.833 122.540 119.600 0.179 0.000 2.105 69 M HA 0.136 4.616 4.480 -0.000 0.000 0.350 69 M C -0.431 175.686 176.300 -0.304 0.000 1.308 69 M CA -0.370 54.940 55.300 0.016 0.000 1.108 69 M CB 0.158 32.772 32.600 0.023 0.000 1.622 69 M HN 0.398 nan 8.290 nan 0.000 0.468 70 N N 7.470 125.727 118.700 -0.739 0.000 2.440 70 N HA 0.075 4.815 4.740 -0.000 0.000 0.265 70 N C -1.916 173.227 175.510 -0.611 0.000 1.239 70 N CA -1.260 50.900 53.050 -1.485 0.000 0.909 70 N CB 0.930 38.752 38.487 -1.109 0.000 1.066 70 N HN 0.484 nan 8.380 nan 0.000 0.474 71 P HA -0.151 nan 4.420 nan 0.000 0.219 71 P C 1.402 178.531 177.300 -0.285 0.000 1.146 71 P CA 0.819 63.773 63.100 -0.244 0.000 0.808 71 P CB 0.360 32.008 31.700 -0.086 0.000 0.779 72 I N -1.652 118.759 120.570 -0.266 0.000 2.546 72 I HA -0.136 4.034 4.170 -0.000 0.000 0.255 72 I C 2.514 178.610 176.117 -0.034 0.000 1.163 72 I CA 0.678 61.883 61.300 -0.158 0.000 1.457 72 I CB -1.489 36.517 38.000 0.010 0.000 1.092 72 I HN 0.131 nan 8.210 nan 0.000 0.434 73 W N 3.487 124.636 121.300 -0.252 0.000 2.335 73 W HA -0.170 4.490 4.660 -0.000 0.000 0.311 73 W C -0.769 175.626 176.519 -0.207 0.000 1.213 73 W CA 1.452 58.661 57.345 -0.226 0.000 1.274 73 W CB -1.241 28.065 29.460 -0.257 0.000 1.148 73 W HN 0.063 nan 8.180 nan 0.000 0.498 74 P HA -0.170 nan 4.420 nan 0.000 0.218 74 P C 1.623 178.695 177.300 -0.380 0.000 1.149 74 P CA 1.972 64.846 63.100 -0.376 0.000 0.817 74 P CB -0.296 31.289 31.700 -0.193 0.000 0.785 75 I N -1.553 118.837 120.570 -0.300 0.000 2.252 75 I HA -0.177 3.993 4.170 -0.000 0.000 0.245 75 I C 2.169 178.075 176.117 -0.350 0.000 1.102 75 I CA 1.214 62.319 61.300 -0.325 0.000 1.385 75 I CB -0.642 37.203 38.000 -0.258 0.000 1.064 75 I HN -0.169 nan 8.210 nan 0.000 0.414 76 V N 0.822 120.540 119.914 -0.327 0.000 2.323 76 V HA -0.232 3.888 4.120 -0.000 0.000 0.244 76 V C 2.004 177.785 176.094 -0.522 0.000 1.041 76 V CA 2.133 64.236 62.300 -0.329 0.000 1.025 76 V CB -0.661 31.037 31.823 -0.208 0.000 0.656 76 V HN 0.417 nan 8.190 nan 0.000 0.451 77 N N -1.073 117.091 118.700 -0.893 0.000 2.422 77 N HA -0.024 4.716 4.740 -0.000 0.000 0.181 77 N C 1.544 176.693 175.510 -0.601 0.000 1.080 77 N CA 1.003 53.475 53.050 -0.963 0.000 0.893 77 N CB 0.364 37.776 38.487 -1.792 0.000 0.973 77 N HN 0.386 nan 8.380 nan 0.000 0.456 78 S N -2.646 112.762 115.700 -0.486 0.000 2.930 78 S HA 0.112 4.582 4.470 -0.000 0.000 0.253 78 S C 1.542 175.982 174.600 -0.266 0.000 1.083 78 S CA -0.000 58.005 58.200 -0.324 0.000 0.836 78 S CB 0.097 63.133 63.200 -0.273 0.000 0.814 78 S HN 0.187 nan 8.310 nan 0.000 0.467 79 T N 3.205 117.576 114.554 -0.306 0.000 2.698 79 T HA 0.177 4.527 4.350 -0.000 0.000 0.260 79 T C 1.572 176.101 174.700 -0.286 0.000 1.044 79 T CA 0.999 62.919 62.100 -0.300 0.000 1.149 79 T CB -0.283 68.322 68.868 -0.438 0.000 0.864 79 T HN 0.176 nan 8.240 nan 0.000 0.419 80 L N -0.029 121.005 121.223 -0.315 0.000 2.477 80 L HA 0.262 4.602 4.340 -0.000 0.000 0.220 80 L C 0.383 177.142 176.870 -0.185 0.000 1.106 80 L CA 0.153 54.855 54.840 -0.230 0.000 0.851 80 L CB -0.307 41.624 42.059 -0.213 0.000 0.994 80 L HN 0.249 nan 8.230 nan 0.000 0.462 81 K N 1.622 121.883 120.400 -0.232 0.000 3.419 81 K HA -0.162 4.158 4.320 -0.000 0.000 0.272 81 K C -0.362 176.129 176.600 -0.182 0.000 0.973 81 K CA 0.269 56.425 56.287 -0.219 0.000 0.749 81 K CB -1.724 30.677 32.500 -0.166 0.000 1.403 81 K HN 0.294 nan 8.250 nan 0.000 0.456 82 L N 0.777 121.884 121.223 -0.193 0.000 2.426 82 L HA 0.181 4.521 4.340 -0.000 0.000 0.271 82 L C 1.215 177.994 176.870 -0.151 0.000 1.169 82 L CA -0.346 54.412 54.840 -0.137 0.000 0.836 82 L CB 0.539 42.525 42.059 -0.122 0.000 1.112 82 L HN 0.279 nan 8.230 nan 0.000 0.465 83 R N 2.941 123.373 120.500 -0.112 0.000 2.489 83 R HA 0.119 4.459 4.340 -0.000 0.000 0.287 83 R C -0.695 175.501 176.300 -0.174 0.000 1.053 83 R CA 0.096 56.102 56.100 -0.156 0.000 1.036 83 R CB 0.285 30.544 30.300 -0.067 0.000 0.966 83 R HN 0.895 nan 8.270 nan 0.000 0.432 84 N N 1.872 120.362 118.700 -0.350 0.000 2.927 84 N HA 0.419 5.159 4.740 -0.000 0.000 0.248 84 N C -1.752 173.489 175.510 -0.448 0.000 1.443 84 N CA -0.845 52.102 53.050 -0.170 0.000 0.870 84 N CB 1.049 39.610 38.487 0.123 0.000 1.444 84 N HN 0.277 nan 8.380 nan 0.000 0.519 85 F N -0.980 119.163 119.950 0.323 0.000 2.581 85 F HA 0.486 5.013 4.527 -0.000 0.000 0.311 85 F C 0.291 176.179 175.800 0.147 0.000 1.113 85 F CA -0.868 57.278 58.000 0.242 0.000 0.935 85 F CB 2.164 41.230 39.000 0.109 0.000 1.232 85 F HN 0.418 nan 8.300 nan 0.000 0.445 86 R N 1.539 122.072 120.500 0.055 0.000 2.489 86 R HA 0.318 4.658 4.340 -0.000 0.000 0.287 86 R C -0.463 175.804 176.300 -0.054 0.000 1.053 86 R CA 0.097 55.908 56.100 -0.482 0.000 1.036 86 R CB 0.546 30.541 30.300 -0.508 0.000 0.966 86 R HN 0.718 nan 8.270 nan 0.000 0.432 87 S N 2.891 118.620 115.700 0.049 0.000 2.523 87 S HA 0.042 4.512 4.470 -0.000 0.000 0.275 87 S C -0.496 174.025 174.600 -0.132 0.000 1.281 87 S CA -0.451 57.811 58.200 0.103 0.000 1.050 87 S CB 1.132 64.461 63.200 0.214 0.000 0.937 87 S HN 0.536 nan 8.310 nan 0.000 0.492 88 D N 1.168 121.496 120.400 -0.120 0.000 2.408 88 D HA 0.322 4.962 4.640 -0.000 0.000 0.243 88 D C -0.707 175.536 176.300 -0.095 0.000 1.075 88 D CA -0.708 53.266 54.000 -0.044 0.000 0.832 88 D CB 0.465 41.328 40.800 0.105 0.000 1.162 88 D HN 0.380 nan 8.370 nan 0.000 0.515 89 F N 1.454 121.495 119.950 0.152 0.000 2.641 89 F HA 0.178 4.705 4.527 -0.000 0.000 0.302 89 F C 1.451 177.306 175.800 0.091 0.000 1.098 89 F CA -0.457 57.609 58.000 0.111 0.000 1.318 89 F CB 0.560 39.565 39.000 0.008 0.000 1.035 89 F HN 0.253 nan 8.300 nan 0.000 0.551 90 D N -0.625 119.901 120.400 0.211 0.000 2.310 90 D HA -0.160 4.480 4.640 -0.000 0.000 0.212 90 D C 1.144 177.317 176.300 -0.213 0.000 0.965 90 D CA 1.401 55.382 54.000 -0.031 0.000 0.879 90 D CB -0.188 40.501 40.800 -0.186 0.000 0.921 90 D HN 0.328 nan 8.370 nan 0.000 0.510 91 Y N 0.059 120.413 120.300 0.090 0.000 2.485 91 Y HA 0.268 4.818 4.550 -0.000 0.000 0.260 91 Y C 1.890 177.837 175.900 0.078 0.000 1.173 91 Y CA -0.376 57.767 58.100 0.071 0.000 1.252 91 Y CB -0.113 38.389 38.460 0.069 0.000 1.123 91 Y HN -0.092 nan 8.280 nan 0.000 0.524 92 L N -0.175 121.155 121.223 0.179 0.000 2.051 92 L HA -0.352 3.988 4.340 -0.000 0.000 0.214 92 L C 2.465 179.375 176.870 0.067 0.000 1.076 92 L CA 1.617 56.522 54.840 0.108 0.000 0.758 92 L CB -0.498 41.523 42.059 -0.063 0.000 0.890 92 L HN 0.382 nan 8.230 nan 0.000 0.433 93 A N -1.035 121.801 122.820 0.026 0.000 2.131 93 A HA -0.237 4.083 4.320 -0.000 0.000 0.220 93 A C 1.951 179.565 177.584 0.049 0.000 1.158 93 A CA 1.418 53.464 52.037 0.014 0.000 0.665 93 A CB -0.335 18.654 19.000 -0.018 0.000 0.795 93 A HN 0.608 nan 8.150 nan 0.000 0.460 94 Q N -0.719 119.131 119.800 0.083 0.000 2.360 94 Q HA 0.123 4.463 4.340 -0.000 0.000 0.202 94 Q C -0.205 175.823 176.000 0.047 0.000 0.915 94 Q CA 0.034 55.882 55.803 0.074 0.000 0.943 94 Q CB 0.299 29.108 28.738 0.117 0.000 1.064 94 Q HN 0.555 nan 8.270 nan 0.000 0.511 95 N N 0.363 119.118 118.700 0.091 0.000 2.571 95 N HA 0.157 4.897 4.740 -0.000 0.000 0.298 95 N C -1.395 174.235 175.510 0.200 0.000 1.671 95 N CA 0.139 53.268 53.050 0.131 0.000 0.900 95 N CB 1.930 40.599 38.487 0.303 0.000 1.365 95 N HN -0.110 nan 8.380 nan 0.000 0.493 96 V N 1.993 121.953 119.914 0.076 0.000 2.350 96 V HA 0.357 4.477 4.120 -0.000 0.000 0.285 96 V C -0.563 175.637 176.094 0.178 0.000 1.014 96 V CA -0.645 61.784 62.300 0.214 0.000 0.831 96 V CB 0.465 32.384 31.823 0.160 0.000 1.000 96 V HN 0.143 nan 8.190 nan 0.000 0.433 97 Y N 3.132 123.584 120.300 0.254 0.000 2.299 97 Y HA 0.388 4.938 4.550 -0.000 0.000 0.326 97 Y C 0.967 176.955 175.900 0.148 0.000 1.164 97 Y CA -0.516 57.678 58.100 0.155 0.000 1.234 97 Y CB 0.827 39.361 38.460 0.124 0.000 1.219 97 Y HN 0.480 nan 8.280 nan 0.000 0.497 98 K N 1.554 121.953 120.400 -0.002 0.000 2.258 98 K HA -0.010 4.310 4.320 -0.000 0.000 0.264 98 K C 1.057 177.662 176.600 0.008 0.000 1.007 98 K CA -0.297 55.884 56.287 -0.177 0.000 0.941 98 K CB 0.741 32.960 32.500 -0.468 0.000 0.966 98 K HN 0.790 nan 8.250 nan 0.000 0.480 99 E N 1.210 121.374 120.200 -0.060 0.000 2.160 99 E HA -0.188 4.162 4.350 -0.000 0.000 0.195 99 E C -0.435 176.281 176.600 0.192 0.000 0.991 99 E CA 1.203 57.584 56.400 -0.032 0.000 0.810 99 E CB 0.329 30.001 29.700 -0.046 0.000 0.742 99 E HN 0.390 nan 8.360 nan 0.000 0.466 100 D N -0.135 120.311 120.400 0.077 0.000 2.389 100 D HA 0.265 4.905 4.640 -0.000 0.000 0.256 100 D C -0.668 175.637 176.300 0.009 0.000 1.239 100 D CA 0.410 54.448 54.000 0.064 0.000 0.925 100 D CB 0.984 41.804 40.800 0.034 0.000 1.145 100 D HN 0.310 nan 8.370 nan 0.000 0.542 101 G N 1.653 110.471 108.800 0.030 0.000 3.344 101 G HA2 0.298 4.258 3.960 -0.000 0.000 0.677 101 G HA3 0.298 4.258 3.960 -0.000 0.000 0.677 101 G C 0.489 175.363 174.900 -0.044 0.000 1.155 101 G CA 0.061 45.160 45.100 -0.002 0.000 1.137 101 G HN 1.040 nan 8.290 nan 0.000 0.571 102 G N -0.516 108.276 108.800 -0.014 0.000 2.781 102 G HA2 0.376 4.336 3.960 -0.000 0.000 0.683 102 G HA3 0.376 4.336 3.960 -0.000 0.000 0.683 102 G C 0.383 175.142 174.900 -0.236 0.000 1.390 102 G CA 0.313 45.358 45.100 -0.092 0.000 0.850 102 G HN 2.576 nan 8.290 nan 0.000 0.557 103 V N -1.389 118.317 119.914 -0.348 0.000 2.863 103 V HA 0.793 4.913 4.120 -0.000 0.000 0.307 103 V C 0.625 176.582 176.094 -0.228 0.000 1.061 103 V CA -1.338 60.718 62.300 -0.407 0.000 1.024 103 V CB 1.266 32.804 31.823 -0.475 0.000 1.049 103 V HN 0.912 nan 8.190 nan 0.000 0.471 104 Y N 0.566 120.798 120.300 -0.114 0.000 2.299 104 Y HA 0.277 4.827 4.550 -0.000 0.000 0.335 104 Y C 0.956 176.847 175.900 -0.016 0.000 1.287 104 Y CA 0.606 58.684 58.100 -0.036 0.000 1.424 104 Y CB 0.461 38.952 38.460 0.052 0.000 1.326 104 Y HN 0.949 nan 8.280 nan 0.000 0.567 105 D N 1.322 121.839 120.400 0.194 0.000 2.487 105 D HA -0.096 4.544 4.640 -0.000 0.000 0.243 105 D C 1.093 177.497 176.300 0.174 0.000 1.154 105 D CA 0.401 54.484 54.000 0.138 0.000 0.876 105 D CB 0.612 41.487 40.800 0.125 0.000 1.161 105 D HN 0.667 nan 8.370 nan 0.000 0.478 106 E N 3.042 123.302 120.200 0.100 0.000 2.077 106 E HA -0.283 4.067 4.350 -0.000 0.000 0.193 106 E C 1.241 177.881 176.600 0.066 0.000 0.989 106 E CA 1.141 57.588 56.400 0.078 0.000 0.800 106 E CB 0.056 29.786 29.700 0.049 0.000 0.746 106 E HN 0.734 nan 8.360 nan 0.000 0.452 107 D N -0.535 119.908 120.400 0.071 0.000 2.144 107 D HA -0.202 4.438 4.640 -0.000 0.000 0.199 107 D C 1.891 178.225 176.300 0.058 0.000 0.984 107 D CA 0.899 54.928 54.000 0.048 0.000 0.834 107 D CB -0.203 40.628 40.800 0.052 0.000 0.955 107 D HN 0.282 nan 8.370 nan 0.000 0.465 108 Y N 1.435 121.738 120.300 0.004 0.000 2.145 108 Y HA -0.204 4.346 4.550 -0.000 0.000 0.286 108 Y C 2.267 178.147 175.900 -0.034 0.000 1.145 108 Y CA 1.416 59.512 58.100 -0.006 0.000 1.148 108 Y CB -0.526 37.946 38.460 0.020 0.000 0.981 108 Y HN -0.168 nan 8.280 nan 0.000 0.507 109 V N 0.589 120.471 119.914 -0.053 0.000 2.407 109 V HA -0.296 3.823 4.120 -0.000 0.000 0.248 109 V C 2.336 178.312 176.094 -0.197 0.000 1.055 109 V CA 2.098 64.283 62.300 -0.191 0.000 1.049 109 V CB -0.851 30.953 31.823 -0.031 0.000 0.662 109 V HN 0.391 nan 8.190 nan 0.000 0.455 110 Q N 0.857 120.587 119.800 -0.117 0.000 2.124 110 Q HA -0.218 4.122 4.340 -0.000 0.000 0.202 110 Q C 2.199 178.120 176.000 -0.131 0.000 0.977 110 Q CA 1.994 57.736 55.803 -0.101 0.000 0.850 110 Q CB -0.405 28.293 28.738 -0.065 0.000 0.901 110 Q HN 0.628 nan 8.270 nan 0.000 0.429 111 K N -0.820 119.478 120.400 -0.171 0.000 2.097 111 K HA -0.116 4.204 4.320 -0.000 0.000 0.205 111 K C 1.820 178.294 176.600 -0.211 0.000 1.050 111 K CA 0.811 56.996 56.287 -0.171 0.000 0.938 111 K CB 0.091 32.494 32.500 -0.161 0.000 0.718 111 K HN 0.058 nan 8.250 nan 0.000 0.442 112 R N 0.817 121.119 120.500 -0.329 0.000 2.096 112 R HA -0.065 4.275 4.340 -0.000 0.000 0.235 112 R C 2.261 178.466 176.300 -0.157 0.000 1.127 112 R CA 1.096 57.026 56.100 -0.283 0.000 0.968 112 R CB -0.781 29.285 30.300 -0.390 0.000 0.861 112 R HN 0.353 nan 8.270 nan 0.000 0.440 113 I N 0.975 121.460 120.570 -0.141 0.000 2.226 113 I HA -0.236 3.934 4.170 -0.000 0.000 0.245 113 I C 2.031 178.108 176.117 -0.066 0.000 1.100 113 I CA 1.354 62.607 61.300 -0.079 0.000 1.374 113 I CB -0.272 37.686 38.000 -0.070 0.000 1.057 113 I HN 0.225 nan 8.210 nan 0.000 0.413 114 E N 0.467 120.620 120.200 -0.079 0.000 2.106 114 E HA -0.245 4.105 4.350 -0.000 0.000 0.192 114 E C 2.078 178.645 176.600 -0.056 0.000 0.984 114 E CA 0.985 57.347 56.400 -0.064 0.000 0.806 114 E CB -0.130 29.530 29.700 -0.066 0.000 0.750 114 E HN 0.270 nan 8.360 nan 0.000 0.458 115 L N 1.281 122.464 121.223 -0.066 0.000 1.994 115 L HA -0.152 4.188 4.340 -0.000 0.000 0.208 115 L C 2.244 179.097 176.870 -0.028 0.000 1.071 115 L CA 2.189 56.998 54.840 -0.052 0.000 0.745 115 L CB -0.903 41.117 42.059 -0.066 0.000 0.892 115 L HN 0.044 nan 8.230 nan 0.000 0.431 116 A N -0.701 122.107 122.820 -0.021 0.000 1.892 116 A HA -0.264 4.056 4.320 -0.000 0.000 0.218 116 A C 2.027 179.622 177.584 0.019 0.000 1.188 116 A CA 2.127 54.175 52.037 0.020 0.000 0.631 116 A CB -0.996 18.021 19.000 0.029 0.000 0.822 116 A HN 0.571 nan 8.150 nan 0.000 0.447 117 D N -0.764 119.623 120.400 -0.020 0.000 2.144 117 D HA -0.101 4.539 4.640 -0.000 0.000 0.200 117 D C 2.320 178.608 176.300 -0.019 0.000 0.978 117 D CA 1.562 55.540 54.000 -0.036 0.000 0.833 117 D CB -0.364 40.403 40.800 -0.054 0.000 0.961 117 D HN 0.466 nan 8.370 nan 0.000 0.470 118 S N -0.106 115.581 115.700 -0.022 0.000 2.383 118 S HA -0.111 4.358 4.470 -0.000 0.000 0.227 118 S C 2.119 176.714 174.600 -0.009 0.000 1.026 118 S CA 0.899 59.086 58.200 -0.021 0.000 0.981 118 S CB -0.272 