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 1h81_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 0.000 177.342 177.300 0.070 0.000 1.155 5 P CA 0.000 63.151 63.100 0.086 0.000 0.800 5 P CB 0.000 31.803 31.700 0.171 0.000 0.726 6 R N 0.755 121.306 120.500 0.084 0.000 2.349 6 R HA 0.647 4.987 4.340 -0.000 0.000 0.299 6 R C -1.012 175.343 176.300 0.092 0.000 1.027 6 R CA -0.416 55.720 56.100 0.059 0.000 0.958 6 R CB 0.850 31.176 30.300 0.044 0.000 1.047 6 R HN 0.265 nan 8.270 nan 0.000 0.468 7 V N 6.356 126.299 119.914 0.047 0.000 2.638 7 V HA 0.400 4.520 4.120 -0.000 0.000 0.306 7 V C -0.190 175.902 176.094 -0.002 0.000 1.052 7 V CA -0.769 61.559 62.300 0.046 0.000 0.885 7 V CB 1.964 33.776 31.823 -0.018 0.000 0.999 7 V HN 0.720 nan 8.190 nan 0.000 0.424 8 I N 4.089 124.657 120.570 -0.003 0.000 2.359 8 I HA 0.475 4.645 4.170 -0.000 0.000 0.294 8 I C -0.549 175.532 176.117 -0.059 0.000 0.987 8 I CA -0.749 60.519 61.300 -0.053 0.000 1.225 8 I CB 1.923 39.885 38.000 -0.062 0.000 1.366 8 I HN 0.278 nan 8.210 nan 0.000 0.466 9 V N 7.200 127.067 119.914 -0.079 0.000 2.384 9 V HA 0.274 4.394 4.120 -0.000 0.000 0.287 9 V C -0.005 176.037 176.094 -0.087 0.000 1.020 9 V CA -0.709 61.547 62.300 -0.072 0.000 0.850 9 V CB 1.797 33.584 31.823 -0.060 0.000 0.987 9 V HN 0.370 nan 8.190 nan 0.000 0.436 10 V N 4.546 124.415 119.914 -0.076 0.000 2.385 10 V HA 0.815 4.935 4.120 -0.000 0.000 0.269 10 V C 0.689 176.741 176.094 -0.070 0.000 1.043 10 V CA 0.429 62.678 62.300 -0.086 0.000 0.906 10 V CB 0.496 32.276 31.823 -0.071 0.000 0.995 10 V HN 1.297 nan 8.190 nan 0.000 0.467 11 G N 4.199 112.937 108.800 -0.103 0.000 3.055 11 G HA2 0.261 4.221 3.960 -0.000 0.000 0.686 11 G HA3 0.261 4.221 3.960 -0.000 0.000 0.686 11 G C -0.123 174.735 174.900 -0.069 0.000 1.087 11 G CA -0.298 44.744 45.100 -0.097 0.000 0.779 11 G HN 1.539 nan 8.290 nan 0.000 0.599 12 A N 1.721 124.491 122.820 -0.083 0.000 3.003 12 A HA 0.773 5.093 4.320 -0.000 0.000 0.301 12 A C 1.356 178.920 177.584 -0.033 0.000 1.280 12 A CA 1.122 53.118 52.037 -0.068 0.000 0.973 12 A CB -0.257 18.677 19.000 -0.110 0.000 1.110 12 A HN 2.142 nan 8.150 nan 0.000 0.590 13 G N -1.348 107.461 108.800 0.016 0.000 2.525 13 G HA2 0.371 4.331 3.960 -0.000 0.000 0.287 13 G HA3 0.371 4.331 3.960 -0.000 0.000 0.287 13 G C 0.887 175.822 174.900 0.058 0.000 1.350 13 G CA 0.106 45.248 45.100 0.069 0.000 1.039 13 G HN 0.303 nan 8.290 nan 0.000 0.513 14 M N 0.662 120.307 119.600 0.075 0.000 2.082 14 M HA -0.175 4.305 4.480 -0.000 0.000 0.258 14 M C 2.647 179.001 176.300 0.090 0.000 1.069 14 M CA 2.905 58.261 55.300 0.093 0.000 1.102 14 M CB -0.673 31.986 32.600 0.099 0.000 1.336 14 M HN 0.565 nan 8.290 nan 0.000 0.404 15 S N -0.959 114.781 115.700 0.067 0.000 2.383 15 S HA 0.030 4.500 4.470 -0.000 0.000 0.227 15 S C 2.179 176.780 174.600 0.003 0.000 1.026 15 S CA 0.931 59.147 58.200 0.027 0.000 0.981 15 S CB -1.714 61.498 63.200 0.019 0.000 0.818 15 S HN 0.617 nan 8.310 nan 0.000 0.472 16 G N 2.189 110.999 108.800 0.016 0.000 2.404 16 G HA2 -0.042 3.918 3.960 -0.000 0.000 0.215 16 G HA3 -0.042 3.918 3.960 -0.000 0.000 