62.910 63.200 -0.029 0.000 0.818 118 S HN 0.043 nan 8.310 nan 0.000 0.472 119 V N 1.821 121.737 119.914 0.003 0.000 2.343 119 V HA -0.129 3.991 4.120 -0.000 0.000 0.247 119 V C 2.639 178.756 176.094 0.038 0.000 1.051 119 V CA 2.253 64.561 62.300 0.013 0.000 1.036 119 V CB -0.770 31.068 31.823 0.025 0.000 0.654 119 V HN 0.651 nan 8.190 nan 0.000 0.451 120 E N -0.019 120.225 120.200 0.074 0.000 2.150 120 E HA -0.248 4.102 4.350 -0.000 0.000 0.193 120 E C 2.124 178.754 176.600 0.049 0.000 0.985 120 E CA 1.334 57.800 56.400 0.111 0.000 0.814 120 E CB -0.024 29.756 29.700 0.135 0.000 0.752 120 E HN 0.709 nan 8.360 nan 0.000 0.466 121 E N -0.010 120.200 120.200 0.016 0.000 2.110 121 E HA -0.172 4.178 4.350 -0.000 0.000 0.193 121 E C 2.095 178.693 176.600 -0.003 0.000 0.988 121 E CA 1.094 57.493 56.400 -0.001 0.000 0.804 121 E CB -0.039 29.652 29.700 -0.015 0.000 0.745 121 E HN 0.360 nan 8.360 nan 0.000 0.458 122 M N -0.071 119.526 119.600 -0.004 0.000 2.229 122 M HA -0.067 4.413 4.480 -0.000 0.000 0.264 122 M C 2.317 178.612 176.300 -0.008 0.000 1.063 122 M CA 1.232 56.526 55.300 -0.011 0.000 1.114 122 M CB -0.159 32.431 32.600 -0.018 0.000 1.387 122 M HN 0.203 nan 8.290 nan 0.000 0.420 123 G N -0.041 108.760 108.800 0.001 0.000 2.422 123 G HA2 -0.188 3.772 3.960 -0.000 0.000 0.218 123 G HA3 -0.188 3.772 3.960 -0.000 0.000 0.218 123 G C 1.274 176.168 174.900 -0.010 0.000 1.140 123 G CA 0.582 45.679 45.100 -0.005 0.000 0.775 123 G HN 0.488 nan 8.290 nan 0.000 0.545 124 E N 0.302 120.502 120.200 -0.001 0.000 2.106 124 E HA -0.069 4.281 4.350 -0.000 0.000 0.192 124 E C 2.469 179.058 176.600 -0.018 0.000 0.984 124 E CA 0.754 57.148 56.400 -0.009 0.000 0.806 124 E CB -0.037 29.661 29.700 -0.003 0.000 0.750 124 E HN 0.368 nan 8.360 nan 0.000 0.458 125 K N 0.516 120.906 120.400 -0.016 0.000 2.057 125 K HA -0.152 4.168 4.320 -0.000 0.000 0.207 125 K C 2.230 178.818 176.600 -0.020 0.000 1.049 125 K CA 0.780 57.056 56.287 -0.018 0.000 0.931 125 K CB -0.180 32.310 32.500 -0.016 0.000 0.714 125 K HN 0.034 nan 8.250 nan 0.000 0.440 126 L N 1.109 122.321 121.223 -0.019 0.000 2.012 126 L HA -0.190 4.150 4.340 -0.000 0.000 0.210 126 L C 2.342 179.196 176.870 -0.026 0.000 1.073 126 L CA 1.832 56.660 54.840 -0.020 0.000 0.748 126 L CB -0.943 41.104 42.059 -0.019 0.000 0.891 126 L HN 0.051 nan 8.230 nan 0.000 0.431 127 S N -0.688 114.991 115.700 -0.035 0.000 2.374 127 S HA -0.241 4.229 4.470 -0.000 0.000 0.227 127 S C 2.133 176.707 174.600 -0.044 0.000 1.037 127 S CA 1.366 59.537 58.200 -0.048 0.000 1.024 127 S CB -0.583 62.582 63.200 -0.059 0.000 0.861 127 S HN 0.697 nan 8.310 nan 0.000 0.456 128 A N 0.285 123.082 122.820 -0.038 0.000 2.070 128 A HA -0.062 4.258 4.320 -0.000 0.000 0.220 128 A C 2.250 179.816 177.584 -0.030 0.000 1.159 128 A CA 2.089 54.104 52.037 -0.036 0.000 0.656 128 A CB -1.066 17.915 19.000 -0.032 0.000 0.800 128 A HN 0.771 nan 8.150 nan 0.000 0.453 129 T N -2.410 112.129 114.554 -0.024 0.000 3.086 129 T HA 0.422 4.771 4.350 -0.000 0.000 0.250 129 T C 0.410 175.105 174.700 -0.008 0.000 1.074 129 T CA -0.344 61.745 62.100 -0.019 0.000 0.988 129 T CB -0.552 68.307 68.868 -0.015 0.000 0.988 129 T HN 0.221 nan 8.240 nan 0.000 0.530 130 L N 2.812 124.031 121.223 -0.005 0.000 2.426 130 L HA 0.293 4.633 4.340 -0.000 0.000 0.271 130 L C 1.064 177.976 176.870 0.070 0.000 1.169 130 L CA -0.923 53.930 54.840 0.021 0.000 0.836 130 L CB 0.173 42.232 42.059 -0.001 0.000 1.112 130 L HN 0.346 nan 8.230 nan 0.000 0.465 131 H N 2.422 121.480 119.070 -0.019 0.000 3.038 131 H HA -0.029 4.526 4.556 -0.000 0.000 0.338 131 H C 0.708 176.030 175.328 -0.009 0.000 1.041 131 H CA 0.302 56.343 56.048 -0.013 0.000 1.394 131 H CB 1.290 31.047 29.762 -0.009 0.000 1.357 131 H HN 0.743 nan 8.280 nan 0.000 0.600 132 A N 3.697 126.828 122.820 0.519 0.000 2.019 132 A HA -0.181 4.139 4.320 -0.000 0.000 0.219 132 A C 2.440 180.213 177.584 0.314 0.000 1.164 132 A CA 1.686 53.921 52.037 0.330 0.000 0.644 132 A CB -0.783 18.310 19.000 0.154 0.000 0.805 132 A HN 0.805 nan 8.150 nan 0.000 0.449 133 S N -1.802 114.064 115.700 0.277 0.000 2.474 133 S HA 0.252 4.722 4.470 -0.000 0.000 0.235 133 S C 1.628 176.171 174.600 -0.094 0.000 0.997 133 S CA 1.328 59.431 58.200 -0.160 0.000 0.949 133 S CB -0.518 62.224 63.200 -0.763 0.000 0.766 133 S HN 1.927 nan 8.310 nan 0.000 0.517 134 G N 2.417 111.188 108.800 -0.047 0.000 2.175 134 G HA2 -0.357 3.603 3.960 -0.000 0.000 0.244 134 G HA3 -0.357 3.603 3.960 -0.000 0.000 0.244 134 G C 0.913 175.781 174.900 -0.054 0.000 0.982 134 G CA 0.292 45.386 45.100 -0.009 0.000 0.641 134 G HN 0.740 nan 8.290 nan 0.000 0.527 135 R N 0.163 120.574 120.500 -0.148 0.000 2.241 135 R HA 0.041 4.381 4.340 -0.000 0.000 0.224 135 R C 0.814 177.087 176.300 -0.045 0.000 1.101 135 R CA 1.692 57.730 56.100 -0.104 0.000 0.995 135 R CB -0.130 30.078 30.300 -0.153 0.000 0.870 135 R HN 0.277 nan 8.270 nan 0.000 0.463 136 D N 0.620 121.008 120.400 -0.020 0.000 2.395 136 D HA 0.047 4.687 4.640 -0.000 0.000 0.213 136 D C -0.387 175.905 176.300 -0.015 0.000 1.110 136 D CA -0.093 53.904 54.000 -0.005 0.000 0.835 136 D CB 0.026 40.837 40.800 0.019 0.000 0.965 136 D HN 0.175 nan 8.370 nan 0.000 0.505 137 D N 1.339 121.726 120.400 -0.020 0.000 2.378 137 D HA 0.155 4.795 4.640 -0.000 0.000 0.238 137 D C 0.420 176.698 176.300 -0.037 0.000 1.180 137 D CA 0.394 54.372 54.000 -0.036 0.000 0.895 137 D CB 0.593 41.373 40.800 -0.034 0.000 1.192 137 D HN 0.012 nan 8.370 nan 0.000 0.438 138 M N -1.006 118.561 119.600 -0.056 0.000 2.773 138 M HA 0.376 4.856 4.480 -0.000 0.000 0.270 138 M C -0.659 175.592 176.300 -0.081 0.000 1.238 138 M CA -1.025 54.242 55.300 -0.055 0.000 0.832 138 M CB 1.393 33.964 32.600 -0.048 0.000 1.672 138 M HN 0.264 nan 8.290 nan 0.000 0.480 139 S N 0.224 115.875 115.700 -0.082 0.000 2.600 139 S HA 0.394 4.864 4.470 -0.000 0.000 0.265 139 S C 0.932 175.443 174.600 -0.149 0.000 1.325 139 S CA -0.726 57.406 58.200 -0.115 0.000 1.002 139 S CB 0.557 63.697 63.200 -0.100 0.000 0.921 139 S HN 0.741 nan 8.310 nan 0.000 0.554 140 I N 0.678 121.119 120.570 -0.215 0.000 2.361 140 I HA -0.146 4.024 4.170 -0.000 0.000 0.251 140 I C 2.326 178.299 176.117 -0.241 0.000 1.133 140 I CA 1.013 62.145 61.300 -0.281 0.000 1.413 140 I CB -0.489 37.216 38.000 -0.492 0.000 1.073 140 I HN 0.643 nan 8.210 nan 0.000 0.424 141 L N 1.410 122.513 121.223 -0.201 0.000 2.046 141 L HA -0.126 4.214 4.340 -0.000 0.000 0.208 141 L C 2.550 179.367 176.870 -0.088 0.000 1.077 141 L CA 2.101 56.859 54.840 -0.137 0.000 0.747 141 L CB -0.779 41.221 42.059 -0.098 0.000 0.896 141 L HN 0.151 nan 8.230 nan 0.000 0.432 142 A N -0.436 122.336 122.820 -0.079 0.000 1.933 142 A HA -0.228 4.092 4.320 -0.000 0.000 0.218 142 A C 2.372 179.930 177.584 -0.043 0.000 1.175 142 A CA 2.006 54.013 52.037 -0.051 0.000 0.628 142 A CB -0.752 18.220 19.000 -0.047 0.000 0.814 142 A HN 0.596 nan 8.150 nan 0.000 0.444 143 M N -0.350 119.212 119.600 -0.063 0.000 2.159 143 M HA -0.191 4.289 4.480 -0.000 0.000 0.263 143 M C 2.044 178.323 176.300 -0.036 0.000 1.063 143 M CA 1.913 57.184 55.300 -0.049 0.000 1.110 143 M CB -0.750 31.807 32.600 -0.071 0.000 1.374 143 M HN 0.579 nan 8.290 nan 0.000 0.411 144 Q N -0.412 119.356 119.800 -0.054 0.000 2.079 144 Q HA -0.149 4.191 4.340 -0.000 0.000 0.200 144 Q C 2.122 178.118 176.000 -0.006 0.000 0.974 144 Q CA 1.430 57.215 55.803 -0.031 0.000 0.840 144 Q CB -0.134 28.577 28.738 -0.045 0.000 0.898 144 Q HN 0.560 nan 8.270 nan 0.000 0.430 145 R N 0.171 120.669 120.500 -0.003 0.000 2.081 145 R HA -0.142 4.198 4.340 -0.000 0.000 0.235 145 R C 2.303 178.642 176.300 0.066 0.000 1.131 145 R CA 1.019 57.132 56.100 0.023 0.000 0.960 145 R CB -0.400 29.907 30.300 0.011 0.000 0.856 145 R HN 0.183 nan 8.270 nan 0.000 0.436 146 L N 1.596 122.852 121.223 0.056 0.000 2.056 146 L HA -0.111 4.229 4.340 -0.000 0.000 0.207 146 L C 1.398 178.351 176.870 0.137 0.000 1.078 146 L CA 1.809 56.715 54.840 0.110 0.000 0.749 146 L CB -0.505 41.586 42.059 0.052 0.000 0.901 146 L HN 0.075 nan 8.230 nan 0.000 0.433 147 N N -0.366 118.353 118.700 0.032 0.000 2.331 147 N HA -0.092 4.648 4.740 -0.000 0.000 0.180 147 N C 1.305 176.744 175.510 -0.118 0.000 1.019 147 N CA 0.877 53.903 53.050 -0.041 0.000 0.881 147 N CB -0.045 38.422 38.487 -0.034 0.000 0.972 147 N HN 0.445 nan 8.380 nan 0.000 0.435 148 E N -0.079 120.088 120.200 -0.055 0.000 2.498 148 E HA 0.064 4.414 4.350 -0.000 0.000 0.203 148 E C -0.686 175.904 176.600 -0.016 0.000 1.013 148 E CA -0.287 56.063 56.400 -0.084 0.000 0.927 148 E CB -0.046 29.642 29.700 -0.020 0.000 1.012 148 E HN 0.463 nan 8.360 nan 0.000 0.482 149 H N 0.446 119.512 119.070 -0.007 0.000 2.748 149 H HA -0.138 4.418 4.556 -0.000 0.000 0.322 149 H C -0.099 175.226 175.328 -0.004 0.000 1.208 149 H CA 0.215 56.259 56.048 -0.006 0.000 1.151 149 H CB -0.746 29.013 29.762 -0.005 0.000 1.505 149 H HN 0.074 nan 8.280 nan 0.000 0.429 150 Q N 0.086 119.950 119.800 0.108 0.000 2.544 150 Q HA 0.232 4.572 4.340 -0.000 0.000 0.291 150 Q C -1.986 174.035 176.000 0.035 0.000 1.068 150 Q CA -1.765 54.073 55.803 0.058 0.000 0.785 150 Q CB 1.864 30.628 28.738 0.042 0.000 1.481 150 Q HN 0.120 nan 8.270 nan 0.000 0.430 151 P HA 0.010 nan 4.420 nan 0.000 0.249 151 P C -0.673 176.632 177.300 0.008 0.000 1.229 151 P CA 0.574 63.680 63.100 0.010 0.000 0.788 151 P CB 0.382 32.086 31.700 0.006 0.000 1.072 152 N N -2.292 116.415 118.700 0.012 0.000 2.825 152 N HA 0.505 5.245 4.740 -0.000 0.000 0.253 152 N C -0.048 175.468 175.510 0.010 0.000 1.426 152 N CA -0.902 52.153 53.050 0.009 0.000 0.851 152 N CB 0.455 38.949 38.487 0.012 0.000 1.470 152 N HN -0.192 nan 8.380 nan 0.000 0.517 153 G N -0.974 107.830 108.800 0.006 0.000 2.574 153 G HA2 0.516 4.476 3.960 -0.000 0.000 0.248 153 G HA3 0.516 4.476 3.960 -0.000 0.000 0.248 153 G C -2.422 172.491 174.900 0.022 0.000 1.422 153 G CA -1.620 43.484 45.100 0.008 0.000 1.051 153 G HN 0.515 nan 8.290 nan 0.000 0.560 154 P HA 0.235 nan 4.420 nan 0.000 0.261 154 P C -0.011 177.314 177.300 0.042 0.000 1.173 154 P CA 0.989 64.115 63.100 0.044 0.000 0.760 154 P CB 1.261 33.004 31.700 0.071 0.000 0.783 155 A N 1.811 124.653 122.820 0.036 0.000 2.591 155 A HA 0.191 4.511 4.320 -0.000 0.000 0.204 155 A C 0.694 178.298 177.584 0.032 0.000 1.410 155 A CA 0.230 52.287 52.037 0.033 0.000 1.065 155 A CB -0.313 18.703 19.000 0.027 0.000 1.362 155 A HN 0.497 nan 8.150 nan 0.000 0.566 156 T N -2.554 112.020 114.554 0.034 0.000 2.874 156 T HA 0.457 4.807 4.350 -0.000 0.000 0.281 156 T C -1.889 172.829 174.700 0.029 0.000 0.994 156 T CA -1.396 60.725 62.100 0.036 0.000 1.015 156 T CB 1.204 70.101 68.868 0.048 0.000 1.028 156 T HN -0.132 nan 8.240 nan 0.000 0.523 157 P HA -0.097 nan 4.420 nan 0.000 0.215 157 P C 1.777 179.074 177.300 -0.005 0.000 1.153 157 P CA 0.411 63.523 63.100 0.019 0.000 0.853 157 P CB -0.105 31.618 31.700 0.038 0.000 0.788 158 V N 0.153 120.037 119.914 -0.050 0.000 2.307 158 V HA -0.210 3.910 4.120 -0.000 0.000 0.245 158 V C 1.706 177.756 176.094 -0.072 0.000 1.045 158 V CA 2.251 64.456 62.300 -0.158 0.000 1.024 158 V CB -1.060 30.499 31.823 -0.440 0.000 0.651 158 V HN -0.004 nan 8.190 nan 0.000 0.449 159 D N -0.261 120.120 120.400 -0.033 0.000 2.144 159 D HA -0.178 4.462 4.640 -0.000 0.000 0.199 159 D C 2.184 178.514 176.300 0.050 0.000 0.984 159 D CA 1.903 55.903 54.000 -0.001 0.000 0.834 159 D CB -0.273 40.533 40.800 0.010 0.000 0.955 159 D HN 0.460 nan 8.370 nan 0.000 0.465 160 M N -0.012 119.621 119.600 0.055 0.000 2.175 160 M HA -0.102 4.378 4.480 -0.000 0.000 0.264 160 M C 2.389 178.772 176.300 0.139 0.000 1.063 160 M CA 0.746 56.104 55.300 0.097 0.000 1.119 160 M CB -0.164 32.482 32.600 0.076 0.000 1.377 160 M HN -0.109 nan 8.290 nan 0.000 0.415 161 V N -0.029 119.940 119.914 0.092 0.000 2.667 161 V HA -0.134 3.986 4.120 -0.000 0.000 0.252 161 V C 2.098 178.307 176.094 0.191 0.000 1.065 161 V CA 1.169 63.542 62.300 0.122 0.000 1.083 161 V CB 0.083 31.943 31.823 0.062 0.000 0.692 161 V HN 0.244 nan 8.190 nan 0.000 0.468 162 V N 0.238 120.233 119.914 0.135 0.000 2.379 162 V HA -0.190 3.930 4.120 -0.000 0.000 0.245 162 V C 2.311 178.545 176.094 0.233 0.000 1.044 162 V CA 2.317 64.718 62.300 0.169 0.000 1.036 162 V CB -0.588 31.273 31.823 0.064 0.000 0.664 162 V HN 0.671 nan 8.190 nan 0.000 0.453 163 D N -0.922 119.606 120.400 0.214 0.000 2.117 163 D HA -0.249 4.391 4.640 -0.000 0.000 0.197 163 D C 1.994 178.487 176.300 0.320 0.000 0.987 163 D CA 1.537 55.707 54.000 0.283 0.000 0.829 163 D CB -0.207 40.744 40.800 0.251 0.000 0.961 163 D HN 0.529 nan 8.370 nan 0.000 0.460 164 Y N -0.592 119.813 120.300 0.175 0.000 2.181 164 Y HA -0.262 4.288 4.550 -0.000 0.000 0.288 164 Y C 2.140 178.122 175.900 0.136 0.000 1.146 164 Y CA 1.960 60.155 58.100 0.158 0.000 1.164 164 Y CB -0.542 37.988 38.460 0.117 0.000 0.982 164 Y HN 0.144 nan 8.280 nan 0.000 0.515 165 Y N 0.707 121.138 120.300 0.219 0.000 2.293 165 Y HA -0.127 4.423 4.550 -0.000 0.000 0.291 165 Y C 1.967 177.836 175.900 -0.053 0.000 1.137 165 Y CA 1.727 59.864 58.100 0.062 0.000 1.202 165 Y CB -0.342 38.108 38.460 -0.016 0.000 0.990 165 Y HN -0.017 nan 8.280 nan 0.000 0.537 166 K N -0.950 119.185 120.400 -0.442 0.000 2.116 166 K HA -0.016 4.304 4.320 -0.000 0.000 0.203 166 K C 1.255 177.340 176.600 -0.857 0.000 1.052 166 K CA 1.606 57.364 56.287 -0.883 0.000 0.952 166 K CB -0.111 31.860 32.500 -0.883 0.000 0.729 166 K HN 0.341 nan 8.250 nan 0.000 0.446 167 F N 0.203 120.062 119.950 -0.151 0.000 2.536 167 F HA 0.064 4.591 4.527 -0.000 0.000 0.278 167 F C 1.612 177.369 175.800 -0.071 0.000 0.945 167 F CA -0.100 57.883 58.000 -0.028 0.000 1.244 167 F CB -0.122 38.935 39.000 0.094 0.000 1.118 167 F HN -0.161 nan 8.300 nan 0.000 0.725 168 D N -0.209 120.183 120.400 -0.013 0.000 2.149 168 D HA -0.239 4.401 4.640 -0.000 0.000 0.198 168 D C 1.693 177.891 176.300 -0.170 0.000 0.990 168 D CA 1.235 55.083 54.000 -0.253 0.000 0.839 168 D CB -0.542 39.664 40.800 -0.990 0.000 0.948 168 D HN 0.242 nan 8.370 nan 0.000 0.460 169 Y N 0.861 120.951 120.300 -0.350 0.000 2.497 169 Y HA -0.073 4.477 4.550 -0.000 0.000 0.292 169 Y C 1.932 177.789 175.900 -0.072 0.000 1.137 169 Y CA 0.986 59.020 58.100 -0.109 0.000 1.285 169 Y CB 0.102 38.489 38.460 -0.120 0.000 0.991 169 Y HN -0.102 nan 8.280 nan 0.000 0.556 170 E N -1.085 118.934 120.200 -0.303 0.000 2.175 170 E HA 0.041 4.391 4.350 -0.000 0.000 0.195 170 E C 1.415 177.711 176.600 -0.507 0.000 0.934 170 E CA 1.037 57.065 56.400 -0.620 0.000 0.870 170 E CB -0.625 28.486 29.700 -0.982 0.000 0.838 170 E HN 0.346 nan 8.360 nan 0.000 0.474 171 F N 0.041 120.055 119.950 0.107 0.000 2.698 171 F HA 0.381 4.908 4.527 -0.000 0.000 0.295 171 F C 1.447 177.424 175.800 0.295 0.000 1.124 171 F CA 0.314 58.432 58.000 0.197 0.000 1.426 171 F CB 0.404 39.484 39.000 0.132 0.000 1.120 171 F HN 0.146 nan 8.300 nan 0.000 0.583 172 A N 0.143 123.176 122.820 0.356 0.000 3.021 172 A HA -0.246 4.074 4.320 -0.000 0.000 0.257 172 A C 0.266 177.902 177.584 0.087 0.000 1.277 172 A CA 1.332 53.500 52.037 0.217 0.000 1.012 172 A CB -2.135 16.914 19.000 0.082 0.000 1.147 172 A HN 0.488 nan 8.150 nan 0.000 0.861 173 E N -1.319 118.944 120.200 0.106 0.000 2.433 173 E HA 0.536 4.886 4.350 -0.000 0.000 0.278 173 E C -3.074 173.551 176.600 0.041 0.000 0.976 173 E CA -2.369 54.055 56.400 0.040 0.000 0.793 173 E CB 1.954 31.663 29.700 0.015 0.000 1.311 173 E HN 0.171 nan 8.360 nan 0.000 0.460 174 P HA 0.111 nan 4.420 nan 0.000 0.274 174 P C -2.212 175.066 177.300 -0.036 0.000 1.246 174 P CA -1.216 61.891 63.100 0.012 0.000 0.795 174 P CB 0.169 31.883 31.700 0.023 0.000 1.006 175 P HA -0.152 nan 4.420 nan 0.000 0.218 175 P C 1.232 178.425 177.300 -0.179 0.000 1.148 175 P CA 1.592 64.545 63.100 -0.245 0.000 0.822 175 P CB -0.204 31.260 31.700 -0.394 0.000 0.784 176 R N -1.037 119.398 120.500 -0.110 0.000 2.328 176 R HA 0.017 4.357 4.340 -0.000 0.000 0.207 176 R C 1.115 177.370 176.300 -0.076 0.000 1.056 176 R CA 0.989 57.038 56.100 -0.086 0.000 1.016 176 R CB -0.926 29.342 30.300 -0.052 0.000 0.872 176 R HN 0.086 nan 8.270 nan 0.000 0.471 177 V N 0.508 120.374 119.914 -0.079 0.000 3.605 177 V HA 0.072 4.191 4.120 -0.000 0.000 0.284 177 V C 0.186 176.223 176.094 -0.096 0.000 1.386 177 V CA 0.484 62.742 62.300 -0.071 0.000 1.053 177 V CB 0.996 32.785 31.823 -0.056 0.000 0.857 177 V HN 0.286 nan 8.190 nan 0.000 0.436 178 T N 0.902 115.374 114.554 -0.135 0.000 2.845 178 T HA 0.227 4.577 4.350 -0.000 0.000 0.288 178 T C 0.254 174.838 174.700 -0.194 0.000 0.980 178 T CA 0.176 62.163 62.100 -0.187 0.000 1.071 178 T CB 1.434 70.139 68.868 -0.272 0.000 0.941 178 T HN 0.262 nan 8.240 nan 0.000 0.487 179 S N 2.558 118.151 115.700 -0.178 0.000 2.498 179 S HA 0.051 4.521 4.470 -0.000 0.000 0.281 179 S C 1.281 175.715 174.600 -0.278 0.000 1.265 179 S CA -0.777 57.303 58.200 -0.200 0.000 1.071 179 S CB -0.085 62.962 63.200 -0.256 0.000 0.894 179 S HN 0.622 nan 8.310 nan 0.000 0.491 180 L N 5.721 126.815 121.223 -0.216 0.000 2.005 180 L HA -0.040 4.300 4.340 -0.000 0.000 0.207 180 L C 2.572 179.309 176.870 -0.222 0.000 1.072 180 L CA 2.213 56.932 54.840 -0.201 0.000 0.744 180 L CB -1.011 40.962 42.059 -0.142 0.000 0.895 180 L HN 0.946 nan 8.230 nan 0.000 0.433 181 Q N -0.577 119.087 119.800 -0.226 0.000 2.152 181 Q HA -0.220 4.120 4.340 -0.000 0.000 0.206 181 Q C 1.204 176.988 176.000 -0.361 0.000 0.985 181 Q CA 1.936 57.597 55.803 -0.237 0.000 0.863 181 Q CB -0.068 28.554 28.738 -0.194 0.000 0.904 181 Q HN 0.627 nan 8.270 nan 0.000 0.422 182 N N -0.812 117.538 118.700 -0.583 0.000 2.322 182 N HA -0.008 4.732 4.740 -0.000 0.000 0.194 182 N C 0.626 175.804 175.510 -0.553 0.000 1.126 182 N CA 1.141 53.668 53.050 -0.872 0.000 0.845 182 N CB 1.005 38.225 38.487 -2.112 0.000 0.976 182 N HN 0.417 nan 8.380 nan 0.000 0.475 183 T N -4.354 109.982 114.554 -0.363 0.000 3.029 183 T HA 0.202 4.552 4.350 -0.000 0.000 0.256 183 T C 0.268 174.946 174.700 -0.037 0.000 0.914 183 T CA -0.048 61.912 62.100 -0.232 0.000 0.880 183 T CB 0.423 68.959 68.868 -0.552 0.000 1.246 183 T HN -0.209 nan 8.240 nan 0.000 0.523 184 V N 4.697 124.570 119.914 -0.068 0.000 2.376 184 V HA 0.548 4.668 4.120 -0.000 0.000 0.287 184 V C -2.508 173.572 176.094 -0.023 0.000 1.015 184 V CA -2.096 60.215 62.300 0.020 0.000 0.834 184 V CB 1.989 33.830 31.823 0.030 0.000 1.001 184 V HN 0.240 nan 8.190 nan 0.000 0.428 185 P HA 0.337 nan 4.420 nan 0.000 0.277 185 P C -0.943 176.391 177.300 0.058 0.000 1.271 185 P CA -0.610 62.516 63.100 0.044 0.000 0.795 185 P CB 1.460 33.174 31.700 0.023 0.000 1.101 186 L N 0.389 121.698 121.223 0.143 0.000 2.282 186 L HA 0.480 4.820 4.340 -0.000 0.000 0.288 186 L C 1.498 178.404 176.870 0.061 0.000 1.033 186 L CA -0.439 54.494 54.840 0.155 0.000 0.807 186 L CB 0.588 42.852 42.059 0.341 0.000 1.209 186 L HN 0.528 nan 8.230 nan 0.000 0.423 187 A N 3.203 126.019 122.820 -0.007 0.000 1.917 187 A HA -0.203 4.116 4.320 -0.000 0.000 0.219 187 A C 1.945 179.497 177.584 -0.052 0.000 1.182 187 A CA 2.544 54.537 52.037 -0.073 0.000 0.633 187 A CB -0.981 17.915 19.000 -0.174 0.000 0.819 187 A HN 0.873 nan 8.150 nan 0.000 0.448 188 T N -0.577 113.968 114.554 -0.015 0.000 2.653 188 T HA -0.195 4.155 4.350 -0.000 0.000 0.268 188 T C 1.497 175.934 174.700 -0.438 0.000 1.035 188 T CA 2.054 63.998 62.100 -0.260 0.000 1.154 188 T CB -0.482 67.960 68.868 -0.711 0.000 0.862 188 T HN 0.526 nan 8.240 nan 0.000 0.441 189 F N 1.007 120.915 119.950 -0.071 0.000 2.270 189 F HA 0.044 4.571 4.527 -0.000 0.000 0.295 189 F C 2.878 178.632 175.800 -0.076 0.000 1.087 189 F CA 0.400 58.356 58.000 -0.074 0.000 1.365 189 F CB -0.407 38.544 39.000 -0.082 0.000 1.056 189 F HN 0.035 nan 8.300 nan 0.000 0.506 190 S N 0.004 115.738 115.700 0.056 0.000 2.382 190 S HA -0.167 4.302 4.470 -0.000 0.000 0.228 190 S C 1.386 175.937 174.600 -0.081 0.000 1.027 190 S CA 1.583 59.778 58.200 -0.009 0.000 0.991 190 S CB -0.297 62.878 63.200 -0.042 0.000 0.823 190 S HN 0.331 nan 8.310 nan 0.000 0.469 191 D N 0.483 120.760 120.400 -0.206 0.000 2.162 191 D HA 0.103 4.742 4.640 -0.000 0.000 0.205 191 D C 1.285 177.452 176.300 -0.222 0.000 0.964 191 D CA 0.844 54.650 54.000 -0.324 0.000 0.847 191 D CB -0.251 40.124 40.800 -0.708 0.000 0.988 191 D HN 0.459 nan 8.370 nan 0.000 0.480 192 F N 0.181 120.076 119.950 -0.093 0.000 2.749 192 F HA 0.365 4.892 4.527 -0.000 0.000 0.300 192 F C 1.247 176.991 175.800 -0.093 0.000 1.103 192 F CA 0.040 57.954 58.000 -0.144 0.000 1.342 192 F CB 0.894 39.706 39.000 -0.313 0.000 1.098 192 F HN -0.052 nan 8.300 nan 0.000 0.586 193 G N 0.651 109.527 108.800 0.127 0.000 2.539 193 G HA2 -0.167 3.793 3.960 -0.000 0.000 0.686 193 G HA3 -0.167 3.793 3.960 -0.000 0.000 0.686 193 G C -0.542 174.479 174.900 0.200 0.000 1.258 193 G CA -0.751 44.418 45.100 0.115 0.000 0.846 193 G HN 0.021 nan 8.290 nan 0.000 0.647 194 D N 0.023 120.497 120.400 0.123 0.000 2.347 194 D HA 0.047 4.687 4.640 -0.000 0.000 0.215 194 D C 0.668 176.988 176.300 0.034 0.000 0.976 194 D CA 0.746 54.782 54.000 0.060 0.000 0.884 194 D CB 0.202 40.969 40.800 -0.055 0.000 0.915 194 D HN 0.445 nan 8.370 nan 0.000 0.526 195 D N 0.335 120.783 120.400 0.081 0.000 2.354 195 D HA 0.221 4.861 4.640 -0.000 0.000 0.247 195 D C 0.443 176.822 176.300 0.132 0.000 1.138 195 D CA -0.241 53.793 54.000 0.057 0.000 0.958 195 D CB 2.291 43.121 40.800 0.050 0.000 1.144 195 D HN -0.127 nan 8.370 nan 0.000 0.458 196 V N -1.071 118.899 119.914 0.094 0.000 2.841 196 V HA 0.592 4.712 4.120 -0.000 0.000 0.310 196 V C -1.665 174.578 176.094 0.249 0.000 1.090 196 V CA -0.814 61.641 62.300 0.258 0.000 0.930 196 V CB 1.593 33.527 31.823 0.184 0.000 1.014 196 V HN 0.371 nan 8.190 nan 0.000 0.425 197 Y N 3.415 123.940 120.300 0.375 0.000 2.338 197 Y HA 0.612 5.162 4.550 -0.000 0.000 0.333 197 Y C -0.463 175.674 175.900 0.395 0.000 0.968 197 Y CA -0.886 57.428 58.100 0.357 0.000 1.123 197 Y CB 2.083 40.635 38.460 0.153 0.000 1.165 197 Y HN 0.837 nan 8.280 nan 0.000 0.452 198 F N 4.114 124.211 119.950 0.246 0.000 2.438 198 F HA 0.510 5.037 4.527 -0.000 0.000 0.356 198 F C -0.416 175.365 175.800 -0.031 0.000 1.099 198 F CA -0.595 57.272 58.000 -0.221 0.000 1.185 198 F CB 0.478 39.366 39.000 -0.188 0.000 1.115 198 F HN 0.177 nan 8.300 nan 0.000 0.526 199 V N 6.403 126.053 119.914 -0.442 0.000 2.432 199 V HA 0.518 4.638 4.120 -0.000 0.000 0.271 199 V C 0.178 176.166 176.094 -0.176 0.000 1.046 199 V CA -0.273 61.860 62.300 -0.279 0.000 0.945 199 V CB 0.772 32.264 31.823 -0.551 0.000 0.992 199 V HN 0.900 nan 8.190 nan 0.000 0.471 200 A N 4.321 127.210 122.820 0.115 0.000 3.030 200 A HA 0.551 4.871 4.320 -0.000 0.000 0.335 200 A C -0.546 177.145 177.584 0.180 0.000 1.089 200 A CA -0.446 51.732 52.037 0.234 0.000 0.807 200 A CB 0.177 19.376 19.000 0.332 0.000 1.099 200 A HN 0.730 nan 8.150 nan 0.000 0.474 201 D N 0.586 121.049 120.400 0.105 0.000 2.738 201 D HA 0.229 4.869 4.640 -0.000 0.000 0.237 201 D C 0.205 176.542 176.300 0.062 0.000 1.123 201 D CA -0.364 53.677 54.000 0.068 0.000 0.856 201 D CB 1.690 42.495 40.800 0.007 0.000 1.552 201 D HN 0.234 nan 8.370 nan 0.000 0.480 202 Q N 1.900 121.729 119.800 0.048 0.000 2.291 202 Q HA -0.033 4.307 4.340 -0.000 0.000 0.205 202 Q C 1.631 177.622 176.000 -0.016 0.000 0.970 202 Q CA 0.892 56.705 55.803 0.016 0.000 0.876 202 Q CB 0.067 28.811 28.738 0.011 0.000 0.935 202 Q HN 0.471 nan 8.270 nan 0.000 0.455 203 R N -0.042 120.448 120.500 -0.016 0.000 2.189 203 R HA 0.072 4.412 4.340 -0.000 0.000 0.223 203 R C 0.659 176.945 176.300 -0.023 0.000 1.092 203 R CA 0.721 56.797 56.100 -0.040 0.000 0.989 203 R CB -0.023 30.257 30.300 -0.034 0.000 0.876 203 R HN 0.272 nan 8.270 nan 0.000 0.457 204 G N -0.654 108.156 108.800 0.016 0.000 2.719 204 G HA2 -0.299 3.661 3.960 -0.000 0.000 0.686 204 G HA3 -0.299 3.661 3.960 -0.000 0.000 0.686 204 G C -0.116 174.877 174.900 0.156 0.000 1.201 204 G CA -0.318 44.820 45.100 0.064 0.000 0.768 204 G HN 0.320 nan 8.290 nan 0.000 0.629 205 Y N 0.592 120.910 120.300 0.029 0.000 2.315 205 Y HA -0.193 4.357 4.550 -0.000 0.000 0.288 205 Y C 2.792 178.753 175.900 0.102 0.000 1.154 205 Y CA 1.919 60.047 58.100 0.047 0.000 1.229 205 Y CB 0.199 38.685 38.460 0.043 0.000 0.980 205 Y HN 0.821 nan 8.280 nan 0.000 0.540 206 E N 0.086 120.454 120.200 0.280 0.000 2.401 206 E HA -0.200 4.150 4.350 -0.000 0.000 0.199 206 E C 1.978 178.800 176.600 0.371 0.000 1.023 206 E CA 0.725 57.295 56.400 0.283 0.000 0.859 206 E CB -0.300 29.616 29.700 0.360 0.000 0.780 206 E HN 0.473 nan 8.360 nan 0.000 0.523 207 A N 1.566 124.549 122.820 0.271 0.000 2.024 207 A HA -0.112 4.208 4.320 -0.000 0.000 0.220 207 A C 2.439 180.193 177.584 0.283 0.000 1.164 207 A CA 1.301 53.481 52.037 0.240 0.000 0.643 207 A CB -0.651 18.412 19.000 0.105 0.000 0.806 207 A HN 0.213 nan 8.150 nan 0.000 0.451 208 V N -0.417 119.641 119.914 0.240 0.000 2.343 208 V HA -0.245 3.875 4.120 -0.000 0.000 0.247 208 V C 2.568 178.817 176.094 0.257 0.000 1.051 208 V CA 2.083 64.506 62.300 0.205 0.000 1.036 208 V CB -0.700 31.219 31.823 0.161 0.000 0.654 208 V HN 0.412 nan 8.190 nan 0.000 0.451 209 V N -1.377 118.670 119.914 0.221 0.000 2.307 209 V HA -0.260 3.859 4.120 -0.000 0.000 0.245 209 V C 2.167 178.331 176.094 0.117 0.000 1.045 209 V CA 1.965 64.354 62.300 0.149 0.000 1.024 209 V CB -0.842 31.023 31.823 0.069 0.000 0.651 209 V HN 0.502 nan 8.190 nan 0.000 0.449 210 Y N -0.826 119.551 120.300 0.129 0.000 2.207 210 Y HA -0.284 4.266 4.550 -0.000 0.000 0.287 210 Y C 2.456 178.418 175.900 0.103 0.000 1.156 210 Y CA 2.318 60.474 58.100 0.093 0.000 1.182 210 Y CB -0.616 37.900 38.460 0.093 0.000 0.979 210 Y HN 0.365 nan 8.280 nan 0.000 0.521 211 Y N -0.097 120.316 120.300 0.188 0.000 2.242 211 Y HA -0.194 4.356 4.550 -0.000 0.000 0.291 211 Y C 1.883 177.837 175.900 0.090 0.000 1.137 211 Y CA 1.253 59.419 58.100 0.111 0.000 1.181 211 Y CB -0.515 37.994 38.460 0.083 0.000 0.989 211 Y HN 0.032 nan 8.280 nan 0.000 0.527 212 L N -0.050 121.232 121.223 0.098 0.000 2.017 212 L HA -0.201 4.139 4.340 -0.000 0.000 0.208 212 L C 2.870 179.744 176.870 0.006 0.000 1.073 212 L CA 1.198 56.064 54.840 0.044 0.000 0.745 212 L CB -1.099 41.101 42.059 0.237 0.000 0.894 212 L HN 0.348 nan 8.230 nan 0.000 0.432 213 A N 0.492 123.283 122.820 -0.049 0.000 1.892 213 A HA -0.200 4.120 4.320 -0.000 0.000 0.218 213 A C 2.360 179.673 177.584 -0.451 0.000 1.188 213 A CA 1.941 53.800 52.037 -0.296 0.000 0.631 213 A CB -1.426 17.422 19.000 -0.253 0.000 0.822 213 A HN 0.471 nan 8.150 nan 0.000 0.447 214 G N -1.361 107.294 108.800 -0.242 0.000 2.498 214 G HA2 -0.169 3.791 3.960 -0.000 0.000 0.219 214 G HA3 -0.169 3.791 3.960 -0.000 0.000 0.219 214 G C 1.346 176.116 174.900 -0.217 0.000 1.119 214 G CA 0.790 45.766 45.100 -0.206 0.000 0.766 214 G HN 0.537 nan 8.290 nan 0.000 0.552 215 Q N -0.632 119.039 119.800 -0.214 0.000 2.488 215 Q HA -0.016 4.324 4.340 -0.000 0.000 0.211 215 Q C 1.298 177.331 176.000 0.055 0.000 0.967 215 Q CA 0.907 56.653 55.803 -0.095 0.000 0.926 215 Q CB -0.010 28.693 28.738 -0.059 0.000 0.992 215 Q HN 0.985 nan 8.270 nan 0.000 0.506 216 Y N -4.695 115.557 120.300 -0.080 0.000 2.617 216 Y HA 0.334 4.884 4.550 -0.000 0.000 0.280 216 Y C 0.022 175.894 175.900 -0.046 0.000 1.005 216 Y CA -0.721 57.346 58.100 -0.056 0.000 1.194 216 Y CB 0.283 38.711 38.460 -0.053 0.000 1.405 216 Y HN -0.174 nan 8.280 nan 0.000 0.580 217 L N 2.871 123.735 121.223 -0.599 0.000 2.360 217 L HA 0.451 4.791 4.340 -0.000 0.000 0.271 217 L C -0.110 176.643 176.870 -0.195 0.000 1.057 217 L CA -1.145 