0.215 16 G C 1.381 176.290 174.900 0.015 0.000 1.174 16 G CA 0.907 46.007 45.100 -0.001 0.000 0.780 16 G HN 0.458 nan 8.290 nan 0.000 0.537 17 I N 1.281 121.881 120.570 0.049 0.000 2.315 17 I HA -0.090 4.080 4.170 -0.000 0.000 0.248 17 I C 2.906 179.090 176.117 0.112 0.000 1.117 17 I CA 1.413 62.791 61.300 0.131 0.000 1.404 17 I CB -0.914 37.149 38.000 0.105 0.000 1.071 17 I HN 0.262 nan 8.210 nan 0.000 0.419 18 S N 0.718 116.445 115.700 0.044 0.000 2.382 18 S HA -0.106 4.364 4.470 -0.000 0.000 0.228 18 S C 2.220 176.727 174.600 -0.155 0.000 1.027 18 S CA 1.415 59.586 58.200 -0.050 0.000 0.991 18 S CB -0.051 63.078 63.200 -0.120 0.000 0.823 18 S HN 0.451 nan 8.310 nan 0.000 0.469 19 A N 1.358 124.102 122.820 -0.127 0.000 1.872 19 A HA 0.308 4.628 4.320 -0.000 0.000 0.214 19 A C 2.493 179.954 177.584 -0.204 0.000 1.187 19 A CA 1.670 53.612 52.037 -0.159 0.000 0.614 19 A CB -1.443 17.485 19.000 -0.120 0.000 0.826 19 A HN 0.753 nan 8.150 nan 0.000 0.442 20 A N 0.044 122.761 122.820 -0.172 0.000 1.908 20 A HA -0.210 4.110 4.320 -0.000 0.000 0.218 20 A C 2.129 179.346 177.584 -0.611 0.000 1.181 20 A CA 2.168 54.068 52.037 -0.229 0.000 0.627 20 A CB -0.504 18.498 19.000 0.003 0.000 0.818 20 A HN 0.586 nan 8.150 nan 0.000 0.445 21 K N -0.723 119.178 120.400 -0.831 0.000 2.063 21 K HA -0.227 4.093 4.320 -0.000 0.000 0.208 21 K C 2.246 178.512 176.600 -0.557 0.000 1.048 21 K CA 1.752 57.343 56.287 -1.158 0.000 0.928 21 K CB -0.144 32.033 32.500 -0.539 0.000 0.713 21 K HN 0.273 nan 8.250 nan 0.000 0.442 22 R N 0.458 120.743 120.500 -0.357 0.000 2.115 22 R HA -0.041 4.299 4.340 -0.000 0.000 0.230 22 R C 1.954 178.116 176.300 -0.230 0.000 1.111 22 R CA 1.001 56.953 56.100 -0.246 0.000 0.976 22 R CB -0.542 29.633 30.300 -0.209 0.000 0.870 22 R HN 0.201 nan 8.270 nan 0.000 0.445 23 L N -0.055 121.013 121.223 -0.258 0.000 2.027 23 L HA -0.007 4.333 4.340 -0.000 0.000 0.206 23 L C 2.331 179.083 176.870 -0.197 0.000 1.074 23 L CA 2.081 56.791 54.840 -0.217 0.000 0.745 23 L CB -1.375 40.557 42.059 -0.212 0.000 0.898 23 L HN 0.260 nan 8.230 nan 0.000 0.433 24 S N -0.573 114.975 115.700 -0.253 0.000 2.365 24 S HA -0.240 4.230 4.470 -0.000 0.000 0.225 24 S C 1.822 176.335 174.600 -0.145 0.000 1.039 24 S CA 1.634 59.720 58.200 -0.190 0.000 1.033 24 S CB -0.141 62.888 63.200 -0.285 0.000 0.887 24 S HN 0.534 nan 8.310 nan 0.000 0.447 25 E N 0.438 120.533 120.200 -0.174 0.000 2.265 25 E HA -0.038 4.312 4.350 -0.000 0.000 0.196 25 E C 1.816 178.360 176.600 -0.093 0.000 0.996 25 E CA 0.864 57.195 56.400 -0.114 0.000 0.832 25 E CB -0.177 29.455 29.700 -0.114 0.000 0.756 25 E HN 0.604 nan 8.360 nan 0.000 0.491 26 A N 0.056 122.810 122.820 -0.110 0.000 2.251 26 A HA 0.332 4.652 4.320 -0.000 0.000 0.209 26 A C 1.651 179.188 177.584 -0.078 0.000 1.187 26 A CA 0.647 52.628 52.037 -0.093 0.000 0.823 26 A CB -0.130 18.802 19.000 -0.114 0.000 0.846 26 A HN 0.306 nan 8.150 nan 0.000 0.486 27 G N -0.603 108.152 108.800 -0.075 0.000 2.176 27 G HA2 -0.189 3.771 3.960 -0.000 0.000 0.253 27 G HA3 -0.189 3.771 3.960 -0.000 0.000 0.253 27 G C 0.085 174.950 174.900 -0.058 0.000 0.979 27 