53.457 54.840 -0.396 0.000 0.803 217 L CB 1.450 43.194 42.059 -0.526 0.000 1.207 217 L HN 0.104 nan 8.230 nan 0.000 0.445 218 K N 0.809 121.142 120.400 -0.111 0.000 2.249 218 K HA 0.488 4.808 4.320 -0.000 0.000 0.280 218 K C -0.379 176.187 176.600 -0.057 0.000 1.033 218 K CA -0.322 55.924 56.287 -0.067 0.000 0.946 218 K CB 0.752 33.230 32.500 -0.037 0.000 1.005 218 K HN 0.749 nan 8.250 nan 0.000 0.469 219 T N -1.544 112.987 114.554 -0.040 0.000 2.893 219 T HA 0.148 4.498 4.350 -0.000 0.000 0.291 219 T C -0.425 174.270 174.700 -0.008 0.000 1.028 219 T CA -1.127 60.962 62.100 -0.019 0.000 0.995 219 T CB 1.609 70.471 68.868 -0.010 0.000 1.051 219 T HN 0.489 nan 8.240 nan 0.000 0.470 220 D N 1.116 121.515 120.400 -0.000 0.000 2.493 220 D HA -0.018 4.622 4.640 -0.000 0.000 0.240 220 D C 0.202 176.503 176.300 0.002 0.000 1.142 220 D CA 0.043 54.044 54.000 0.002 0.000 0.872 220 D CB 0.966 41.769 40.800 0.006 0.000 1.173 220 D HN 0.482 nan 8.370 nan 0.000 0.467 221 D N 3.615 124.016 120.400 0.001 0.000 2.178 221 D HA -0.111 4.529 4.640 -0.000 0.000 0.202 221 D C 1.586 177.887 176.300 0.002 0.000 0.974 221 D CA 1.189 55.190 54.000 0.001 0.000 0.841 221 D CB 0.283 41.083 40.800 0.001 0.000 0.953 221 D HN 0.482 nan 8.370 nan 0.000 0.478 222 K N 0.245 120.646 120.400 0.002 0.000 1.997 222 K HA 0.023 4.343 4.320 -0.000 0.000 0.212 222 K C 2.235 178.836 176.600 0.002 0.000 1.033 222 K CA 0.630 56.918 56.287 0.002 0.000 0.950 222 K CB -0.561 31.940 32.500 0.002 0.000 0.751 222 K HN -0.142 nan 8.250 nan 0.000 0.444 223 S N -0.599 115.103 115.700 0.003 0.000 2.407 223 S HA -0.263 4.207 4.470 -0.000 0.000 0.244 223 S C 1.530 176.134 174.600 0.006 0.000 1.077 223 S CA 2.350 60.553 58.200 0.005 0.000 1.159 223 S CB -0.794 62.411 63.200 0.009 0.000 1.045 223 S HN 0.707 nan 8.310 nan 0.000 0.438 224 G N 0.108 108.914 108.800 0.010 0.000 2.176 224 G HA2 -0.249 3.711 3.960 -0.000 0.000 0.253 224 G HA3 -0.249 3.711 3.960 -0.000 0.000 0.253 224 G C 0.023 174.942 174.900 0.031 0.000 0.979 224 G CA 0.475 45.585 45.100 0.015 0.000 0.641 224 G HN 0.589 nan 8.290 nan 0.000 0.530 225 K N 0.117 120.536 120.400 0.032 0.000 2.355 225 K HA 0.432 4.752 4.320 -0.000 0.000 0.270 225 K C 0.687 177.311 176.600 0.040 0.000 1.003 225 K CA -0.276 56.043 56.287 0.053 0.000 0.957 225 K CB 0.869 33.396 32.500 0.045 0.000 0.939 225 K HN 0.280 nan 8.250 nan 0.000 0.482 226 I N 2.595 123.196 120.570 0.052 0.000 2.496 226 I HA -0.082 4.088 4.170 -0.000 0.000 0.285 226 I C 1.066 177.182 176.117 -0.002 0.000 1.080 226 I CA 0.038 61.339 61.300 0.001 0.000 1.404 226 I CB 0.849 38.833 38.000 -0.027 0.000 1.403 226 I HN 0.439 nan 8.210 nan 0.000 0.539 227 V N 0.762 120.666 119.914 -0.016 0.000 3.432 227 V HA 0.226 4.346 4.120 -0.000 0.000 0.298 227 V C 0.471 176.554 176.094 -0.019 0.000 1.464 227 V CA -0.430 61.864 62.300 -0.010 0.000 1.046 227 V CB 0.017 31.837 31.823 -0.004 0.000 0.887 227 V HN 0.676 nan 8.190 nan 0.000 0.441 228 D N 3.365 123.744 120.400 -0.035 0.000 2.450 228 D HA 0.137 4.777 4.640 -0.000 0.000 0.247 228 D C -1.286 174.997 176.300 -0.028 0.000 1.162 228 D CA -1.211 52.768 54.000 -0.036 0.000 0.879 228 D CB 2.166 42.929 40.800 -0.062 0.000 1.163 228 D HN 0.194 nan 8.370 nan 0.000 0.472 229 P HA -0.042 nan 4.420 nan 0.000 0.226 229 P C 0.998 178.289 177.300 -0.015 0.000 1.153 229 P CA 0.673 63.768 63.100 -0.008 0.000 0.777 229 P CB 0.228 31.930 31.700 0.003 0.000 0.794 230 R N -1.064 119.424 120.500 -0.019 0.000 2.285 230 R HA 0.028 4.368 4.340 -0.000 0.000 0.213 230 R C 0.536 176.808 176.300 -0.047 0.000 1.068 230 R CA 0.201 56.287 56.100 -0.023 0.000 1.004 230 R CB -0.428 29.872 30.300 0.000 0.000 0.873 230 R HN 0.184 nan 8.270 nan 0.000 0.467 231 L N 1.392 122.582 121.223 -0.054 0.000 2.287 231 L HA 0.234 4.574 4.340 -0.000 0.000 0.287 231 L C -1.162 175.666 176.870 -0.070 0.000 1.022 231 L CA -0.207 54.590 54.840 -0.071 0.000 0.814 231 L CB 1.641 43.652 42.059 -0.079 0.000 1.217 231 L HN -0.111 nan 8.230 nan 0.000 0.420 232 Q N 6.268 126.013 119.800 -0.093 0.000 2.320 232 Q HA 0.446 4.786 4.340 -0.000 0.000 0.268 232 Q C -0.894 175.049 176.000 -0.094 0.000 1.023 232 Q CA -0.407 55.347 55.803 -0.081 0.000 0.744 232 Q CB 2.293 30.974 28.738 -0.095 0.000 1.246 232 Q HN 0.704 nan 8.270 nan 0.000 0.462 233 L N 1.458 122.639 121.223 -0.069 0.000 2.479 233 L HA 0.319 4.659 4.340 -0.000 0.000 0.249 233 L C 0.922 177.746 176.870 -0.076 0.000 1.178 233 L CA -0.616 54.175 54.840 -0.083 0.000 0.811 233 L CB 0.307 42.338 42.059 -0.046 0.000 1.187 233 L HN 0.666 nan 8.230 nan 0.000 0.480 234 N N 0.042 118.683 118.700 -0.099 0.000 2.708 234 N HA -0.161 4.578 4.740 -0.000 0.000 0.249 234 N C -0.792 174.668 175.510 -0.084 0.000 1.097 234 N CA 0.911 53.911 53.050 -0.083 0.000 0.710 234 N CB -0.817 37.656 38.487 -0.024 0.000 1.032 234 N HN 0.456 nan 8.380 nan 0.000 0.551 235 K N 0.999 121.323 120.400 -0.128 0.000 2.404 235 K HA 0.374 4.694 4.320 -0.000 0.000 0.257 235 K C -0.230 176.276 176.600 -0.156 0.000 1.026 235 K CA -0.430 55.796 56.287 -0.102 0.000 0.951 235 K CB 1.723 34.154 32.500 -0.115 0.000 1.203 235 K HN -0.128 nan 8.250 nan 0.000 0.446 236 V N 4.146 123.991 119.914 -0.116 0.000 2.320 236 V HA 0.100 4.220 4.120 -0.000 0.000 0.265 236 V C 0.496 176.555 176.094 -0.058 0.000 1.048 236 V CA -0.893 61.330 62.300 -0.127 0.000 0.865 236 V CB 1.140 32.950 31.823 -0.023 0.000 1.043 236 V HN 0.349 nan 8.190 nan 0.000 0.474 237 V N 7.552 127.414 119.914 -0.087 0.000 2.540 237 V HA 0.145 4.265 4.120 -0.000 0.000 0.297 237 V C 1.301 177.362 176.094 -0.054 0.000 1.024 237 V CA 0.262 62.523 62.300 -0.066 0.000 1.105 237 V CB 0.726 32.489 31.823 -0.099 0.000 0.938 237 V HN 0.802 nan 8.190 nan 0.000 0.482 238 R N 2.822 123.294 120.500 -0.047 0.000 2.469 238 R HA 0.327 4.667 4.340 -0.000 0.000 0.250 238 R C 0.355 176.601 176.300 -0.090 0.000 0.909 238 R CA 0.028 56.100 56.100 -0.048 0.000 1.050 238 R CB 0.860 31.150 30.300 -0.016 0.000 1.256 238 R HN 0.839 nan 8.270 nan 0.000 0.550 239 E N 0.549 120.684 120.200 -0.108 0.000 2.335 239 E HA 0.382 4.732 4.350 -0.000 0.000 0.280 239 E C -1.439 175.069 176.600 -0.153 0.000 0.918 239 E CA -0.408 55.908 56.400 -0.140 0.000 0.765 239 E CB 1.860 31.518 29.700 -0.070 0.000 1.218 239 E HN -0.066 nan 8.360 nan 0.000 0.425 240 I N 3.955 124.388 120.570 -0.228 0.000 2.439 240 I HA 0.354 4.524 4.170 -0.000 0.000 0.285 240 I C -0.502 175.654 176.117 0.066 0.000 1.021 240 I CA -0.711 60.513 61.300 -0.127 0.000 1.091 240 I CB 1.750 39.566 38.000 -0.306 0.000 1.242 240 I HN 0.280 nan 8.210 nan 0.000 0.439 241 K N 6.365 126.825 120.400 0.099 0.000 2.164 241 K HA 0.618 4.938 4.320 -0.000 0.000 0.258 241 K C -1.438 175.283 176.600 0.202 0.000 0.951 241 K CA -0.648 55.697 56.287 0.097 0.000 0.844 241 K CB 2.115 34.616 32.500 0.001 0.000 1.099 241 K HN 0.477 nan 8.250 nan 0.000 0.435 242 Y N -1.693 118.628 120.300 0.035 0.000 2.562 242 Y HA 0.641 5.191 4.550 -0.000 0.000 0.345 242 Y C -0.516 175.394 175.900 0.017 0.000 1.045 242 Y CA -1.075 57.041 58.100 0.027 0.000 1.028 242 Y CB 1.578 40.071 38.460 0.056 0.000 1.297 242 Y HN 0.601 nan 8.280 nan 0.000 0.463 243 S N -0.214 115.537 115.700 0.086 0.000 2.794 243 S HA 0.593 5.063 4.470 -0.000 0.000 0.299 243 S C -2.776 171.866 174.600 0.069 0.000 1.179 243 S CA -1.583 56.624 58.200 0.012 0.000 0.838 243 S CB 1.684 64.873 63.200 -0.018 0.000 1.206 243 S HN 0.421 nan 8.310 nan 0.000 0.523 244 P HA 0.214 nan 4.420 nan 0.000 0.233 244 P C 1.073 178.382 177.300 0.015 0.000 1.167 244 P CA 0.879 64.007 63.100 0.047 0.000 0.770 244 P CB -0.258 31.464 31.700 0.036 0.000 0.837 245 G N -1.781 107.017 108.800 -0.003 0.000 2.833 245 G HA2 0.459 4.419 3.960 -0.000 0.000 0.210 245 G HA3 0.459 4.419 3.960 -0.000 0.000 0.210 245 G C 0.588 175.443 174.900 -0.075 0.000 1.139 245 G CA 0.505 45.585 45.100 -0.034 0.000 0.771 245 G HN 0.472 nan 8.290 nan 0.000 0.535 246 G N -1.256 107.508 108.800 -0.060 0.000 2.335 246 G HA2 0.545 4.505 3.960 -0.000 0.000 0.291 246 G HA3 0.545 4.505 3.960 -0.000 0.000 0.291 246 G C -1.615 173.276 174.900 -0.014 0.000 1.261 246 G CA 0.292 45.336 45.100 -0.095 0.000 0.871 246 G HN 1.124 nan 8.290 nan 0.000 0.491 247 V N -3.633 116.278 119.914 -0.004 0.000 3.159 247 V HA 0.988 5.108 4.120 -0.000 0.000 0.308 247 V C -0.662 175.458 176.094 0.042 0.000 1.190 247 V CA -0.577 61.758 62.300 0.058 0.000 1.037 247 V CB 1.518 33.389 31.823 0.078 0.000 1.060 247 V HN 1.170 nan 8.190 nan 0.000 0.437 248 T N 1.412 115.998 114.554 0.054 0.000 2.916 248 T HA 0.732 5.082 4.350 -0.000 0.000 0.298 248 T C -1.071 173.657 174.700 0.047 0.000 1.031 248 T CA -0.414 61.712 62.100 0.043 0.000 0.993 248 T CB 1.715 70.594 68.868 0.019 0.000 1.045 248 T HN 0.888 nan 8.240 nan 0.000 0.454 249 V N 3.810 123.767 119.914 0.072 0.000 2.588 249 V HA 0.527 4.647 4.120 -0.000 0.000 0.304 249 V C -0.474 175.689 176.094 0.115 0.000 1.042 249 V CA -0.992 61.348 62.300 0.066 0.000 0.877 249 V CB 1.972 33.833 31.823 0.064 0.000 0.996 249 V HN 0.726 nan 8.190 nan 0.000 0.425 250 K N 2.556 122.986 120.400 0.050 0.000 2.221 250 K HA 0.686 5.006 4.320 -0.000 0.000 0.258 250 K C -0.134 176.496 176.600 0.050 0.000 0.944 250 K CA -0.601 55.714 56.287 0.046 0.000 0.823 250 K CB 2.197 34.695 32.500 -0.003 0.000 1.113 250 K HN 0.839 nan 8.250 nan 0.000 0.431 251 T N -1.860 112.745 114.554 0.086 0.000 2.943 251 T HA 0.166 4.516 4.350 -0.000 0.000 0.284 251 T C 1.073 175.793 174.700 0.034 0.000 1.015 251 T CA -0.836 61.306 62.100 0.069 0.000 1.042 251 T CB 1.732 70.677 68.868 0.128 0.000 1.055 251 T HN 0.684 nan 8.240 nan 0.000 0.500 252 E N 0.296 120.512 120.200 0.026 0.000 2.265 252 E HA -0.180 4.170 4.350 -0.000 0.000 0.196 252 E C 0.910 177.523 176.600 0.021 0.000 0.996 252 E CA 1.350 57.764 56.400 0.024 0.000 0.832 252 E CB -0.055 29.669 29.700 0.038 0.000 0.756 252 E HN 0.816 nan 8.360 nan 0.000 0.491 253 D N -0.912 119.503 120.400 0.025 0.000 2.319 253 D HA -0.059 4.581 4.640 -0.000 0.000 0.230 253 D C 0.081 176.384 176.300 0.004 0.000 1.094 253 D CA 0.085 54.096 54.000 0.017 0.000 0.856 253 D CB -0.002 40.812 40.800 0.023 0.000 0.915 253 D HN 0.095 nan 8.370 nan 0.000 0.517 254 N N -1.294 117.405 118.700 -0.001 0.000 2.994 254 N HA -0.155 4.585 4.740 -0.000 0.000 0.221 254 N C -0.533 174.941 175.510 -0.061 0.000 0.900 254 N CA 0.776 53.811 53.050 -0.025 0.000 1.008 254 N CB -1.709 36.762 38.487 -0.026 0.000 1.053 254 N HN 0.181 nan 8.380 nan 0.000 0.580 255 S N 0.466 116.130 115.700 -0.060 0.000 2.589 255 S HA 0.465 4.935 4.470 -0.000 0.000 0.265 255 S C 0.558 174.991 174.600 -0.280 0.000 1.342 255 S CA -0.155 57.918 58.200 -0.212 0.000 1.005 255 S CB 1.949 65.024 63.200 -0.209 0.000 0.909 255 S HN 0.137 nan 8.310 nan 0.000 0.555 256 V N 2.138 121.739 119.914 -0.521 0.000 2.686 256 V HA 0.481 4.601 4.120 -0.000 0.000 0.306 256 V C -1.562 174.197 176.094 -0.557 0.000 1.065 256 V CA -0.671 61.423 62.300 -0.342 0.000 0.894 256 V CB 1.221 32.931 31.823 -0.187 0.000 1.004 256 V HN 0.831 nan 8.190 nan 0.000 0.424 257 Y N 1.469 121.753 120.300 -0.027 0.000 2.570 257 Y HA 0.784 5.334 4.550 -0.000 0.000 0.345 257 Y C 0.425 176.312 175.900 -0.022 0.000 1.014 257 Y CA -0.800 57.286 58.100 -0.024 0.000 1.063 257 Y CB 2.449 40.893 38.460 -0.026 0.000 1.272 257 Y HN 0.674 nan 8.280 nan 0.000 0.477 258 S N 0.634 116.416 115.700 0.137 0.000 2.570 258 S HA 1.010 5.480 4.470 -0.000 0.000 0.286 258 S C -0.932 173.703 174.600 0.057 0.000 1.099 258 S CA -0.358 57.882 58.200 0.067 0.000 0.913 258 S CB 2.259 65.475 63.200 0.026 0.000 1.085 258 S HN 1.266 nan 8.310 nan 0.000 0.480 259 A N 0.815 123.650 122.820 0.025 0.000 2.536 259 A HA 0.668 4.988 4.320 -0.000 0.000 0.293 259 A C -0.547 177.006 177.584 -0.052 0.000 1.119 259 A CA -0.609 51.432 52.037 0.007 0.000 0.654 259 A CB 0.106 19.123 19.000 0.027 0.000 1.291 259 A HN 0.673 nan 8.150 nan 0.000 0.439 260 D N -0.986 119.359 120.400 -0.092 0.000 2.249 260 D HA 0.178 4.818 4.640 -0.000 0.000 0.205 260 D C -0.479 175.417 176.300 -0.674 0.000 0.962 260 D CA 1.988 55.782 54.000 -0.342 0.000 0.860 260 D CB 0.077 40.694 40.800 -0.305 0.000 0.955 260 D HN 0.442 nan 8.370 nan 0.000 0.505 261 Y N -1.362 118.945 120.300 0.012 0.000 2.625 261 Y HA 0.445 4.994 4.550 -0.000 0.000 0.338 261 Y C -0.570 175.328 175.900 -0.004 0.000 1.123 261 Y CA -1.133 56.981 58.100 0.022 0.000 1.046 261 Y CB 2.248 40.681 38.460 -0.044 0.000 1.299 261 Y HN -0.378 nan 8.280 nan 0.000 0.464 262 V N 2.908 122.938 119.914 0.194 0.000 2.789 262 V HA 0.707 4.827 4.120 -0.000 0.000 0.311 262 V C -1.542 174.566 176.094 0.024 0.000 1.073 262 V CA -0.788 61.548 62.300 0.061 0.000 0.921 262 V CB 1.937 33.767 31.823 0.010 0.000 1.009 262 V HN 0.758 nan 8.190 nan 0.000 0.426 263 M N 7.177 126.753 119.600 -0.040 0.000 2.078 263 M HA 0.593 5.073 4.480 -0.000 0.000 0.320 263 M C -1.562 174.680 176.300 -0.097 0.000 0.969 263 M CA -0.144 55.112 55.300 -0.073 0.000 0.929 263 M CB 1.316 33.869 32.600 -0.078 0.000 1.504 263 M HN 0.363 nan 8.290 nan 0.000 0.419 264 V N 4.711 124.524 119.914 -0.167 0.000 2.364 264 V HA 0.375 4.495 4.120 -0.000 0.000 0.272 264 V C 0.654 176.776 176.094 0.047 0.000 1.036 264 V CA 0.137 62.394 62.300 -0.072 0.000 0.880 264 V CB 0.755 32.515 31.823 -0.105 0.000 0.991 264 V HN 1.000 nan 8.190 nan 0.000 0.460 265 S N 3.365 119.097 115.700 0.054 0.000 2.578 265 S HA 0.378 4.848 4.470 -0.000 0.000 0.231 265 S C 0.815 175.504 174.600 0.149 0.000 0.994 265 S CA 0.234 58.489 58.200 0.093 0.000 0.956 265 S CB 0.350 63.576 63.200 0.042 0.000 0.870 265 S HN 0.896 nan 8.310 nan 0.000 0.494 266 A N 2.556 125.455 122.820 0.133 0.000 2.466 266 A HA 0.543 4.863 4.320 -0.000 0.000 0.238 266 A C 0.878 178.557 177.584 0.159 0.000 1.074 266 A CA 0.156 52.254 52.037 0.102 0.000 0.774 266 A CB -0.168 18.871 19.000 0.064 0.000 1.015 266 A HN 0.984 nan 8.150 nan 0.000 0.498 267 S N 1.002 116.757 115.700 0.091 0.000 2.580 267 S HA 0.117 4.586 4.470 -0.000 0.000 0.266 267 S C 1.082 175.524 174.600 -0.263 0.000 1.354 267 S CA 0.230 58.440 58.200 0.015 0.000 1.008 267 S CB 0.276 63.532 63.200 0.094 0.000 0.898 267 S HN 1.383 nan 8.310 nan 0.000 0.555 268 L N 2.593 123.435 121.223 -0.635 0.000 2.079 268 L HA 0.129 4.469 4.340 -0.000 0.000 0.210 268 L C 2.360 179.091 176.870 -0.231 0.000 1.081 268 L CA 2.490 56.967 54.840 -0.605 0.000 0.752 268 L CB -1.466 40.307 42.059 -0.477 0.000 0.896 268 L HN 0.965 nan 8.230 nan 0.000 0.433 269 G N -1.177 107.569 108.800 -0.091 0.000 2.432 269 G HA2 -0.186 3.774 3.960 -0.000 0.000 0.219 269 G HA3 -0.186 3.774 3.960 -0.000 0.000 0.219 269 G C 1.519 176.420 174.900 0.001 0.000 1.135 269 G CA 0.976 46.079 45.100 0.005 0.000 0.767 269 G HN 0.343 nan 8.290 nan 0.000 0.550 270 V N 0.921 120.830 119.914 -0.008 0.000 2.358 270 V HA -0.102 4.018 4.120 -0.000 0.000 0.246 270 V C 2.886 178.987 176.094 0.010 0.000 1.047 270 V CA 1.338 63.646 62.300 0.012 0.000 1.035 270 V CB -0.356 31.479 31.823 0.020 0.000 0.658 270 V HN 0.356 nan 8.190 nan 0.000 0.452 271 L N -0.559 120.641 121.223 -0.038 0.000 2.131 271 L HA -0.217 4.123 4.340 -0.000 0.000 0.210 271 L C 2.458 179.237 176.870 -0.152 0.000 1.092 271 L CA 1.456 56.267 54.840 -0.047 0.000 0.759 271 L CB -0.528 41.450 42.059 -0.134 0.000 0.903 271 L HN 0.404 nan 8.230 nan 0.000 0.435 272 Q N -0.724 118.949 119.800 -0.211 0.000 2.472 272 Q HA -0.070 4.270 4.340 -0.000 0.000 0.208 272 Q C 1.985 178.057 176.000 0.119 0.000 0.958 272 Q CA 1.109 56.735 55.803 -0.295 0.000 0.932 272 Q CB 0.188 28.819 28.738 -0.178 0.000 1.007 272 Q HN 0.527 nan 8.270 nan 0.000 0.508 273 S N -1.218 114.533 115.700 0.085 0.000 2.540 273 S HA 0.056 4.526 4.470 -0.000 0.000 0.218 273 S C 0.195 174.864 174.600 0.116 0.000 0.977 273 S CA 0.074 58.344 58.200 0.116 0.000 0.918 273 S CB 0.500 63.733 63.200 0.055 0.000 0.806 273 S HN 0.195 nan 8.310 nan 0.000 0.496 274 D N -0.327 120.155 120.400 0.136 0.000 3.028 274 D HA -0.134 4.506 4.640 -0.000 0.000 0.207 274 D C 0.512 176.854 176.300 0.069 0.000 1.100 274 D CA 0.881 54.950 54.000 0.115 0.000 0.995 274 D CB -1.693 39.165 40.800 0.097 0.000 1.108 274 D HN 0.492 nan 8.370 nan 0.000 0.421 275 L N 0.232 121.490 121.223 0.057 0.000 2.093 275 L HA 0.130 4.469 4.340 -0.000 0.000 0.208 275 L C 0.790 177.670 176.870 0.017 0.000 1.085 275 L CA 1.515 56.377 54.840 0.036 0.000 0.755 275 L CB 0.100 42.188 42.059 0.047 0.000 0.904 275 L HN 0.166 nan 8.230 nan 0.000 0.435 276 I N 0.790 121.368 120.570 0.012 0.000 2.330 276 I HA 0.212 4.382 4.170 -0.000 0.000 0.289 276 I C -0.136 175.908 176.117 -0.121 0.000 1.001 276 I CA -0.288 60.951 61.300 -0.101 0.000 1.193 276 I CB 1.264 39.160 38.000 -0.173 0.000 1.345 276 I HN 0.174 nan 8.210 nan 0.000 0.461 277 Q N 6.367 126.083 119.800 -0.139 0.000 2.274 277 Q HA 0.391 4.731 4.340 -0.000 0.000 0.256 277 Q C -1.553 174.338 176.000 -0.181 0.000 0.927 277 Q CA -0.443 55.328 55.803 -0.054 0.000 0.939 277 Q CB 0.955 29.687 28.738 -0.010 0.000 1.201 277 Q HN 0.442 nan 8.270 nan 0.000 0.426 278 F N 2.980 122.990 119.950 0.099 0.000 2.404 278 F HA 0.442 4.969 4.527 -0.000 0.000 0.339 278 F C 0.011 175.898 175.800 0.145 0.000 1.105 278 F CA -0.427 57.682 58.000 0.181 0.000 1.087 278 F CB 1.450 40.587 39.000 0.228 0.000 1.143 278 F HN 0.358 nan 8.300 nan 0.000 0.491 279 K N 4.922 125.471 120.400 0.248 0.000 2.578 279 K HA 0.342 4.662 4.320 -0.000 0.000 0.250 279 K C -2.776 173.632 176.600 -0.320 0.000 0.955 279 K CA -1.880 54.414 56.287 0.012 0.000 0.825 279 K CB 2.300 34.785 32.500 -0.025 0.000 1.151 279 K HN 0.233 nan 8.250 nan 0.000 0.432 280 P HA 0.077 nan 4.420 nan 0.000 0.275 280 P C -0.707 176.655 177.300 0.103 0.000 1.266 280 P CA -0.447 62.569 63.100 -0.141 0.000 0.793 280 P CB 0.775 32.374 31.700 -0.169 0.000 1.074 281 K N 0.166 120.630 120.400 0.105 0.000 2.440 281 K HA 0.119 4.439 4.320 -0.000 0.000 0.270 281 K C 0.455 177.129 176.600 0.124 0.000 0.980 281 K CA -0.174 56.201 56.287 0.147 0.000 0.953 281 K CB -0.188 32.354 32.500 0.071 0.000 0.925 281 K HN 0.365 nan 8.250 nan 0.000 0.497 282 L N 3.278 124.517 121.223 0.026 0.000 2.467 282 L HA 0.098 4.438 4.340 -0.000 0.000 0.270 282 L C -1.860 174.876 176.870 -0.224 0.000 1.205 282 L CA -1.811 52.926 54.840 -0.172 0.000 0.828 282 L CB -0.123 41.677 42.059 -0.432 0.000 1.101 282 L HN 0.403 nan 8.230 nan 0.000 0.479 283 P HA 0.024 nan 4.420 nan 0.000 0.270 283 P C 0.605 177.659 177.300 -0.409 0.000 1.223 283 P CA -0.096 62.788 63.100 -0.360 0.000 0.785 283 P CB 0.504 31.879 31.700 -0.542 0.000 0.923 284 T N 0.450 114.908 114.554 -0.159 0.000 2.720 284 T HA -0.154 4.196 4.350 -0.000 0.000 0.268 284 T C 1.437 176.114 174.700 -0.037 0.000 1.037 284 T CA 1.478 63.541 62.100 -0.062 0.000 1.144 284 T CB -0.569 68.322 68.868 0.038 0.000 0.864 284 T HN 0.625 nan 8.240 nan 0.000 0.444 285 W N 2.263 123.550 121.300 -0.021 0.000 2.363 285 W HA -0.036 4.624 4.660 -0.000 0.000 0.296 285 W C 1.956 178.423 176.519 -0.088 0.000 1.212 285 W CA 1.129 58.452 57.345 -0.037 0.000 1.260 285 W CB -0.818 28.621 29.460 -0.035 0.000 1.131 285 W HN 0.168 nan 8.180 nan 0.000 0.530 286 K N 1.798 121.677 120.400 -0.869 0.000 2.025 286 K HA -0.110 4.210 4.320 -0.000 0.000 0.207 286 K C 1.954 178.285 176.600 -0.448 0.000 1.049 286 K CA 2.339 58.063 56.287 -0.937 0.000 0.933 286 K CB -0.867 30.733 32.500 -1.499 0.000 0.714 286 K HN 0.021 nan 8.250 nan 0.000 0.438 287 V N 1.630 121.333 119.914 -0.351 0.000 2.392 287 V HA -0.233 3.887 4.120 -0.000 0.000 0.249 287 V C 2.429 178.545 176.094 0.038 0.000 1.059 287 V CA 2.131 64.360 62.300 -0.118 0.000 1.051 287 V CB -0.506 31.299 31.823 -0.030 0.000 0.658 287 V HN 0.332 nan 8.190 nan 0.000 0.455 288 R N -0.003 120.514 120.500 0.029 0.000 2.092 288 R HA -0.065 4.275 4.340 -0.000 0.000 0.231 288 R C 2.448 178.789 176.300 0.068 0.000 1.119 288 R CA 1.366 57.522 56.100 0.093 0.000 0.970 288 R CB -0.563 29.795 30.300 0.096 0.000 0.864 288 R HN 0.532 nan 8.270 nan 0.000 0.440 289 A N 1.365 124.192 122.820 0.012 0.000 1.933 289 A HA -0.134 4.186 4.320 -0.000 0.000 0.218 289 A C 2.143 179.673 177.584 -0.090 0.000 1.175 289 A CA 1.118 53.137 52.037 -0.029 0.000 0.628 289 A CB -0.439 18.519 19.000 -0.069 0.000 0.814 289 A HN 0.166 nan 8.150 nan 0.000 0.444 290 I N -1.983 118.476 120.570 -0.184 0.000 2.142 290 I HA -0.293 3.877 4.170 -0.000 0.000 0.240 290 I C 2.268 178.214 176.117 -0.285 0.000 1.078 290 I CA 1.594 62.711 61.300 -0.306 0.000 1.343 290 I CB -0.364 37.348 38.000 -0.480 0.000 1.046 290 I HN 0.428 nan 8.210 nan 0.000 0.405 291 Y N 0.431 120.712 120.300 -0.031 0.000 2.439 291 Y HA -0.165 4.385 4.550 -0.000 0.000 0.292 291 Y C 2.609 178.523 175.900 0.024 0.000 1.130 291 Y CA 0.823 58.923 58.100 0.001 0.000 1.254 291 Y CB -0.223 38.233 38.460 -0.005 0.000 1.000 291 Y HN 0.221 nan 8.280 nan 0.000 0.554 292 Q N -0.911 118.975 119.800 0.143 0.000 2.123 292 Q HA -0.097 4.243 4.340 -0.000 0.000 0.199 292 Q C 0.285 176.348 176.000 0.104 0.000 0.966 292 Q CA 0.479 56.352 55.803 0.116 0.000 0.845 292 Q CB -0.009 28.794 28.738 0.109 0.000 0.907 292 Q HN 0.277 nan 8.270 nan 0.000 0.439 293 F N 1.370 121.279 119.950 -0.069 0.000 2.406 293 F HA 0.036 4.563 4.527 -0.000 0.000 0.327 293 F C 0.113 175.883 175.800 -0.050 0.000 1.153 293 F CA -0.280 57.665 58.000 -0.092 0.000 1.218 293 F CB 0.737 39.669 39.000 -0.112 0.000 1.215 293 F HN -0.112 nan 8.300 nan 0.000 0.570 294 D N 2.924 123.148 120.400 -0.293 0.000 2.163 294 D HA 0.274 4.914 4.640 -0.000 0.000 0.248 294 D C -0.801 175.487 176.300 -0.020 0.000 1.035 294 D CA -0.260 53.662 54.000 -0.130 0.000 0.872 294 D CB 1.685 42.366 40.800 -0.199 0.000 1.183 294 D HN 0.328 nan 8.370 nan 0.000 0.445 295 M N 2.548 122.154 119.600 0.009 0.000 2.047 295 M HA 0.536 5.016 4.480 -0.000 0.000 0.342 295 M C -0.893 175.387 176.300 -0.033 0.000 1.058 295 M CA -0.446 54.867 55.300 0.022 0.000 0.991 295 M CB 0.819 33.444 32.600 0.043 0.000 1.474 295 M HN 0.350 nan 8.290 nan 0.000 0.419 296 A N 4.229 126.984 122.820 -0.108 0.000 2.271 296 A HA 0.810 5.130 4.320 -0.000 0.000 0.288 296 A C -0.934 176.466 177.584 -0.306 0.000 1.094 296 A CA -0.660 51.255 52.037 -0.203 0.000 0.828 296 A CB 0.743 19.615 19.000 -0.214 0.000 1.091 296 A HN 0.718 nan 8.150 nan 0.000 0.493 297 V N 0.294 120.066 119.914 -0.237 0.000 2.588 297 V HA 0.447 4.566 4.120 -0.000 0.000 0.304 297 V C -1.199 174.859 176.094 -0.060 0.000 1.042 297 V CA -0.351 61.861 62.300 -0.145 0.000 0.877 297 V CB 1.280 33.075 31.823 -0.046 0.000 0.996 297 V HN 0.794 nan 8.190 nan 0.000 0.425 298 Y N 2.345 122.536 120.300 -0.182 0.000 2.327 298 Y HA 0.608 5.158 4.550 -0.000 0.000 0.325 298 Y C -0.082 175.886 175.900 0.114 0.000 0.999 298 Y CA -0.191 57.899 58.100 -0.018 0.000 1.195 298 Y CB 1.897 40.351 38.460 -0.010 0.000 1.132 298 Y HN 0.680 nan 8.280 nan 0.000 0.455 299 T N 6.657 121.253 114.554 0.070 0.000 2.758 299 T HA 0.329 4.679 4.350 -0.000 0.000 0.285 299 T C -0.675 174.046 174.700 0.036 0.000 0.981 299 T CA -0.844 61.347 62.100 0.152 0.000 0.965 299 T CB 0.592 69.521 68.868 0.101 0.000 0.927 299 T HN 0.475 nan 8.240 nan 0.000 0.448 300 K N 3.665 124.167 120.400 0.170 0.000 2.257 300 K HA 0.378 4.698 4.320 -0.000 0.000 0.270 300 K C -0.346 176.185 176.600 -0.116 0.000 1.098 300 K CA -0.243 56.053 56.287 0.014 0.000 0.943 300 K CB 0.462 33.100 32.500 0.230 0.000 1.316 300 K HN 0.566 nan 8.250 nan 0.000 0.447 301 I N 4.419 124.858 120.570 -0.218 0.000 2.301 301 I HA 0.176 4.346 4.170 -0.000 0.000 0.292 301 I C -0.246 175.695 176.117 -0.293 0.000 1.046 301 I CA -0.534 60.673 61.300 -0.155 0.000 1.282 301 I CB 0.136 38.085 38.000 -0.086 0.000 1.409 301 I HN 0.294 nan 8.210 nan 0.000 0.484 302 F N 6.730 126.551 119.950 -0.215 0.000 2.379 302 F HA 0.589 5.116 4.527 -0.000 0.000 0.332 302 F C 0.080 175.727 175.800 -0.255 0.000 1.096 302 F CA -0.404 57.404 58.000 -0.320 0.000 1.105 302 F CB 1.087 39.568 39.000 -0.864 0.000 1.189 302 F HN 0.197 nan 8.300 nan 0.000 0.515 303 L N 2.547 123.914 121.223 0.239 0.000 2.422 303 L HA 0.488 4.828 4.340 -0.000 0.000 0.264 303 L C -0.715 176.339 176.870 0.307 0.000 0.984 303 L CA -0.820 54.160 54.840 0.235 0.000 0.819 303 L CB 2.319 44.423 42.059 0.075 0.000 1.330 303 L HN 0.484 nan 8.230 nan 0.000 0.410 304 K N 2.020 122.473 120.400 0.087 0.000 2.270 304 K HA 0.716 5.036 4.320 -0.000 0.000 0.255 304 K C -1.738 174.691 176.600 -0.285 0.000 0.936 304 K CA -0.390 55.893 56.287 -0.007 0.000 0.809 304 K CB 1.242 33.645 32.500 -0.160 0.000 1.131 304 K HN 0.357 nan 8.250 nan 0.000 0.427 305 F N 3.592 123.707 119.950 0.275 0.000 2.577 305 F HA 0.377 4.904 4.527 -0.000 0.000 0.318 305 F C -1.438 174.470 175.800 0.180 0.000 1.065 305 F CA -2.113 56.052 58.000 0.276 0.000 0.929 305 F CB 1.861 41.140 39.000 0.465 0.000 1.237 305 F HN 0.488 nan 8.300 nan 0.000 0.468 306 P HA -0.064 nan 4.420 nan 0.000 0.223 306 P C -0.603 176.783 177.300 0.144 0.000 1.151 306 P CA 1.173 64.379 63.100 0.177 0.000 0.787 306 P CB 0.236 32.015 31.700 0.133 0.000 0.788 307 R N -1.411 119.197 120.500 0.178 0.000 2.712 307 R HA 0.435 4.775 4.340 -0.000 0.000 0.272 307 R C -1.004 175.228 176.300 -0.113 0.000 1.032 307 R CA -1.188 54.927 56.100 0.025 0.000 0.874 307 R CB 0.878 31.173 30.300 -0.009 0.000 1.256 307 R HN -0.194 nan 8.270 nan 0.000 0.468 308 K N 0.528 120.648 120.400 -0.467 0.000 2.185 308 K HA 0.337 4.657 4.320 -0.000 0.000 0.271 308 K C -0.484 175.533 176.600 -0.972 0.000 1.013 308 K CA -0.525 54.976 56.287 -1.310 0.000 0.943 308 K CB 0.491 32.115 32.500 -1.460 0.000 0.998 308 K HN 0.681 nan 8.250 nan 0.000 0.468 309 F N -1.783 117.483 119.950 -1.140 0.000 2.960 309 F HA 0.374 4.901 4.527 -0.000 0.000 0.345 309 F C -0.880 174.403 175.800 -0.862 0.000 1.147 309 F CA -1.357 56.206 58.000 -0.728 0.000 1.099 309 F CB -0.296 38.392 39.000 -0.520 0.000 1.219 309 F HN 0.604 nan 8.300 nan 0.000 0.525 310 W N 0.970 121.580 121.300 -1.150 0.000 2.671 310 W HA 0.907 5.567 4.660 -0.000 0.000 0.360 310 W C -2.913 173.243 176.519 -0.605 0.000 1.128 310 W CA -2.909 53.760 57.345 -1.128 0.000 1.184 310 W CB -0.644 28.092 29.460 -1.206 0.000 1.415 310 W HN -0.336 nan 8.180 nan 0.000 0.604 311 P HA 0.158 nan 4.420 nan 0.000 0.269 311 P C -0.965 176.290 177.300 -0.075 0.000 1.215 311 P CA 0.011 63.034 63.100 -0.128 0.000 0.780 311 P CB 0.757 32.430 31.700 -0.046 0.000 0.898 312 E N 0.386 120.514 120.200 -0.120 0.000 2.340 312 E HA 0.664 5.013 4.350 -0.000 0.000 0.273 312 E C -0.388 176.152 176.600 -0.100 0.000 0.891 312 E CA -0.790 55.556 56.400 -0.091 0.000 0.757 312 E CB 2.197 31.823 29.700 -0.123 0.000 1.231 312 E HN 0.677 nan 8.360 nan 0.000 0.439 313 G N 1.749 110.486 108.800 -0.106 0.000 2.346 313 G HA2 -0.082 3.878 3.960 -0.000 0.000 0.294 313 G HA3 -0.082 3.878 3.960 -0.000 0.000 0.294 313 G C -1.243 173.561 174.900 -0.161 0.000 1.294 313 G CA -1.079 43.951 45.100 -0.117 0.000 0.962 313 G HN 0.401 nan 8.290 nan 0.000 0.508 314 K N 0.428 120.713 120.400 -0.192 0.000 2.484 314 K HA 0.395 4.715 4.320 -0.000 0.000 0.280 314 K C 1.515 177.835 176.600 -0.467 0.000 1.013 314 K CA 1.583 57.672 56.287 -0.329 0.000 1.029 314 K CB 0.037 32.343 32.500 -0.323 0.000 0.902 314 K HN 2.269 nan 8.250 nan 0.000 0.481 315 G N 3.697 112.115 108.800 -0.636 0.000 2.196 315 G HA2 -0.290 3.670 3.960 -0.000 0.000 0.268 315 G HA3 -0.290 3.670 3.960 -0.000 0.000 0.268 315 G C 0.733 175.583 174.900 -0.084 0.000 0.975 315 G CA 0.288 45.088 45.100 -0.500 0.000 0.648 315 G HN 0.667 nan 8.290 nan 0.000 0.538 316 R N 0.324 120.758 120.500 -0.111 0.000 2.297 316 R HA 0.168 4.508 4.340 -0.000 0.000 0.197 316 R C 1.952 178.235 176.300 -0.029 