G CA 0.137 45.204 45.100 -0.056 0.000 0.641 27 G HN 0.491 nan 8.290 nan 0.000 0.530 28 I N 2.857 123.378 120.570 -0.082 0.000 2.308 28 I HA 0.278 4.448 4.170 -0.000 0.000 0.293 28 I C 1.504 177.582 176.117 -0.065 0.000 1.078 28 I CA 0.820 62.076 61.300 -0.074 0.000 1.292 28 I CB 0.524 38.459 38.000 -0.107 0.000 1.423 28 I HN 0.253 nan 8.210 nan 0.000 0.493 29 T N -0.641 113.893 114.554 -0.034 0.000 3.010 29 T HA 0.036 4.386 4.350 -0.000 0.000 0.257 29 T C 0.633 175.335 174.700 0.002 0.000 1.020 29 T CA -0.199 61.894 62.100 -0.011 0.000 0.938 29 T CB 0.047 68.916 68.868 0.002 0.000 1.049 29 T HN 0.376 nan 8.240 nan 0.000 0.522 30 D N 1.978 122.376 120.400 -0.003 0.000 2.608 30 D HA 0.297 4.937 4.640 -0.000 0.000 0.224 30 D C -0.348 175.953 176.300 0.002 0.000 1.123 30 D CA -0.261 53.742 54.000 0.006 0.000 1.030 30 D CB -0.737 40.070 40.800 0.011 0.000 1.093 30 D HN 0.472 nan 8.370 nan 0.000 0.497 31 L N 1.718 122.943 121.223 0.002 0.000 2.322 31 L HA 0.593 4.933 4.340 -0.000 0.000 0.269 31 L C -0.631 176.229 176.870 -0.017 0.000 1.012 31 L CA -1.355 53.480 54.840 -0.008 0.000 0.815 31 L CB 1.922 43.985 42.059 0.006 0.000 1.295 31 L HN 0.086 nan 8.230 nan 0.000 0.438 32 L N 2.665 123.859 121.223 -0.048 0.000 2.491 32 L HA 0.537 4.877 4.340 -0.000 0.000 0.267 32 L C -1.180 175.615 176.870 -0.125 0.000 0.971 32 L CA 0.064 54.846 54.840 -0.098 0.000 0.857 32 L CB 1.401 43.374 42.059 -0.143 0.000 1.226 32 L HN 0.367 nan 8.230 nan 0.000 0.408 33 I N 6.154 126.657 120.570 -0.112 0.000 2.312 33 I HA 0.348 4.518 4.170 -0.000 0.000 0.290 33 I C -0.663 175.356 176.117 -0.163 0.000 1.008 33 I CA -0.410 60.824 61.300 -0.111 0.000 1.226 33 I CB 1.127 39.087 38.000 -0.065 0.000 1.371 33 I HN 0.465 nan 8.210 nan 0.000 0.468 34 L N 6.412 127.520 121.223 -0.190 0.000 2.280 34 L HA 0.446 4.786 4.340 -0.000 0.000 0.287 34 L C -0.275 176.480 176.870 -0.192 0.000 1.023 34 L CA -0.510 54.199 54.840 -0.219 0.000 0.819 34 L CB 1.407 43.302 42.059 -0.273 0.000 1.212 34 L HN 0.513 nan 8.230 nan 0.000 0.420 35 E N 2.341 122.422 120.200 -0.199 0.000 2.158 35 E HA 0.510 4.860 4.350 -0.000 0.000 0.271 35 E C 0.306 176.719 176.600 -0.311 0.000 0.911 35 E CA -0.305 55.952 56.400 -0.239 0.000 0.767 35 E CB 2.080 31.653 29.700 -0.211 0.000 1.120 35 E HN 0.557 nan 8.360 nan 0.000 0.405 36 A N 3.527 126.066 122.820 -0.469 0.000 1.898 36 A HA -0.013 4.307 4.320 -0.000 0.000 0.216 36 A C 1.335 178.548 177.584 -0.619 0.000 1.181 36 A CA 1.731 53.336 52.037 -0.721 0.000 0.620 36 A CB -1.051 17.046 19.000 -1.505 0.000 0.819 36 A HN 0.741 nan 8.150 nan 0.000 0.442 37 T N -1.666 112.570 114.554 -0.529 0.000 2.771 37 T HA 0.323 4.673 4.350 -0.000 0.000 0.290 37 T C 0.358 174.930 174.700 -0.214 0.000 1.005 37 T CA 0.246 62.160 62.100 -0.309 0.000 0.944 37 T CB 0.653 69.289 68.868 -0.387 0.000 1.147 37 T HN 0.342 nan 8.240 nan 0.000 0.534 38 D N -0.782 119.595 120.400 -0.039 0.000 2.336 38 D HA 0.080 4.720 4.640 -0.000 0.000 0.228 38 D C 0.608 176.989 176.300 0.136 0.000 1.120 38 D CA -0.251 53.785 54.000 0.060 0.000 0.839 38 D CB -0.590 40.294 40.800 0.138 0.000 0.932 38 D HN 0.846 nan 8.370 