0.000 0.943 316 R CA 0.846 56.924 56.100 -0.036 0.000 1.038 316 R CB -0.274 29.983 30.300 -0.072 0.000 0.957 316 R HN 0.760 nan 8.270 nan 0.000 0.484 317 E N 0.185 120.293 120.200 -0.154 0.000 2.058 317 E HA -0.121 4.229 4.350 -0.000 0.000 0.194 317 E C -0.546 175.780 176.600 -0.456 0.000 0.997 317 E CA 0.994 57.138 56.400 -0.426 0.000 0.801 317 E CB 0.133 29.400 29.700 -0.721 0.000 0.746 317 E HN 0.097 nan 8.360 nan 0.000 0.450 318 F N 0.202 120.258 119.950 0.177 0.000 2.458 318 F HA 0.392 4.919 4.527 -0.000 0.000 0.336 318 F C -0.389 175.664 175.800 0.421 0.000 1.114 318 F CA -1.179 56.974 58.000 0.255 0.000 0.987 318 F CB 1.353 40.510 39.000 0.260 0.000 1.130 318 F HN -0.080 nan 8.300 nan 0.000 0.458 319 F N 1.042 121.194 119.950 0.337 0.000 2.631 319 F HA 0.830 5.357 4.527 -0.000 0.000 0.308 319 F C -2.042 173.975 175.800 0.361 0.000 1.097 319 F CA -1.410 56.785 58.000 0.324 0.000 0.952 319 F CB 1.314 40.524 39.000 0.350 0.000 1.307 319 F HN 0.167 nan 8.300 nan 0.000 0.450 320 L N 2.270 123.769 121.223 0.460 0.000 2.330 320 L HA 0.484 4.824 4.340 -0.000 0.000 0.271 320 L C -1.548 175.632 176.870 0.516 0.000 1.013 320 L CA -1.233 53.825 54.840 0.363 0.000 0.816 320 L CB 2.170 44.353 42.059 0.207 0.000 1.287 320 L HN 0.745 nan 8.230 nan 0.000 0.435 321 Y N 1.479 121.973 120.300 0.323 0.000 2.345 321 Y HA 0.570 5.120 4.550 -0.000 0.000 0.331 321 Y C -0.079 175.967 175.900 0.243 0.000 0.959 321 Y CA -1.251 57.027 58.100 0.297 0.000 1.204 321 Y CB 1.579 40.231 38.460 0.321 0.000 1.135 321 Y HN 0.563 nan 8.280 nan 0.000 0.477 322 A N 5.130 127.865 122.820 -0.142 0.000 3.004 322 A HA 0.369 4.689 4.320 -0.000 0.000 0.286 322 A C 0.383 177.758 177.584 -0.350 0.000 1.632 322 A CA -0.025 51.933 52.037 -0.132 0.000 1.339 322 A CB -0.830 18.224 19.000 0.090 0.000 1.136 322 A HN 0.669 nan 8.150 nan 0.000 0.577 323 S N 1.053 116.514 115.700 -0.399 0.000 2.585 323 S HA 0.217 4.687 4.470 -0.000 0.000 0.273 323 S C 1.588 176.146 174.600 -0.071 0.000 1.339 323 S CA 0.112 58.164 58.200 -0.247 0.000 1.028 323 S CB 0.587 63.852 63.200 0.108 0.000 0.906 323 S HN 1.143 nan 8.310 nan 0.000 0.528 324 S N 2.905 118.585 115.700 -0.033 0.000 2.561 324 S HA 0.046 4.516 4.470 -0.000 0.000 0.225 324 S C 0.775 175.370 174.600 -0.008 0.000 0.977 324 S CA 0.027 58.221 58.200 -0.010 0.000 0.926 324 S CB -0.237 62.961 63.200 -0.003 0.000 0.769 324 S HN 0.726 nan 8.310 nan 0.000 0.533 325 R N 2.099 122.592 120.500 -0.011 0.000 2.204 325 R HA 0.305 4.645 4.340 -0.000 0.000 0.341 325 R C -0.045 176.267 176.300 0.021 0.000 1.035 325 R CA -0.686 55.400 56.100 -0.024 0.000 0.887 325 R CB 0.479 30.709 30.300 -0.118 0.000 1.114 325 R HN 0.256 nan 8.270 nan 0.000 0.473 326 R N 2.788 123.299 120.500 0.020 0.000 2.583 326 R HA -0.027 4.313 4.340 -0.000 0.000 0.274 326 R C 0.563 176.863 176.300 -0.001 0.000 0.998 326 R CA 1.802 57.917 56.100 0.026 0.000 1.081 326 R CB 0.239 30.580 30.300 0.068 0.000 0.940 326 R HN 0.991 nan 8.270 nan 0.000 0.413 327 G N 2.899 111.598 108.800 -0.169 0.000 2.162 327 G HA2 -0.341 3.619 3.960 -0.000 0.000 0.260 327 G HA3 -0.341 3.619 3.960 -0.000 0.000 0.260 327 G C -0.352 174.382 174.900 -0.277 0.000 0.976 327 G CA 0.439 45.261 45.100 -0.463 0.000 0.655 327 G HN 0.705 nan 8.290 nan 0.000 0.533 328 Y N 1.070 121.239 120.300 -0.219 0.000 2.531 328 Y HA 0.436 4.986 4.550 -0.000 0.000 0.347 328 Y C 1.183 177.081 175.900 -0.004 0.000 1.024 328 Y CA -0.591 57.416 58.100 -0.156 0.000 1.306 328 Y CB -0.422 38.054 38.460 0.027 0.000 1.149 328 Y HN 0.344 nan 8.280 nan 0.000 0.527 329 Y N 3.001 123.089 120.300 -0.354 0.000 2.950 329 Y HA -0.325 4.225 4.550 -0.000 0.000 0.214 329 Y C 1.589 177.432 175.900 -0.094 0.000 1.153 329 Y CA 0.565 58.460 58.100 -0.341 0.000 0.966 329 Y CB -1.033 37.201 38.460 -0.377 0.000 1.195 329 Y HN 0.869 nan 8.280 nan 0.000 0.507 330 G N -0.721 108.016 108.800 -0.106 0.000 2.744 330 G HA2 0.264 4.224 3.960 -0.000 0.000 0.211 330 G HA3 0.264 4.224 3.960 -0.000 0.000 0.211 330 G C 0.070 174.978 174.900 0.013 0.000 1.146 330 G CA 0.519 45.630 45.100 0.019 0.000 0.787 330 G HN 0.193 nan 8.290 nan 0.000 0.534 331 V N 0.738 120.507 119.914 -0.243 0.000 2.407 331 V HA 0.516 4.636 4.120 -0.000 0.000 0.291 331 V C -1.176 174.637 176.094 -0.468 0.000 1.018 331 V CA -1.068 61.081 62.300 -0.252 0.000 0.842 331 V CB 0.956 32.542 31.823 -0.394 0.000 0.996 331 V HN 0.279 nan 8.190 nan 0.000 0.426 332 W N 2.600 123.633 121.300 -0.444 0.000 2.639 332 W HA 0.783 5.443 4.660 -0.000 0.000 0.347 332 W C -0.001 176.138 176.519 -0.632 0.000 1.067 332 W CA -0.453 56.438 57.345 -0.757 0.000 1.218 332 W CB 1.500 29.906 29.460 -1.758 0.000 1.393 332 W HN 0.461 nan 8.180 nan 0.000 0.557 333 Q N 1.764 121.378 119.800 -0.310 0.000 2.309 333 Q HA 0.326 4.666 4.340 -0.000 0.000 0.273 333 Q C -1.333 174.242 176.000 -0.707 0.000 1.040 333 Q CA -0.733 54.822 55.803 -0.414 0.000 0.834 333 Q CB 2.303 30.859 28.738 -0.303 0.000 1.345 333 Q HN 0.575 nan 8.270 nan 0.000 0.414 334 E N 1.877 121.665 120.200 -0.686 0.000 2.244 334 E HA 0.399 4.749 4.350 -0.000 0.000 0.266 334 E C -1.150 174.989 176.600 -0.769 0.000 0.914 334 E CA -0.605 55.388 56.400 -0.677 0.000 0.794 334 E CB 0.882 30.378 29.700 -0.341 0.000 1.210 334 E HN 0.510 nan 8.360 nan 0.000 0.414 335 F N 1.153 121.077 119.950 -0.042 0.000 2.923 335 F HA 0.184 4.711 4.527 -0.000 0.000 0.314 335 F C 1.238 176.962 175.800 -0.126 0.000 1.196 335 F CA -0.461 57.457 58.000 -0.136 0.000 1.320 335 F CB 0.229 39.269 39.000 0.067 0.000 0.953 335 F HN 0.669 nan 8.300 nan 0.000 0.505 336 E N 0.588 120.789 120.200 0.001 0.000 2.130 336 E HA -0.268 4.082 4.350 -0.000 0.000 0.196 336 E C 1.422 177.952 176.600 -0.117 0.000 0.998 336 E CA 1.590 57.980 56.400 -0.017 0.000 0.806 336 E CB -0.220 29.452 29.700 -0.048 0.000 0.738 336 E HN 0.472 nan 8.360 nan 0.000 0.459 337 K N 0.168 120.399 120.400 -0.282 0.000 2.098 337 K HA -0.046 4.274 4.320 -0.000 0.000 0.203 337 K C 2.296 178.563 176.600 -0.555 0.000 1.051 337 K CA 1.239 57.250 56.287 -0.460 0.000 0.957 337 K CB 0.069 32.083 32.500 -0.809 0.000 0.738 337 K HN 0.026 nan 8.250 nan 0.000 0.447 338 Q N -0.413 119.010 119.800 -0.629 0.000 2.083 338 Q HA -0.044 4.296 4.340 -0.000 0.000 0.198 338 Q C -0.021 175.702 176.000 -0.462 0.000 0.969 338 Q CA 1.270 56.655 55.803 -0.696 0.000 0.838 338 Q CB 0.228 28.323 28.738 -1.071 0.000 0.900 338 Q HN 0.345 nan 8.270 nan 0.000 0.436 339 Y N -0.467 119.862 120.300 0.049 0.000 2.584 339 Y HA 0.369 4.919 4.550 -0.000 0.000 0.358 339 Y C -2.292 173.662 175.900 0.091 0.000 1.028 339 Y CA -2.936 55.206 58.100 0.069 0.000 1.148 339 Y CB 0.886 39.380 38.460 0.057 0.000 1.126 339 Y HN -0.046 nan 8.280 nan 0.000 0.658 340 P HA -0.052 nan 4.420 nan 0.000 0.264 340 P C 0.154 177.524 177.300 0.116 0.000 1.183 340 P CA 0.911 64.073 63.100 0.104 0.000 0.763 340 P CB 0.538 32.277 31.700 0.065 0.000 0.807 341 D N 0.982 121.441 120.400 0.098 0.000 3.006 341 D HA -0.264 4.376 4.640 -0.000 0.000 0.208 341 D C 1.019 177.391 176.300 0.120 0.000 1.116 341 D CA 1.630 55.681 54.000 0.083 0.000 0.998 341 D CB -1.433 39.397 40.800 0.049 0.000 1.124 341 D HN 0.513 nan 8.370 nan 0.000 0.413 342 A N 0.436 123.366 122.820 0.184 0.000 2.119 342 A HA -0.048 4.272 4.320 -0.000 0.000 0.216 342 A C 1.013 178.753 177.584 0.259 0.000 1.152 342 A CA 1.139 53.291 52.037 0.191 0.000 0.708 342 A CB 0.068 19.187 19.000 0.198 0.000 0.805 342 A HN 0.259 nan 8.150 nan 0.000 0.460 343 N N -1.372 117.539 118.700 0.351 0.000 2.758 343 N HA -0.122 4.618 4.740 -0.000 0.000 0.248 343 N C -0.674 175.230 175.510 0.657 0.000 1.076 343 N CA 1.058 54.424 53.050 0.527 0.000 0.696 343 N CB -1.833 36.895 38.487 0.402 0.000 0.979 343 N HN 0.256 nan 8.380 nan 0.000 0.550 344 V N 0.677 120.947 119.914 0.593 0.000 2.581 344 V HA 0.591 4.711 4.120 -0.000 0.000 0.303 344 V C 0.669 177.050 176.094 0.478 0.000 1.041 344 V CA -0.676 61.983 62.300 0.600 0.000 0.907 344 V CB 2.427 34.629 31.823 0.632 0.000 0.994 344 V HN 0.137 nan 8.190 nan 0.000 0.442 345 L N 4.149 125.610 121.223 0.396 0.000 2.323 345 L HA 0.667 5.007 4.340 -0.000 0.000 0.265 345 L C -1.200 175.836 176.870 0.277 0.000 1.012 345 L CA -0.921 54.008 54.840 0.148 0.000 0.820 345 L CB 2.147 44.291 42.059 0.142 0.000 1.334 345 L HN 0.446 nan 8.230 nan 0.000 0.427 346 L N 2.359 123.621 121.223 0.065 0.000 2.372 346 L HA 0.631 4.971 4.340 -0.000 0.000 0.274 346 L C -1.184 175.458 176.870 -0.380 0.000 0.988 346 L CA -0.356 54.388 54.840 -0.160 0.000 0.833 346 L CB 1.777 43.835 42.059 -0.002 0.000 1.236 346 L HN 0.304 nan 8.230 nan 0.000 0.410 347 V N 4.867 124.411 119.914 -0.617 0.000 2.513 347 V HA 0.716 4.836 4.120 -0.000 0.000 0.299 347 V C -0.368 175.397 176.094 -0.549 0.000 1.035 347 V CA 0.054 61.729 62.300 -1.041 0.000 0.889 347 V CB 2.131 32.833 31.823 -1.869 0.000 0.988 347 V HN 0.926 nan 8.190 nan 0.000 0.440 348 T N 6.583 120.864 114.554 -0.455 0.000 2.797 348 T HA 0.682 5.032 4.350 -0.000 0.000 0.279 348 T C -0.388 174.164 174.700 -0.246 0.000 0.991 348 T CA -0.223 61.695 62.100 -0.303 0.000 0.979 348 T CB 1.378 70.129 68.868 -0.194 0.000 0.943 348 T HN 1.072 nan 8.240 nan 0.000 0.444 349 V N 0.632 120.420 119.914 -0.211 0.000 3.141 349 V HA 1.034 5.154 4.120 -0.000 0.000 0.312 349 V C -0.294 175.767 176.094 -0.055 0.000 1.157 349 V CA -0.851 61.378 62.300 -0.118 0.000 1.041 349 V CB 1.870 33.551 31.823 -0.236 0.000 1.071 349 V HN 1.045 nan 8.190 nan 0.000 0.441 350 T N -2.503 112.081 114.554 0.050 0.000 2.671 350 T HA 0.611 4.961 4.350 -0.000 0.000 0.300 350 T C 0.060 174.765 174.700 0.008 0.000 1.238 350 T CA 0.505 62.626 62.100 0.035 0.000 1.020 350 T CB 1.175 70.092 68.868 0.083 0.000 1.503 350 T HN 1.680 nan 8.240 nan 0.000 0.497 351 D N 0.404 120.781 120.400 -0.038 0.000 3.750 351 D HA -0.296 4.344 4.640 -0.000 0.000 0.149 351 D C 1.307 177.534 176.300 -0.122 0.000 0.867 351 D CA 2.266 56.217 54.000 -0.082 0.000 1.010 351 D CB -0.997 39.794 40.800 -0.015 0.000 0.462 351 D HN 0.822 nan 8.370 nan 0.000 0.436 352 E N -0.370 119.782 120.200 -0.080 0.000 2.085 352 E HA -0.220 4.130 4.350 -0.000 0.000 0.194 352 E C 1.981 178.529 176.600 -0.087 0.000 0.994 352 E CA 1.320 57.663 56.400 -0.095 0.000 0.801 352 E CB -0.147 29.527 29.700 -0.044 0.000 0.743 352 E HN 0.347 nan 8.360 nan 0.000 0.453 353 E N 0.287 120.453 120.200 -0.057 0.000 2.106 353 E HA -0.086 4.264 4.350 -0.000 0.000 0.192 353 E C 2.230 178.781 176.600 -0.083 0.000 0.984 353 E CA 0.550 56.904 56.400 -0.076 0.000 0.806 353 E CB -0.079 29.543 29.700 -0.130 0.000 0.750 353 E HN 0.067 nan 8.360 nan 0.000 0.458 354 S N 0.845 116.497 115.700 -0.081 0.000 2.368 354 S HA -0.130 4.340 4.470 -0.000 0.000 0.225 354 S C 1.919 176.483 174.600 -0.060 0.000 1.030 354 S CA 1.026 59.198 58.200 -0.048 0.000 0.999 354 S CB -0.112 63.068 63.200 -0.033 0.000 0.844 354 S HN 0.248 nan 8.310 nan 0.000 0.459 355 R N 0.738 121.104 120.500 -0.223 0.000 2.115 355 R HA 0.024 4.364 4.340 -0.000 0.000 0.230 355 R C 2.571 178.852 176.300 -0.033 0.000 1.111 355 R CA 1.038 56.937 56.100 -0.336 0.000 0.976 355 R CB -0.219 29.577 30.300 -0.840 0.000 0.870 355 R HN 0.313 nan 8.270 nan 0.000 0.445 356 R N 1.187 121.669 120.500 -0.030 0.000 2.066 356 R HA -0.073 4.267 4.340 -0.000 0.000 0.232 356 R C 2.089 178.440 176.300 0.086 0.000 1.131 356 R CA 1.356 57.481 56.100 0.042 0.000 0.955 356 R CB -0.161 30.157 30.300 0.029 0.000 0.851 356 R HN 0.156 nan 8.270 nan 0.000 0.432 357 I N 0.866 121.478 120.570 0.069 0.000 2.315 357 I HA -0.195 3.975 4.170 -0.000 0.000 0.248 357 I C 1.903 178.098 176.117 0.131 0.000 1.117 357 I CA 1.253 62.612 61.300 0.098 0.000 1.404 357 I CB -0.201 37.841 38.000 0.069 0.000 1.071 357 I HN 0.298 nan 8.210 nan 0.000 0.419 358 E N 0.522 120.822 120.200 0.167 0.000 2.268 358 E HA -0.221 4.129 4.350 -0.000 0.000 0.195 358 E C 1.558 178.274 176.600 0.194 0.000 0.995 358 E CA 0.762 57.288 56.400 0.211 0.000 0.836 358 E CB -0.025 29.884 29.700 0.347 0.000 0.763 358 E HN 0.613 nan 8.360 nan 0.000 0.491 359 Q N 0.467 120.386 119.800 0.199 0.000 2.320 359 Q HA 0.013 4.353 4.340 -0.000 0.000 0.201 359 Q C 0.407 176.477 176.000 0.117 0.000 0.910 359 Q CA 0.051 55.953 55.803 0.164 0.000 0.946 359 Q CB 0.291 29.145 28.738 0.193 0.000 1.062 359 Q HN 0.288 nan 8.270 nan 0.000 0.503 360 Q N -0.746 119.120 119.800 0.111 0.000 2.496 360 Q HA 0.533 4.873 4.340 -0.000 0.000 0.286 360 Q C -0.595 175.458 176.000 0.088 0.000 1.103 360 Q CA -0.937 54.922 55.803 0.095 0.000 0.813 360 Q CB 1.276 30.075 28.738 0.102 0.000 1.444 360 Q HN 0.013 nan 8.270 nan 0.000 0.443 361 S N 0.147 115.893 115.700 0.077 0.000 2.593 361 S HA 0.059 4.529 4.470 -0.000 0.000 0.269 361 S C 0.063 174.707 174.600 0.075 0.000 1.334 361 S CA -0.032 58.209 58.200 0.068 0.000 1.015 361 S CB 0.611 63.846 63.200 0.058 0.000 0.912 361 S HN 0.652 nan 8.310 nan 0.000 0.541 362 D N 0.831 121.272 120.400 0.068 0.000 2.149 362 D HA -0.144 4.496 4.640 -0.000 0.000 0.198 362 D C 1.748 178.088 176.300 0.067 0.000 0.990 362 D CA 1.674 55.716 54.000 0.071 0.000 0.839 362 D CB -0.335 40.506 40.800 0.069 0.000 0.948 362 D HN 0.894 nan 8.370 nan 0.000 0.460 363 E N 0.606 120.842 120.200 0.060 0.000 2.077 363 E HA -0.221 4.129 4.350 -0.000 0.000 0.193 363 E C 1.787 178.423 176.600 0.061 0.000 0.989 363 E CA 0.909 57.341 56.400 0.054 0.000 0.800 363 E CB 0.063 29.791 29.700 0.047 0.000 0.746 363 E HN 0.351 nan 8.360 nan 0.000 0.452 364 Q N -0.212 119.630 119.800 0.070 0.000 2.079 364 Q HA -0.104 4.235 4.340 -0.000 0.000 0.200 364 Q C 2.251 178.309 176.000 0.097 0.000 0.974 364 Q CA 1.893 57.745 55.803 0.082 0.000 0.840 364 Q CB -0.068 28.723 28.738 0.087 0.000 0.898 364 Q HN 0.256 nan 8.270 nan 0.000 0.430 365 T N 1.142 115.758 114.554 0.103 0.000 2.821 365 T HA -0.152 4.197 4.350 -0.000 0.000 0.267 365 T C 1.719 176.445 174.700 0.044 0.000 1.046 365 T CA 1.379 63.551 62.100 0.120 0.000 1.139 365 T CB -0.094 68.852 68.868 0.131 0.000 0.871 365 T HN 0.218 nan 8.240 nan 0.000 0.454 366 K N 1.089 121.514 120.400 0.041 0.000 2.057 366 K HA -0.020 4.300 4.320 -0.000 0.000 0.207 366 K C 2.430 179.040 176.600 0.017 0.000 1.049 366 K CA 1.237 57.536 56.287 0.020 0.000 0.931 366 K CB -0.322 32.200 32.500 0.036 0.000 0.714 366 K HN 0.259 nan 8.250 nan 0.000 0.440 367 A N 1.104 123.947 122.820 0.038 0.000 1.902 367 A HA -0.199 4.121 4.320 -0.000 0.000 0.217 367 A C 1.854 179.460 177.584 0.036 0.000 1.181 367 A CA 1.784 53.847 52.037 0.044 0.000 0.623 367 A CB -0.497 18.538 19.000 0.057 0.000 0.818 367 A HN 0.487 nan 8.150 nan 0.000 0.443 368 E N -0.370 119.857 120.200 0.046 0.000 2.077 368 E HA -0.143 4.207 4.350 -0.000 0.000 0.193 368 E C 1.834 178.353 176.600 -0.135 0.000 0.989 368 E CA 1.209 57.650 56.400 0.068 0.000 0.800 368 E CB -0.271 29.562 29.700 0.222 0.000 0.746 368 E HN 0.701 nan 8.360 nan 0.000 0.452 369 I N 0.584 120.963 120.570 -0.319 0.000 2.394 369 I HA -0.249 3.921 4.170 -0.000 0.000 0.251 369 I C 2.206 178.270 176.117 -0.088 0.000 1.136 369 I CA 0.595 61.653 61.300 -0.404 0.000 1.425 369 I CB -0.099 37.699 38.000 -0.337 0.000 1.079 369 I HN 0.191 nan 8.210 nan 0.000 0.425 370 M N -0.139 119.456 119.600 -0.008 0.000 2.175 370 M HA -0.189 4.291 4.480 -0.000 0.000 0.264 370 M C 2.236 178.533 176.300 -0.004 0.000 1.063 370 M CA 1.655 56.979 55.300 0.039 0.000 1.119 370 M CB -1.174 31.462 32.600 0.060 0.000 1.377 370 M HN 0.295 nan 8.290 nan 0.000 0.415 371 Q N -0.521 119.283 119.800 0.005 0.000 2.084 371 Q HA -0.135 4.205 4.340 -0.000 0.000 0.202 371 Q C 2.253 178.246 176.000 -0.013 0.000 0.978 371 Q CA 1.428 57.243 55.803 0.021 0.000 0.844 371 Q CB -0.232 28.554 28.738 0.079 0.000 0.898 371 Q HN 0.312 nan 8.270 nan 0.000 0.426 372 V N 1.120 121.003 119.914 -0.051 0.000 2.261 372 V HA -0.275 3.845 4.120 -0.000 0.000 0.246 372 V C 2.210 178.128 176.094 -0.294 0.000 1.047 372 V CA 1.650 63.829 62.300 -0.201 0.000 1.015 372 V CB -0.479 31.186 31.823 -0.263 0.000 0.642 372 V HN 0.347 nan 8.190 nan 0.000 0.446 373 L N -0.742 120.367 121.223 -0.190 0.000 2.131 373 L HA -0.188 4.152 4.340 -0.000 0.000 0.210 373 L C 2.715 179.531 176.870 -0.089 0.000 1.092 373 L CA 1.573 56.325 54.840 -0.147 0.000 0.759 373 L CB -0.532 41.522 42.059 -0.009 0.000 0.903 373 L HN 0.234 nan 8.230 nan 0.000 0.435 374 R N -0.059 120.384 120.500 -0.095 0.000 2.115 374 R HA -0.137 4.203 4.340 -0.000 0.000 0.230 374 R C 2.262 178.530 176.300 -0.054 0.000 1.111 374 R CA 1.129 57.186 56.100 -0.072 0.000 0.976 374 R CB -0.100 30.165 30.300 -0.058 0.000 0.870 374 R HN 0.321 nan 8.270 nan 0.000 0.445 375 K N -0.012 120.347 120.400 -0.069 0.000 2.148 375 K HA -0.048 4.272 4.320 -0.000 0.000 0.204 375 K C 1.991 178.547 176.600 -0.072 0.000 1.050 375 K CA 1.245 57.517 56.287 -0.025 0.000 0.942 375 K CB 0.031 32.566 32.500 0.058 0.000 0.724 375 K HN 0.155 nan 8.250 nan 0.000 0.446 376 M N -0.571 118.876 119.600 -0.254 0.000 2.254 376 M HA -0.044 4.436 4.480 -0.000 0.000 0.265 376 M C 0.239 176.128 176.300 -0.685 0.000 1.066 376 M CA 1.398 56.386 55.300 -0.521 0.000 1.123 376 M CB 0.268 32.207 32.600 -1.102 0.000 1.388 376 M HN -0.034 nan 8.290 nan 0.000 0.425 377 F N -0.346 119.574 119.950 -0.051 0.000 2.597 377 F HA 0.284 4.811 4.527 -0.000 0.000 0.336 377 F C -1.673 174.104 175.800 -0.039 0.000 1.432 377 F CA -1.904 56.090 58.000 -0.012 0.000 1.120 377 F CB 0.008 39.004 39.000 -0.008 0.000 1.253 377 F HN -0.063 nan 8.300 nan 0.000 0.546 378 P HA -0.160 nan 4.420 nan 0.000 0.217 378 P C 1.768 179.094 177.300 0.042 0.000 1.148 378 P CA 1.388 64.510 63.100 0.036 0.000 0.828 378 P CB 0.144 31.855 31.700 0.018 0.000 0.783 379 G N -0.734 108.107 108.800 0.069 0.000 2.776 379 G HA2 -0.075 3.885 3.960 -0.000 0.000 0.209 379 G HA3 -0.075 3.885 3.960 -0.000 0.000 0.209 379 G C 0.546 175.469 174.900 0.037 0.000 1.145 379 G CA 0.224 45.353 45.100 0.049 0.000 0.791 379 G HN 0.251 nan 8.290 nan 0.000 0.530 380 K N 0.242 120.667 120.400 0.041 0.000 2.295 380 K HA 0.353 4.673 4.320 -0.000 0.000 0.239 380 K C -1.505 175.056 176.600 -0.065 0.000 0.991 380 K CA -1.091 55.189 56.287 -0.012 0.000 0.845 380 K CB 1.459 33.950 32.500 -0.015 0.000 1.197 380 K HN -0.135 nan 8.250 nan 0.000 0.441 381 D N 1.557 121.907 120.400 -0.082 0.000 2.396 381 D HA 0.189 4.829 4.640 -0.000 0.000 0.225 381 D C -0.978 175.215 176.300 -0.178 0.000 1.121 381 D CA -0.466 53.477 54.000 -0.096 0.000 0.853 381 D CB 0.786 41.549 40.800 -0.062 0.000 1.043 381 D HN 0.061 nan 8.370 nan 0.000 0.500 382 V N 7.194 126.947 119.914 -0.267 0.000 2.348 382 V HA 0.284 4.404 4.120 -0.000 0.000 0.270 382 V C -1.724 174.199 176.094 -0.284 0.000 1.037 382 V CA -1.336 60.645 62.300 -0.531 0.000 0.872 382 V CB 1.138 32.521 31.823 -0.733 0.000 1.002 382 V HN 0.498 nan 8.190 nan 0.000 0.464 383 P HA 0.197 nan 4.420 nan 0.000 0.271 383 P C -0.524 176.882 177.300 0.176 0.000 1.218 383 P CA -0.406 62.720 63.100 0.044 0.000 0.780 383 P CB 0.874 32.664 31.700 0.149 0.000 0.901 384 D N 0.319 120.810 120.400 0.152 0.000 2.423 384 D HA 0.266 4.906 4.640 -0.000 0.000 0.238 384 D C 0.511 176.957 176.300 0.242 0.000 1.142 384 D CA 0.446 54.558 54.000 0.186 0.000 0.884 384 D CB 0.292 41.150 40.800 0.096 0.000 1.199 384 D HN 0.398 nan 8.370 nan 0.000 0.438 385 A N 1.682 124.575 122.820 0.122 0.000 2.407 385 A HA 0.224 4.544 4.320 -0.000 0.000 0.248 385 A C 1.268 178.796 177.584 -0.093 0.000 1.082 385 A CA -0.091 51.761 52.037 -0.309 0.000 0.785 385 A CB 0.486 19.129 19.000 -0.595 0.000 1.020 385 A HN 0.583 nan 8.150 nan 0.000 0.489 386 T N 0.692 115.183 114.554 -0.104 0.000 3.051 386 T HA 0.110 4.459 4.350 -0.000 0.000 0.255 386 T C -0.076 174.586 174.700 -0.062 0.000 1.085 386 T CA 0.978 63.049 62.100 -0.047 0.000 1.109 386 T CB -0.163 68.681 68.868 -0.039 0.000 0.921 386 T HN 0.749 nan 8.240 nan 0.000 0.488 387 D N -0.150 120.203 120.400 -0.079 0.000 2.661 387 D HA 0.499 5.139 4.640 -0.000 0.000 0.228 387 D C -1.191 175.244 176.300 0.224 0.000 1.210 387 D CA -0.449 53.550 54.000 -0.002 0.000 0.826 387 D CB 2.594 43.261 40.800 -0.221 0.000 1.542 387 D HN 0.145 nan 8.370 nan 0.000 0.447 388 I N 0.834 121.604 120.570 0.333 0.000 2.827 388 I HA 0.495 4.665 4.170 -0.000 0.000 0.298 388 I C -2.138 174.136 176.117 0.261 0.000 1.235 388 I CA -0.954 60.516 61.300 0.284 0.000 1.021 388 I CB 2.400 40.471 38.000 0.118 0.000 1.259 388 I HN 0.228 nan 8.210 nan 0.000 0.427 389 L N 8.077 129.323 121.223 0.039 0.000 2.406 389 L HA 0.624 4.964 4.340 -0.000 0.000 0.272 389 L C -1.720 175.172 176.870 0.037 0.000 0.980 389 L CA -0.348 54.496 54.840 0.007 0.000 0.831 389 L CB 1.842 43.743 42.059 -0.263 0.000 1.253 389 L HN 0.318 nan 8.230 nan 0.000 0.406 390 V N 6.646 126.598 119.914 0.064 0.000 2.284 390 V HA 0.462 4.582 4.120 -0.000 0.000 0.274 390 V C -2.039 174.102 176.094 0.078 0.000 1.023 390 V CA -1.319 61.029 62.300 0.081 0.000 0.808 390 V CB 0.934 32.807 31.823 0.083 0.000 1.035 390 V HN 0.716 nan 8.190 nan 0.000 0.445 391 P HA 0.282 nan 4.420 nan 0.000 0.269 391 P C -0.156 177.174 177.300 0.049 0.000 1.209 391 P CA -0.115 63.003 63.100 0.031 0.000 0.776 391 P CB 0.481 32.296 31.700 0.191 0.000 0.876 392 R N 1.897 122.355 120.500 -0.070 0.000 2.835 392 R HA 0.155 4.495 4.340 -0.000 0.000 0.290 392 R C 0.247 176.615 176.300 0.112 0.000 1.410 392 R CA -0.125 56.019 56.100 0.074 0.000 1.590 392 R CB -0.042 30.287 30.300 0.049 0.000 1.288 392 R HN 0.623 nan 8.270 nan 0.000 0.637 393 W N -0.377 121.026 121.300 0.171 0.000 2.374 393 W HA -0.174 4.486 4.660 -0.000 0.000 0.288 393 W C 1.811 178.480 176.519 0.249 0.000 1.218 393 W CA 0.321 57.775 57.345 0.181 0.000 1.245 393 W CB -0.031 29.519 29.460 0.150 0.000 1.126 393 W HN 0.530 nan 8.180 nan 0.000 0.545 394 W N 0.799 122.278 121.300 0.298 0.000 2.409 394 W HA -0.117 4.543 4.660 -0.000 0.000 0.299 394 W C 2.164 178.764 176.519 0.134 0.000 1.203 394 W CA 1.896 59.351 57.345 0.184 0.000 1.298 394 W CB -0.754 28.780 29.460 0.125 0.000 1.127 394 W HN -0.357 nan 8.180 nan 0.000 0.528 395 S N -0.092 115.603 115.700 -0.009 0.000 2.453 395 S HA -0.131 4.339 4.470 -0.000 0.000 0.231 395 S C 0.312 174.802 174.600 -0.184 0.000 1.005 395 S CA 0.762 58.790 58.200 -0.287 0.000 0.949 395 S CB -0.536 62.598 63.200 -0.111 0.000 0.774 395 S HN 0.176 nan 8.310 nan 0.000 0.510 396 D N 1.833 122.222 120.400 -0.018 0.000 2.339 396 D HA 0.034 4.674 4.640 -0.000 0.000 0.256 396 D C 1.251 177.492 176.300 -0.100 0.000 1.214 396 D CA -0.349 53.632 54.000 -0.031 0.000 0.877 396 D CB 0.741 41.645 40.800 0.172 0.000 1.111 396 D HN 0.315 nan 8.370 nan 0.000 0.478 397 R N 3.198 123.496 120.500 -0.336 0.000 2.200 397 R HA -0.124 4.216 4.340 -0.000 0.000 0.234 397 R C 1.203 177.334 176.300 -0.282 0.000 1.127 397 R CA 1.260 57.145 56.100 -0.358 0.000 0.989 397 R CB -0.453 29.582 30.300 -0.440 0.000 0.869 397 R HN 0.380 nan 8.270 nan 0.000 0.459 398 F N -1.100 118.776 119.950 -0.124 0.000 2.765 398 F HA 0.210 4.737 4.527 -0.000 0.000 0.302 398 F C 0.709 176.036 175.800 -0.790 0.000 1.111 398 F CA -0.215 57.535 58.000 -0.417 0.000 1.359 398 F CB 0.315 39.002 39.000 -0.521 0.000 1.097 398 F HN -0.055 nan 8.300 nan 0.000 0.577 399 Y N -1.627 118.823 120.300 0.251 0.000 2.820 399 Y HA 0.166 4.716 4.550 -0.000 0.000 0.261 399 Y C 0.871 176.887 175.900 0.193 0.000 1.123 399 Y CA -0.675 57.589 58.100 0.273 0.000 1.217 399 Y CB 0.212 38.963 38.460 0.485 0.000 1.432 399 Y HN -0.380 nan 8.280 nan 0.000 0.461 400 K N 1.113 121.695 120.400 0.304 0.000 3.069 400 K HA -0.128 4.192 4.320 -0.000 0.000 0.267 400 K C 0.114 176.923 176.600 0.347 0.000 1.082 400 K CA 1.107 57.528 56.287 0.223 0.000 0.782 400 K CB -1.768 30.801 32.500 0.115 0.000 1.230 400 K HN 0.821 nan 8.250 nan 0.000 0.488 401 G N -2.361 106.674 108.800 0.391 0.000 2.369 401 G HA2 0.109 4.069 3.960 -0.000 0.000 0.295 401 G HA3 0.109 4.069 3.960 -0.000 0.000 0.295 401 G C 0.430 175.389 174.900 0.098 0.000 1.298 401 G CA 0.448 45.701 45.100 0.254 0.000 0.940 401 G HN 0.201 nan 8.290 nan 0.000 0.536 402 T N -2.545 111.905 114.554 -0.172 0.000 3.026 402 T HA 0.618 4.968 4.350 -0.000 0.000 0.245 402 T C 0.440 175.012 174.700 -0.213 0.000 1.004 402 T CA 1.557 63.431 62.100 -0.377 0.000 1.069 402 T CB 0.110 68.653 68.868 -0.541 0.000 1.005 402 T HN 1.841 nan 8.240 nan 0.000 0.472 403 F N 0.788 120.699 119.950 -0.066 0.000 2.725 403 F HA 0.719 5.246 4.527 -0.000 0.000 0.309 403 F C -0.410 175.405 175.800 0.025 0.000 1.132 403 F CA -1.721 56.248 58.000 -0.051 0.000 0.957 403 F CB 0.597 39.499 39.000 -0.163 0.000 1.286 403 F HN 0.114 nan 8.300 nan 0.000 0.440 404 S N 1.165 117.071 115.700 0.344 0.000 2.600 404 S HA 0.604 5.074 4.470 -0.000 0.000 0.265 404 S C -0.709 174.092 174.600 0.334 0.000 1.325 404 S CA -0.282 58.116 58.200 0.330 0.000 1.002 404 S CB 1.334 64.854 63.200 0.534 0.000 0.921 404 S HN 0.906 nan 8.310 nan 0.000 0.554 405 N N -0.268 118.500 118.700 0.113 0.000 2.287 405 N HA 0.256 4.996 4.740 -0.000 0.000 0.289 405 N C -2.026 173.236 175.510 -0.413 0.000 1.066 405 N CA -0.602 52.465 53.050 0.029 0.000 0.841 405 N CB 1.167 39.686 38.487 0.052 0.000 1.599 405 N HN 0.802 nan 8.380 nan 0.000 0.476 406 W N 6.578 127.576 121.300 -0.504 0.000 2.387 406 W HA 0.419 5.078 4.660 -0.000 0.000 0.310 406 W C -2.518 173.706 176.519 -0.492 0.000 1.181 406 W CA -1.803 55.112 57.345 -0.716 0.000 1.333 406 W CB 0.441 29.751 29.460 -0.250 0.000 1.286 406 W HN 0.411 nan 8.180 nan 0.000 0.455 407 P HA 0.061 nan 4.420 nan 0.000 0.284 407 P C -0.513 176.837 177.300 0.084 0.000 1.258 407 P CA -0.318 62.739 63.100 -0.071 0.000 0.824 407 P CB 2.408 34.021 31.700 -0.146 0.000 1.038 408 V N 1.779 121.703 119.914 0.016 0.000 2.655 408 V HA 0.388 4.508 4.120 -0.000 0.000 0.300 408 V C 1.300 177.427 176.094 0.056 0.000 1.044 408 V CA 1.972 64.290 62.300 0.029 0.000 1.095 408 V CB -0.338 31.471 31.823 -0.023 0.000 0.952 408 V HN 1.031 nan 8.190 nan 0.000 0.485 409 G N 4.288 113.141 108.800 0.088 0.000 2.391 409 G HA2 -0.170 3.790 3.960 -0.000 0.000 0.204 409 G HA3 -0.170 3.790 3.960 -0.000 0.000 0.204 409 G C -0.014 174.972 174.900 0.143 0.000 1.012 409 G CA -0.022 45.130 45.100 0.085 0.000 0.651 409 G HN 1.218 nan 8.290 nan 0.000 0.494 410 V N 3.648 123.695 119.914 0.221 0.000 2.465 410 V HA 0.581 4.701 4.120 -0.000 0.000 0.279 410 V C 0.362 176.749 176.094 0.489 0.000 1.045 410 V CA -0.214 62.255 62.300 0.282 0.000 0.938 410 V CB 1.383 33.321 31.823 0.193 0.000 0.986 410 V HN 0.738 nan 8.190 nan 0.000 0.467 411 N N 4.711 123.640 118.700 0.381 0.000 2.592 411 N HA 0.311 5.051 4.740 -0.000 0.000 0.292 411 N C 0.820 176.640 175.510 0.518 0.000 1.260 411 N CA -0.993 52.312 53.050 0.424 0.000 0.910 411 N CB 0.785 39.420 38.487 0.247 0.000 1.257 411 N HN 0.315 nan 8.380 nan 0.000 0.569 412 R N -0.591 120.204 120.500 0.492 0.000 2.096 412 R HA -0.137 4.203 4.340 -0.000 0.000 0.235 412 R C 1.809 178.309 176.300 0.333 0.000 1.127 412 R CA 1.419 57.820 56.100 0.500 0.000 0.968 412 R CB -1.345 29.174 30.300 0.367 0.000 0.861 412 R HN 0.715 nan 8.270 nan 0.000 0.440 413 Y N 1.244 121.633 120.300 0.148 0.000 2.200 413 Y HA -0.095 4.455 4.550 -0.000 0.000 0.290 413 Y C 1.523 177.439 175.900 0.028 0.000 1.137 413 Y CA 2.226 60.360 58.100 0.057 0.000 1.163 413 Y CB -0.007 38.468 38.460 0.025 0.000 0.988 413 Y HN 0.284 nan 8.280 nan 0.000 0.518 414 E N -1.375 118.899 120.200 0.123 0.000 2.208 414 E HA -0.225 4.124 4.350 -0.000 0.000 0.193 414 E C 1.717 178.244 176.600 -0.122 0.000 0.988 414 E CA 1.160 57.548 56.400 -0.020 0.000 0.828 414 E CB -0.481 29.288 29.700 0.116 0.000 0.763 414 E HN 0.614 nan 8.360 nan 0.000 0.478 415 Y N 2.273 122.428 120.300 -0.241 