nan 0.000 0.509 39 H N -1.528 117.561 119.070 0.030 0.000 2.981 39 H HA 0.431 4.987 4.556 -0.000 0.000 0.327 39 H C -0.456 174.881 175.328 0.016 0.000 1.342 39 H CA -1.153 54.941 56.048 0.077 0.000 1.123 39 H CB 0.538 30.404 29.762 0.174 0.000 1.851 39 H HN 0.007 nan 8.280 nan 0.000 0.531 40 I N -2.888 117.714 120.570 0.054 0.000 3.062 40 I HA 0.715 4.885 4.170 -0.000 0.000 0.316 40 I C 1.096 177.255 176.117 0.070 0.000 1.041 40 I CA -0.185 61.055 61.300 -0.100 0.000 1.069 40 I CB 1.656 39.493 38.000 -0.272 0.000 1.300 40 I HN 0.929 nan 8.210 nan 0.000 0.518 41 G N 0.548 109.366 108.800 0.030 0.000 2.284 41 G HA2 -0.031 3.929 3.960 -0.000 0.000 0.216 41 G HA3 -0.031 3.929 3.960 -0.000 0.000 0.216 41 G C 1.002 176.026 174.900 0.207 0.000 1.009 41 G CA 0.168 45.355 45.100 0.145 0.000 0.625 41 G HN 2.020 nan 8.290 nan 0.000 0.501 42 G N 0.679 109.627 108.800 0.247 0.000 2.665 42 G HA2 -0.429 3.531 3.960 -0.000 0.000 0.326 42 G HA3 -0.429 3.531 3.960 -0.000 0.000 0.326 42 G C 1.013 176.105 174.900 0.320 0.000 1.231 42 G CA 1.636 46.965 45.100 0.381 0.000 0.992 42 G HN 1.212 nan 8.290 nan 0.000 0.549 43 R N 0.398 121.012 120.500 0.189 0.000 2.357 43 R HA 0.188 4.528 4.340 -0.000 0.000 0.202 43 R C 0.827 177.129 176.300 0.004 0.000 1.047 43 R CA 0.599 56.640 56.100 -0.098 0.000 1.034 43 R CB -0.155 30.003 30.300 -0.237 0.000 0.875 43 R HN 0.432 nan 8.270 nan 0.000 0.473 44 M N 0.276 119.949 119.600 0.122 0.000 2.055 44 M HA 0.203 4.683 4.480 -0.000 0.000 0.346 44 M C -1.044 175.450 176.300 0.323 0.000 1.074 44 M CA -0.377 54.983 55.300 0.100 0.000 1.009 44 M CB 1.395 33.955 32.600 -0.066 0.000 1.423 44 M HN -0.080 nan 8.290 nan 0.000 0.410 45 H N 2.839 122.039 119.070 0.217 0.000 3.099 45 H HA 0.359 4.915 4.556 -0.000 0.000 0.342 45 H C -1.457 173.970 175.328 0.166 0.000 1.054 45 H CA -0.947 55.226 56.048 0.209 0.000 1.328 45 H CB 1.426 31.354 29.762 0.276 0.000 1.876 45 H HN 0.628 nan 8.280 nan 0.000 0.495 46 K N 2.606 122.792 120.400 -0.356 0.000 2.132 46 K HA 0.734 5.054 4.320 -0.000 0.000 0.241 46 K C -0.815 175.543 176.600 -0.403 0.000 1.000 46 K CA -0.744 55.389 56.287 -0.256 0.000 0.911 46 K CB 2.115 34.526 32.500 -0.150 0.000 1.093 46 K HN 0.438 nan 8.250 nan 0.000 0.460 47 T N -0.333 114.073 114.554 -0.246 0.000 2.840 47 T HA 0.155 4.505 4.350 -0.000 0.000 0.317 47 T C -1.749 172.858 174.700 -0.155 0.000 1.401 47 T CA -0.900 61.079 62.100 -0.201 0.000 1.028 47 T CB 1.283 70.065 68.868 -0.145 0.000 1.317 47 T HN 0.740 nan 8.240 nan 0.000 0.495 48 N N 2.573 121.210 118.700 -0.105 0.000 2.458 48 N HA 0.358 5.098 4.740 -0.000 0.000 0.270 48 N C -1.499 173.996 175.510 -0.024 0.000 1.102 48 N CA -0.003 52.995 53.050 -0.088 0.000 0.967 48 N CB 0.465 38.906 38.487 -0.076 0.000 1.078 48 N HN 0.487 nan 8.380 nan 0.000 0.471 49 F N 3.411 123.215 119.950 -0.243 0.000 2.536 49 F HA 0.488 5.015 4.527 -0.000 0.000 0.322 49 F C 0.186 175.877 175.800 -0.182 0.000 1.144 49 F CA -0.426 57.443 58.000 -0.218 0.000 0.924 49 F CB 0.984 39.786 39.000 -0.330 0.000 1.181 49 F HN 0.643 nan 8.300 nan 0.000 0.438 50 A N 3.895 126.265 122.820 -0.749 0.000 2.791 50 A HA 