0.000 2.200 415 Y HA -0.180 4.370 4.550 -0.000 0.000 0.290 415 Y C 1.508 177.157 175.900 -0.418 0.000 1.137 415 Y CA 1.537 59.327 58.100 -0.518 0.000 1.163 415 Y CB -0.012 37.951 38.460 -0.828 0.000 0.988 415 Y HN -0.094 nan 8.280 nan 0.000 0.518 416 D N -0.008 120.199 120.400 -0.323 0.000 2.178 416 D HA -0.179 4.461 4.640 -0.000 0.000 0.201 416 D C 1.968 178.004 176.300 -0.441 0.000 0.980 416 D CA 1.287 55.045 54.000 -0.403 0.000 0.842 416 D CB -0.266 40.400 40.800 -0.224 0.000 0.948 416 D HN 0.551 nan 8.370 nan 0.000 0.472 417 Q N -0.146 119.391 119.800 -0.437 0.000 2.226 417 Q HA -0.052 4.288 4.340 -0.000 0.000 0.204 417 Q C 2.266 178.127 176.000 -0.231 0.000 0.975 417 Q CA 0.349 55.984 55.803 -0.280 0.000 0.866 417 Q CB 0.023 28.654 28.738 -0.177 0.000 0.915 417 Q HN 0.350 nan 8.270 nan 0.000 0.440 418 L N 0.122 121.083 121.223 -0.435 0.000 2.191 418 L HA -0.179 4.161 4.340 -0.000 0.000 0.212 418 L C 2.489 179.057 176.870 -0.504 0.000 1.103 418 L CA 1.052 55.586 54.840 -0.510 0.000 0.769 418 L CB -0.146 41.523 42.059 -0.650 0.000 0.908 418 L HN 0.159 nan 8.230 nan 0.000 0.438 419 R N 0.060 120.280 120.500 -0.467 0.000 2.246 419 R HA 0.119 4.459 4.340 -0.000 0.000 0.199 419 R C 0.833 177.050 176.300 -0.139 0.000 0.984 419 R CA 0.334 56.246 56.100 -0.314 0.000 1.015 419 R CB 0.184 30.275 30.300 -0.348 0.000 0.930 419 R HN 0.209 nan 8.270 nan 0.000 0.475 420 A N 2.731 125.475 122.820 -0.128 0.000 2.462 420 A HA 0.279 4.599 4.320 -0.000 0.000 0.243 420 A C -2.211 175.424 177.584 0.084 0.000 1.076 420 A CA -1.243 50.787 52.037 -0.012 0.000 0.773 420 A CB 0.070 19.090 19.000 0.033 0.000 1.010 420 A HN 0.192 nan 8.150 nan 0.000 0.493 421 P HA 0.298 nan 4.420 nan 0.000 0.274 421 P C -0.826 176.427 177.300 -0.079 0.000 1.246 421 P CA -0.202 62.763 63.100 -0.225 0.000 0.795 421 P CB 0.925 32.139 31.700 -0.810 0.000 1.006 422 V N 1.588 121.406 119.914 -0.160 0.000 2.357 422 V HA 0.465 4.585 4.120 -0.000 0.000 0.281 422 V C 1.103 177.092 176.094 -0.174 0.000 1.015 422 V CA 0.622 62.856 62.300 -0.109 0.000 0.827 422 V CB 0.155 31.855 31.823 -0.206 0.000 1.018 422 V HN 1.075 nan 8.190 nan 0.000 0.432 423 G N 5.883 114.654 108.800 -0.047 0.000 2.602 423 G HA2 -0.340 3.620 3.960 -0.000 0.000 0.310 423 G HA3 -0.340 3.620 3.960 -0.000 0.000 0.310 423 G C 0.810 175.709 174.900 -0.001 0.000 1.183 423 G CA 0.889 46.007 45.100 0.030 0.000 0.979 423 G HN 0.610 nan 8.290 nan 0.000 0.545 424 R N -0.254 120.288 120.500 0.069 0.000 2.334 424 R HA 0.386 4.726 4.340 -0.000 0.000 0.216 424 R C 0.152 176.566 176.300 0.189 0.000 0.905 424 R CA 0.165 56.413 56.100 0.247 0.000 1.064 424 R CB 0.580 30.954 30.300 0.123 0.000 1.046 424 R HN 0.241 nan 8.270 nan 0.000 0.508 425 V N 2.108 121.922 119.914 -0.168 0.000 2.334 425 V HA 0.185 4.305 4.120 -0.000 0.000 0.267 425 V C -0.571 175.230 176.094 -0.489 0.000 1.040 425 V CA -0.480 61.634 62.300 -0.309 0.000 0.866 425 V CB 0.140 31.649 31.823 -0.523 0.000 1.019 425 V HN 0.055 nan 8.190 nan 0.000 0.468 426 Y N 4.231 124.304 120.300 -0.379 0.000 2.453 426 Y HA 0.702 5.252 4.550 -0.000 0.000 0.326 426 Y C -0.164 175.361 175.900 -0.625 0.000 1.186 426 Y CA -0.942 56.961 58.100 -0.329 0.000 1.200 426 Y CB 1.467 39.821 38.460 -0.177 0.000 1.247 426 Y HN 0.473 nan 8.280 nan 0.000 0.482 427 F N -0.044 119.918 119.950 0.020 0.000 2.563 427 F HA 0.637 5.164 4.527 -0.000 0.000 0.316 427 F C 0.223 175.978 175.800 -0.076 0.000 1.076 427 F CA -0.602 57.375 58.000 -0.038 0.000 0.921 427 F CB 2.468 41.402 39.000 -0.111 0.000 1.209 427 F HN 0.364 nan 8.300 nan 0.000 0.462 428 T N 0.436 115.035 114.554 0.075 0.000 2.754 428 T HA 0.820 5.170 4.350 -0.000 0.000 0.296 428 T C -0.704 173.918 174.700 -0.129 0.000 1.205 428 T CA 0.042 62.112 62.100 -0.050 0.000 1.009 428 T CB 1.617 70.461 68.868 -0.040 0.000 1.368 428 T HN 1.401 nan 8.240 nan 0.000 0.509 429 G N 1.225 109.931 108.800 -0.156 0.000 2.355 429 G HA2 0.136 4.096 3.960 -0.000 0.000 0.619 429 G HA3 0.136 4.096 3.960 -0.000 0.000 0.619 429 G C 0.207 175.007 174.900 -0.166 0.000 1.337 429 G CA 0.780 45.808 45.100 -0.120 0.000 0.993 429 G HN 1.016 nan 8.290 nan 0.000 0.599 430 E N -0.474 119.757 120.200 0.051 0.000 2.130 430 E HA -0.229 4.121 4.350 -0.000 0.000 0.196 430 E C 1.731 178.405 176.600 0.124 0.000 0.998 430 E CA 2.667 59.135 56.400 0.114 0.000 0.806 430 E CB -0.811 28.979 29.700 0.150 0.000 0.738 430 E HN 1.096 nan 8.360 nan 0.000 0.459 431 H N -0.743 118.380 119.070 0.088 0.000 2.563 431 H HA 0.161 4.717 4.556 -0.000 0.000 0.272 431 H C 1.226 176.471 175.328 -0.139 0.000 1.005 431 H CA 1.158 57.230 56.048 0.039 0.000 1.171 431 H CB -0.218 29.538 29.762 -0.011 0.000 1.351 431 H HN 0.356 nan 8.280 nan 0.000 0.602 432 T N -3.226 111.074 114.554 -0.423 0.000 3.044 432 T HA 0.109 4.458 4.350 -0.000 0.000 0.260 432 T C 0.843 175.422 174.700 -0.202 0.000 1.019 432 T CA -0.162 61.678 62.100 -0.434 0.000 0.921 432 T CB -0.074 68.552 68.868 -0.402 0.000 1.053 432 T HN 0.229 nan 8.240 nan 0.000 0.533 433 S N 1.542 117.241 115.700 -0.001 0.000 2.516 433 S HA 0.100 4.570 4.470 -0.000 0.000 0.282 433 S C 1.310 175.992 174.600 0.137 0.000 1.286 433 S CA -0.260 58.004 58.200 0.107 0.000 1.066 433 S CB 0.841 64.181 63.200 0.234 0.000 0.884 433 S HN 0.605 nan 8.310 nan 0.000 0.491 434 E N 3.314 123.506 120.200 -0.012 0.000 2.058 434 E HA -0.204 4.146 4.350 -0.000 0.000 0.194 434 E C 0.674 177.037 176.600 -0.395 0.000 0.997 434 E CA 1.560 57.849 56.400 -0.184 0.000 0.801 434 E CB -0.012 29.453 29.700 -0.392 0.000 0.746 434 E HN 0.874 nan 8.360 nan 0.000 0.450 435 H N -2.567 116.405 119.070 -0.163 0.000 3.233 435 H HA 0.124 4.680 4.556 -0.000 0.000 0.263 435 H C -0.374 174.656 175.328 -0.495 0.000 1.168 435 H CA 0.057 55.856 56.048 -0.416 0.000 1.159 435 H CB 0.576 29.861 29.762 -0.795 0.000 1.593 435 H HN 0.207 nan 8.280 nan 0.000 0.580 436 Y N 1.474 121.960 120.300 0.311 0.000 2.634 436 Y HA 0.114 4.664 4.550 -0.000 0.000 0.292 436 Y C 0.418 176.523 175.900 0.342 0.000 0.996 436 Y CA -1.170 57.123 58.100 0.322 0.000 1.165 436 Y CB -0.193 38.476 38.460 0.349 0.000 1.194 436 Y HN 0.123 nan 8.280 nan 0.000 0.585 437 N N -0.088 118.857 118.700 0.408 0.000 2.395 437 N HA 0.320 5.060 4.740 -0.000 0.000 0.246 437 N C 1.282 176.973 175.510 0.301 0.000 1.246 437 N CA 0.996 54.266 53.050 0.366 0.000 0.879 437 N CB 0.742 39.470 38.487 0.402 0.000 1.098 437 N HN 0.474 nan 8.380 nan 0.000 0.444 438 G N -0.895 107.978 108.800 0.122 0.000 2.175 438 G HA2 -0.257 3.703 3.960 -0.000 0.000 0.244 438 G HA3 -0.257 3.703 3.960 -0.000 0.000 0.244 438 G C -0.629 173.800 174.900 -0.786 0.000 0.982 438 G CA 0.307 45.256 45.100 -0.252 0.000 0.641 438 G HN 0.640 nan 8.290 nan 0.000 0.527 439 Y N -1.700 118.499 120.300 -0.170 0.000 2.633 439 Y HA 0.590 5.140 4.550 -0.000 0.000 0.339 439 Y C 1.503 177.242 175.900 -0.267 0.000 1.045 439 Y CA -0.444 57.458 58.100 -0.332 0.000 1.098 439 Y CB 1.434 39.463 38.460 -0.717 0.000 1.296 439 Y HN -0.090 nan 8.280 nan 0.000 0.494 440 V N 0.979 120.866 119.914 -0.045 0.000 2.295 440 V HA -0.291 3.829 4.120 -0.000 0.000 0.246 440 V C 2.274 178.401 176.094 0.054 0.000 1.049 440 V CA 2.469 64.763 62.300 -0.011 0.000 1.024 440 V CB -0.754 31.060 31.823 -0.016 0.000 0.648 440 V HN 0.917 nan 8.190 nan 0.000 0.447 441 H N -0.076 119.078 119.070 0.140 0.000 2.457 441 H HA -0.005 4.551 4.556 -0.000 0.000 0.294 441 H C 2.336 177.801 175.328 0.228 0.000 1.064 441 H CA 1.466 57.577 56.048 0.105 0.000 1.330 441 H CB -0.771 28.924 29.762 -0.112 0.000 1.395 441 H HN 0.405 nan 8.280 nan 0.000 0.541 442 G N 1.247 110.026 108.800 -0.036 0.000 2.414 442 G HA2 -0.185 3.775 3.960 -0.000 0.000 0.215 442 G HA3 -0.185 3.775 3.960 -0.000 0.000 0.215 442 G C 2.072 177.083 174.900 0.187 0.000 1.188 442 G CA 1.565 46.796 45.100 0.217 0.000 0.783 442 G HN 0.604 nan 8.290 nan 0.000 0.537 443 A N -0.002 122.894 122.820 0.127 0.000 1.908 443 A HA -0.103 4.217 4.320 -0.000 0.000 0.218 443 A C 2.210 179.878 177.584 0.141 0.000 1.181 443 A CA 1.893 53.997 52.037 0.112 0.000 0.627 443 A CB -0.765 18.294 19.000 0.097 0.000 0.818 443 A HN 0.517 nan 8.150 nan 0.000 0.445 444 Y N 0.460 120.803 120.300 0.071 0.000 2.070 444 Y HA -0.187 4.363 4.550 -0.000 0.000 0.280 444 Y C 1.975 177.928 175.900 0.088 0.000 1.148 444 Y CA 2.118 60.264 58.100 0.077 0.000 1.125 444 Y CB -0.382 38.130 38.460 0.086 0.000 0.975 444 Y HN 0.205 nan 8.280 nan 0.000 0.492 445 L N -0.019 121.275 121.223 0.118 0.000 2.201 445 L HA -0.174 4.166 4.340 -0.000 0.000 0.212 445 L C 2.736 179.604 176.870 -0.003 0.000 1.105 445 L CA 1.315 56.177 54.840 0.036 0.000 0.775 445 L CB -0.808 41.427 42.059 0.293 0.000 0.913 445 L HN 0.404 nan 8.230 nan 0.000 0.440 446 S N 0.009 115.730 115.700 0.035 0.000 2.368 446 S HA -0.125 4.345 4.470 -0.000 0.000 0.225 446 S C 2.117 176.679 174.600 -0.064 0.000 1.030 446 S CA 1.031 59.226 58.200 -0.008 0.000 0.999 446 S CB -0.952 62.240 63.200 -0.013 0.000 0.844 446 S HN 0.407 nan 8.310 nan 0.000 0.459 447 G N 1.960 110.706 108.800 -0.089 0.000 2.459 447 G HA2 -0.098 3.861 3.960 -0.000 0.000 0.217 447 G HA3 -0.098 3.861 3.960 -0.000 0.000 0.217 447 G C 1.457 176.264 174.900 -0.155 0.000 1.183 447 G CA 1.052 46.082 45.100 -0.117 0.000 0.776 447 G HN 0.570 nan 8.290 nan 0.000 0.552 448 I N 0.907 121.349 120.570 -0.214 0.000 2.226 448 I HA -0.132 4.038 4.170 -0.000 0.000 0.245 448 I C 2.306 178.352 176.117 -0.118 0.000 1.100 448 I CA 1.179 62.365 61.300 -0.191 0.000 1.374 448 I CB -0.173 37.686 38.000 -0.235 0.000 1.057 448 I HN 0.051 nan 8.210 nan 0.000 0.413 449 D N 0.453 120.804 120.400 -0.083 0.000 2.097 449 D HA -0.126 4.514 4.640 -0.000 0.000 0.197 449 D C 2.420 178.686 176.300 -0.058 0.000 0.984 449 D CA 1.356 55.325 54.000 -0.051 0.000 0.826 449 D CB -0.220 40.566 40.800 -0.025 0.000 0.973 449 D HN 0.158 nan 8.370 nan 0.000 0.460 450 S N 0.541 116.204 115.700 -0.062 0.000 2.368 450 S HA -0.143 4.327 4.470 -0.000 0.000 0.225 450 S C 2.105 176.650 174.600 -0.092 0.000 1.030 450 S CA 1.161 59.336 58.200 -0.042 0.000 0.999 450 S CB -0.259 62.922 63.200 -0.033 0.000 0.844 450 S HN 0.368 nan 8.310 nan 0.000 0.459 451 A N 1.557 124.297 122.820 -0.132 0.000 1.933 451 A HA -0.139 4.181 4.320 -0.000 0.000 0.218 451 A C 1.987 179.459 177.584 -0.186 0.000 1.175 451 A CA 1.388 53.313 52.037 -0.187 0.000 0.628 451 A CB -0.490 18.400 19.000 -0.182 0.000 0.814 451 A HN 0.556 nan 8.150 nan 0.000 0.444 452 E N -0.602 119.519 120.200 -0.132 0.000 2.204 452 E HA -0.095 4.255 4.350 -0.000 0.000 0.194 452 E C 1.764 178.300 176.600 -0.106 0.000 0.989 452 E CA 0.872 57.205 56.400 -0.113 0.000 0.824 452 E CB -0.221 29.434 29.700 -0.075 0.000 0.756 452 E HN 0.701 nan 8.360 nan 0.000 0.477 453 I N 0.778 121.298 120.570 -0.082 0.000 2.252 453 I HA -0.239 3.930 4.170 -0.000 0.000 0.245 453 I C 2.317 178.374 176.117 -0.100 0.000 1.102 453 I CA 0.514 61.798 61.300 -0.027 0.000 1.385 453 I CB -0.070 37.968 38.000 0.063 0.000 1.064 453 I HN 0.144 nan 8.210 nan 0.000 0.414 454 L N 0.839 121.866 121.223 -0.327 0.000 2.046 454 L HA -0.164 4.176 4.340 -0.000 0.000 0.208 454 L C 2.260 178.819 176.870 -0.517 0.000 1.077 454 L CA 1.834 56.199 54.840 -0.792 0.000 0.747 454 L CB -0.569 40.870 42.059 -1.034 0.000 0.896 454 L HN 0.150 nan 8.230 nan 0.000 0.432 455 I N -0.093 120.272 120.570 -0.341 0.000 2.179 455 I HA -0.319 3.851 4.170 -0.000 0.000 0.242 455 I C 2.141 178.159 176.117 -0.164 0.000 1.088 455 I CA 1.285 62.440 61.300 -0.241 0.000 1.357 455 I CB -0.491 37.404 38.000 -0.176 0.000 1.051 455 I HN 0.366 nan 8.210 nan 0.000 0.409 456 N N 0.103 118.730 118.700 -0.122 0.000 2.120 456 N HA -0.207 4.533 4.740 -0.000 0.000 0.188 456 N C 1.911 177.390 175.510 -0.053 0.000 1.024 456 N CA 1.473 54.481 53.050 -0.069 0.000 0.852 456 N CB -0.825 37.637 38.487 -0.041 0.000 1.003 456 N HN 0.427 nan 8.380 nan 0.000 0.424 457 c N 0.768 119.333 118.600 -0.057 0.000 2.453 457 c HA 0.129 4.699 4.570 -0.000 0.000 0.277 457 c C 2.764 176.843 174.090 -0.019 0.000 1.262 457 c CA 1.169 57.498 56.329 -0.000 0.000 1.718 457 c CB -1.188 41.371 42.510 0.082 0.000 2.031 457 c HN 0.470 nan 8.230 nan 0.000 0.480 458 A N -0.676 122.055 122.820 -0.147 0.000 1.898 458 A HA -0.154 4.166 4.320 -0.000 0.000 0.216 458 A C 2.137 179.704 177.584 -0.028 0.000 1.181 458 A CA 1.652 53.633 52.037 -0.093 0.000 0.620 458 A CB -0.559 18.233 19.000 -0.346 0.000 0.819 458 A HN 0.825 nan 8.150 nan 0.000 0.442 459 Q N -1.054 118.704 119.800 -0.070 0.000 2.297 459 Q HA 0.060 4.400 4.340 -0.000 0.000 0.203 459 Q C 1.254 177.242 176.000 -0.021 0.000 0.931 459 Q CA 0.897 56.676 55.803 -0.040 0.000 0.885 459 Q CB 0.140 28.841 28.738 -0.061 0.000 0.991 459 Q HN 0.598 nan 8.270 nan 0.000 0.498 460 K N 0.030 120.417 120.400 -0.023 0.000 2.355 460 K HA 0.103 4.423 4.320 -0.000 0.000 0.198 460 K C -0.167 176.436 176.600 0.005 0.000 1.039 460 K CA -0.113 56.169 56.287 -0.009 0.000 1.075 460 K CB 0.811 33.302 32.500 -0.015 0.000 0.870 460 K HN -0.145 nan 8.250 nan 0.000 0.540 461 K N 0.424 120.832 120.400 0.013 0.000 3.069 461 K HA -0.188 4.132 4.320 -0.000 0.000 0.267 461 K C -0.476 176.140 176.600 0.027 0.000 1.082 461 K CA 1.117 57.422 56.287 0.031 0.000 0.782 461 K CB -1.976 30.545 32.500 0.034 0.000 1.230 461 K HN 0.340 nan 8.250 nan 0.000 0.488 462 M N 0.566 120.177 119.600 0.018 0.000 2.158 462 M HA 0.149 4.629 4.480 -0.000 0.000 0.326 462 M C -0.039 176.275 176.300 0.023 0.000 1.014 462 M CA -0.400 54.909 55.300 0.016 0.000 0.961 462 M CB 0.854 33.458 32.600 0.006 0.000 1.327 462 M HN 0.101 nan 8.290 nan 0.000 0.393 463 c N 0.000 118.623 118.600 0.038 0.000 2.653 463 c HA 0.000 4.570 4.570 -0.000 0.000 0.325 463 c CA 0.000 56.362 56.329 0.054 0.000 1.963 463 c CB 0.000 42.559 42.510 0.081 0.000 2.134 463 c HN 0.000 nan 8.230 nan 0.000 0.568