0.165 4.485 4.320 -0.000 0.000 0.292 50 A C 1.542 178.949 177.584 -0.295 0.000 1.487 50 A CA 1.354 53.025 52.037 -0.610 0.000 0.760 50 A CB -2.253 16.294 19.000 -0.754 0.000 1.031 50 A HN 2.763 nan 8.150 nan 0.000 0.503 51 G N -1.888 106.784 108.800 -0.213 0.000 2.179 51 G HA2 -0.080 3.880 3.960 -0.000 0.000 0.257 51 G HA3 -0.080 3.880 3.960 -0.000 0.000 0.257 51 G C 0.359 175.186 174.900 -0.123 0.000 1.010 51 G CA 1.057 46.077 45.100 -0.134 0.000 0.736 51 G HN 2.626 nan 8.290 nan 0.000 0.513 52 I N -3.838 116.636 120.570 -0.161 0.000 3.006 52 I HA 0.656 4.826 4.170 -0.000 0.000 0.306 52 I C -1.330 174.668 176.117 -0.199 0.000 1.250 52 I CA -1.521 59.675 61.300 -0.173 0.000 0.996 52 I CB 1.912 39.754 38.000 -0.263 0.000 1.261 52 I HN -0.145 nan 8.210 nan 0.000 0.442 53 N N 3.714 122.307 118.700 -0.178 0.000 2.434 53 N HA 0.557 5.297 4.740 -0.000 0.000 0.272 53 N C -0.545 174.815 175.510 -0.250 0.000 1.040 53 N CA -0.225 52.722 53.050 -0.173 0.000 0.956 53 N CB 1.880 40.308 38.487 -0.098 0.000 1.108 53 N HN 0.574 nan 8.380 nan 0.000 0.481 54 V N -0.736 118.981 119.914 -0.328 0.000 2.960 54 V HA 0.565 4.685 4.120 -0.000 0.000 0.315 54 V C -0.006 175.952 176.094 -0.226 0.000 1.087 54 V CA -1.001 61.056 62.300 -0.405 0.000 0.982 54 V CB 2.290 33.520 31.823 -0.988 0.000 1.039 54 V HN 0.319 nan 8.190 nan 0.000 0.437 55 E N 2.298 122.484 120.200 -0.023 0.000 2.180 55 E HA 0.331 4.681 4.350 -0.000 0.000 0.283 55 E C 0.626 177.389 176.600 0.272 0.000 1.061 55 E CA -0.036 56.438 56.400 0.124 0.000 0.861 55 E CB 1.664 31.466 29.700 0.169 0.000 1.056 55 E HN 0.715 nan 8.360 nan 0.000 0.407 56 L N 1.595 122.993 121.223 0.291 0.000 2.156 56 L HA -0.014 4.326 4.340 -0.000 0.000 0.208 56 L C 1.500 178.830 176.870 0.766 0.000 1.095 56 L CA 1.181 56.323 54.840 0.504 0.000 0.770 56 L CB -0.090 42.243 42.059 0.457 0.000 0.914 56 L HN 0.490 nan 8.230 nan 0.000 0.439 57 G N -0.948 108.197 108.800 0.575 0.000 3.310 57 G HA2 0.559 4.519 3.960 -0.000 0.000 0.176 57 G HA3 0.559 4.519 3.960 -0.000 0.000 0.176 57 G C -0.341 174.680 174.900 0.202 0.000 1.307 57 G CA 0.124 45.367 45.100 0.238 0.000 0.935 57 G HN 0.183 nan 8.290 nan 0.000 0.628 58 A N -0.754 122.118 122.820 0.086 0.000 2.555 58 A HA 0.328 4.648 4.320 -0.000 0.000 0.233 58 A C 0.632 178.434 177.584 0.364 0.000 1.060 58 A CA 1.063 53.198 52.037 0.163 0.000 0.759 58 A CB -0.001 18.994 19.000 -0.009 0.000 0.995 58 A HN 0.739 nan 8.150 nan 0.000 0.506 59 N N -0.557 118.377 118.700 0.389 0.000 2.104 59 N HA 0.131 4.871 4.740 -0.000 0.000 0.227 59 N C -0.630 174.689 175.510 -0.318 0.000 1.321 59 N CA -0.278 52.737 53.050 -0.058 0.000 0.877 59 N CB 0.367 38.587 38.487 -0.446 0.000 1.117 59 N HN 0.758 nan 8.380 nan 0.000 0.486 60 W N 1.334 122.694 121.300 0.101 0.000 2.799 60 W HA 0.544 5.204 4.660 -0.000 0.000 0.349 60 W C -0.754 175.884 176.519 0.198 0.000 1.100 60 W CA -0.594 56.803 57.345 0.087 0.000 1.174 60 W CB 1.433 31.015 29.460 0.203 0.000 1.427 60 W HN -0.426 nan 8.180 nan 0.000 0.547 61 V N 2.476 122.627 119.914 0.394 0.000 2.364 61 V HA 0.157 4.277 4.120 -0.000 0.000 0.272 61 V C 0.022 176.316 176.094 0.332 0.000 1.036 61 V CA -0.482 62.039 62.300 0.369 0.000 0.880 61 V CB 1.007 33.000 31.823 0.285 0.000 0.991 61 V HN 0.349 nan 8.190 nan 0.000 0.460 62 E N 3.350 123.730 120.200 0.300 0.000 2.166 62 E HA 0.605 4.955 4.350 -0.000 0.000 0.275 62 E C 0.406 176.977 176.600 -0.049 0.000 0.941 62 E CA -0.316 56.199 56.400 0.192 0.000 0.784 62 E CB 1.974 31.760 29.700 0.144 0.000 1.115 62 E HN 0.977 nan 8.360 nan 0.000 0.399 63 G N 1.357 110.196 108.800 0.064 0.000 2.894 63 G HA2 -0.107 3.853 3.960 -0.000 0.000 0.263 63 G HA3 -0.107 3.853 3.960 -0.000 0.000 0.263 63 G C -0.679 174.187 174.900 -0.057 0.000 1.013 63 G CA -0.527 44.577 45.100 0.006 0.000 1.226 63 G HN 0.325 nan 8.290 nan 0.000 0.563 64 V N 2.515 122.414 119.914 -0.026 0.000 2.971 64 V HA 0.736 4.856 4.120 -0.000 0.000 0.309 64 V C 0.646 176.703 176.094 -0.062 0.000 1.130 64 V CA -0.331 61.833 62.300 -0.227 0.000 0.964 64 V CB 2.037 33.522 31.823 -0.563 0.000 1.029 64 V HN 0.970 nan 8.190 nan 0.000 0.427 65 N N 0.761 119.409 118.700 -0.086 0.000 2.901 65 N HA -0.130 4.609 4.740 -0.000 0.000 0.248 65 N C 0.241 175.779 175.510 0.046 0.000 1.044 65 N CA 1.221 54.280 53.050 0.015 0.000 0.847 65 N CB -1.036 37.489 38.487 0.062 0.000 1.127 65 N HN 1.063 nan 8.380 nan 0.000 0.562 66 G N -0.802 108.033 108.800 0.059 0.000 2.671 66 G HA2 0.563 4.523 3.960 -0.000 0.000 0.275 66 G HA3 0.563 4.523 3.960 -0.000 0.000 0.275 66 G C 1.091 176.034 174.900 0.072 0.000 1.368 66 G CA 0.037 45.180 45.100 0.071 0.000 1.044 66 G HN 0.128 nan 8.290 nan 0.000 0.543 67 G N -1.458 107.378 108.800 0.060 0.000 2.559 67 G HA2 0.120 4.080 3.960 -0.000 0.000 0.216 67 G HA3 0.120 4.080 3.960 -0.000 0.000 0.216 67 G C 0.687 175.635 174.900 0.080 0.000 1.126 67 G CA 0.683 45.815 45.100 0.053 0.000 0.778 67 G HN 0.481 nan 8.290 nan 0.000 0.543 68 K N -0.774 119.711 120.400 0.141 0.000 2.469 68 K HA 0.538 4.858 4.320 -0.000 0.000 0.254 68 K C -1.093 175.669 176.600 0.269 0.000 0.939 68 K CA -1.067 55.347 56.287 0.212 0.000 0.812 68 K CB 1.920 34.575 32.500 0.258 0.000 1.301 68 K HN -0.006 nan 8.250 nan 0.000 0.433 69 M N 3.473 123.159 119.600 0.142 0.000 2.146 69 M HA 0.203 4.683 4.480 -0.000 0.000 0.352 69 M C -0.485 175.612 176.300 -0.338 0.000 1.343 69 M CA -0.152 55.140 55.300 -0.014 0.000 1.115 69 M CB 0.456 33.054 32.600 -0.002 0.000 1.657 69 M HN 0.424 nan 8.290 nan 0.000 0.471 70 N N 7.278 125.592 118.700 -0.644 0.000 2.452 70 N HA 0.152 4.892 4.740 -0.000 0.000 0.266 70 N C -1.991 173.171 175.510 -0.579 0.000 1.175 70 N CA -1.550 50.712 53.050 -1.313 0.000 0.945 70 N CB 1.012 38.870 38.487 -1.049 0.000 1.063 70 N HN 0.461 nan 8.380 nan 0.000 0.472 71 P HA -0.165 nan 4.420 nan 0.000 0.218 71 P C 1.333 178.441 177.300 -0.320 0.000 1.146 71 P CA 0.928 63.857 63.100 -0.285 0.000 0.813 71 P CB 0.410 32.005 31.700 -0.174 0.000 0.778 72 I N -2.088 118.310 120.570 -0.286 0.000 2.716 72 I HA -0.094 4.076 4.170 -0.000 0.000 0.259 72 I C 2.522 178.624 176.117 -0.026 0.000 1.172 72 I CA 0.452 61.652 61.300 -0.166 0.000 1.478 72 I CB -1.413 36.587 38.000 -0.000 0.000 1.104 72 I HN 0.111 nan 8.210 nan 0.000 0.439 73 W N 3.746 124.895 121.300 -0.252 0.000 2.333 73 W HA -0.195 4.465 4.660 -0.000 0.000 0.316 73 W C -0.749 175.644 176.519 -0.211 0.000 1.215 73 W CA 1.546 58.754 57.345 -0.229 0.000 1.278 73 W CB -1.228 28.073 29.460 -0.265 0.000 1.154 73 W HN 0.056 nan 8.180 nan 0.000 0.486 74 P HA -0.195 nan 4.420 nan 0.000 0.216 74 P C 1.544 178.616 177.300 -0.379 0.000 1.150 74 P CA 2.078 64.948 63.100 -0.383 0.000 0.837 74 P CB -0.326 31.253 31.700 -0.202 0.000 0.786 75 I N -1.560 118.834 120.570 -0.295 0.000 2.252 75 I HA -0.180 3.990 4.170 -0.000 0.000 0.245 75 I C 2.202 178.114 176.117 -0.342 0.000 1.102 75 I CA 1.216 62.324 61.300 -0.320 0.000 1.385 75 I CB -0.680 37.182 38.000 -0.230 0.000 1.064 75 I HN -0.168 nan 8.210 nan 0.000 0.414 76 V N 0.782 120.510 119.914 -0.310 0.000 2.255 76 V HA -0.223 3.897 4.120 -0.000 0.000 0.243 76 V C 2.191 177.959 176.094 -0.543 0.000 1.038 76 V CA 2.130 64.242 62.300 -0.314 0.000 1.008 76 V CB -0.736 30.982 31.823 -0.175 0.000 0.645 76 V HN 0.402 nan 8.190 nan 0.000 0.449 77 N N -0.293 117.809 118.700 -0.997 0.000 2.244 77 N HA -0.099 4.641 4.740 -0.000 0.000 0.183 77 N C 1.810 176.934 175.510 -0.643 0.000 1.016 77 N CA 1.783 54.166 53.050 -1.111 0.000 0.866 77 N CB 0.078 37.314 38.487 -2.085 0.000 0.980 77 N HN 0.461 nan 8.380 nan 0.000 0.430 78 S N -1.903 113.471 115.700 -0.543 0.000 2.694 78 S HA 0.089 4.559 4.470 -0.000 0.000 0.225 78 S C 1.800 176.227 174.600 -0.289 0.000 1.012 78 S CA 0.490 58.476 58.200 -0.357 0.000 0.896 78 S CB -0.502 62.511 63.200 -0.312 0.000 0.838 78 S HN 0.229 nan 8.310 nan 0.000 0.604 79 T N 3.465 117.828 114.554 -0.318 0.000 2.607 79 T HA 0.011 4.361 4.350 -0.000 0.000 0.267 79 T C 1.605 176.115 174.700 -0.317 0.000 1.049 79 T CA 1.336 63.240 62.100 -0.326 0.000 1.162 79 T CB -0.436 68.130 68.868 -0.503 0.000 0.863 79 T HN 0.181 nan 8.240 nan 0.000 0.424 80 L N -0.257 120.763 121.223 -0.337 0.000 2.513 80 L HA 0.255 4.595 4.340 -0.000 0.000 0.222 80 L C 0.382 177.135 176.870 -0.194 0.000 1.096 80 L CA -0.014 54.682 54.840 -0.241 0.000 0.857 80 L CB -0.194 41.739 42.059 -0.210 0.000 1.026 80 L HN 0.193 nan 8.230 nan 0.000 0.469 81 K N 1.818 122.070 120.400 -0.245 0.000 3.689 81 K HA -0.168 4.152 4.320 -0.000 0.000 0.276 81 K C -0.434 176.057 176.600 -0.182 0.000 0.932 81 K CA 0.353 56.503 56.287 -0.229 0.000 0.758 81 K CB -1.651 30.744 32.500 -0.174 0.000 1.500 81 K HN 0.301 nan 8.250 nan 0.000 0.448 82 L N 0.834 121.943 121.223 -0.190 0.000 2.371 82 L HA 0.225 4.565 4.340 -0.000 0.000 0.272 82 L C 1.195 177.987 176.870 -0.129 0.000 1.124 82 L CA -0.504 54.263 54.840 -0.122 0.000 0.816 82 L CB 0.742 42.739 42.059 -0.102 0.000 1.129 82 L HN 0.292 nan 8.230 nan 0.000 0.448 83 R N 3.007 123.455 120.500 -0.087 0.000 2.522 83 R HA 0.078 4.418 4.340 -0.000 0.000 0.284 83 R C -0.756 175.464 176.300 -0.133 0.000 1.032 83 R CA 0.166 56.193 56.100 -0.122 0.000 1.049 83 R CB 0.198 30.480 30.300 -0.030 0.000 0.956 83 R HN 0.874 nan 8.270 nan 0.000 0.422 84 N N 2.112 120.623 118.700 -0.315 0.000 2.823 84 N HA 0.409 5.149 4.740 -0.000 0.000 0.251 84 N C -1.778 173.482 175.510 -0.416 0.000 1.392 84 N CA -0.816 52.156 53.050 -0.131 0.000 0.864 84 N CB 0.979 39.555 38.487 0.148 0.000 1.481 84 N HN 0.277 nan 8.380 nan 0.000 0.508 85 F N -1.111 119.026 119.950 0.311 0.000 2.591 85 F HA 0.513 5.040 4.527 -0.000 0.000 0.309 85 F C 0.367 176.251 175.800 0.141 0.000 1.098 85 F CA -0.837 57.299 58.000 0.228 0.000 0.937 85 F CB 2.174 41.230 39.000 0.094 0.000 1.250 85 F HN 0.433 nan 8.300 nan 0.000 0.447 86 R N 1.197 121.713 120.500 0.026 0.000 2.491 86 R HA 0.436 4.775 4.340 -0.000 0.000 0.283 86 R C -0.562 175.696 176.300 -0.068 0.000 1.072 86 R CA -0.012 55.759 56.100 -0.549 0.000 1.048 86 R CB 0.710 30.630 30.300 -0.633 0.000 0.983 86 R HN 0.725 nan 8.270 nan 0.000 0.450 87 S N 2.595 118.309 115.700 0.022 0.000 2.513 87 S HA 0.058 4.528 4.470 -0.000 0.000 0.276 87 S C -0.641 173.826 174.600 -0.221 0.000 1.254 87 S CA -0.516 57.722 58.200 0.064 0.000 1.053 87 S CB 1.167 64.503 63.200 0.227 0.000 0.958 87 S HN 0.521 nan 8.310 nan 0.000 0.491 88 D N 1.538 121.836 120.400 -0.169 0.000 2.381 88 D HA 0.299 4.939 4.640 -0.000 0.000 0.235 88 D C -0.643 175.564 176.300 -0.154 0.000 1.068 88 D CA -0.658 53.287 54.000 -0.091 0.000 0.832 88 D CB 0.372 41.231 40.800 0.099 0.000 1.101 88 D HN 0.404 nan 8.370 nan 0.000 0.515 89 F N 1.398 121.432 119.950 0.140 0.000 2.641 89 F HA 0.155 4.682 4.527 -0.000 0.000 0.302 89 F C 1.563 177.387 175.800 0.040 0.000 1.098 89 F CA -0.482 57.558 58.000 0.067 0.000 1.318 89 F CB 0.583 39.557 39.000 -0.043 0.000 1.035 89 F HN 0.248 nan 8.300 nan 0.000 0.551 90 D N -0.492 120.004 120.400 0.160 0.000 2.264 90 D HA -0.166 4.474 4.640 -0.000 0.000 0.208 90 D C 1.036 177.149 176.300 -0.311 0.000 0.966 90 D CA 1.392 55.324 54.000 -0.112 0.000 0.864 90 D CB -0.150 40.484 40.800 -0.277 0.000 0.933 90 D HN 0.353 nan 8.370 nan 0.000 0.499 91 Y N 0.088 120.431 120.300 0.073 0.000 2.571 91 Y HA 0.261 4.811 4.550 -0.000 0.000 0.275 91 Y C 1.891 177.833 175.900 0.070 0.000 1.179 91 Y CA -0.291 57.846 58.100 0.062 0.000 1.242 91 Y CB -0.137 38.365 38.460 0.070 0.000 1.126 91 Y HN -0.127 nan 8.280 nan 0.000 0.524 92 L N -0.273 121.031 121.223 0.135 0.000 2.081 92 L HA -0.299 4.041 4.340 -0.000 0.000 0.212 92 L C 2.561 179.461 176.870 0.051 0.000 1.080 92 L CA 1.398 56.283 54.840 0.076 0.000 0.754 92 L CB -0.519 41.474 42.059 -0.110 0.000 0.893 92 L HN 0.374 nan 8.230 nan 0.000 0.433 93 A N -0.799 122.025 122.820 0.008 0.000 2.076 93 A HA -0.244 4.076 4.320 -0.000 0.000 0.220 93 A C 2.081 179.693 177.584 0.047 0.000 1.160 93 A CA 1.520 53.558 52.037 0.002 0.000 0.653 93 A CB -0.361 18.623 19.000 -0.026 0.000 0.801 93 A HN 0.565 nan 8.150 nan 0.000 0.455 94 Q N -0.718 119.132 119.800 0.084 0.000 2.360 94 Q HA 0.105 4.445 4.340 -0.000 0.000 0.202 94 Q C -0.133 175.904 176.000 0.062 0.000 0.915 94 Q CA 0.128 55.980 55.803 0.081 0.000 0.943 94 Q CB 0.276 29.089 28.738 0.125 0.000 1.064 94 Q HN 0.596 nan 8.270 nan 0.000 0.511 95 N N 0.359 119.127 118.700 0.113 0.000 2.553 95 N HA 0.149 4.889 4.740 -0.000 0.000 0.298 95 N C -1.307 174.352 175.510 0.249 0.000 1.596 95 N CA 0.121 53.278 53.050 0.178 0.000 0.910 95 N CB 1.906 40.598 38.487 0.343 0.000 1.336 95 N HN -0.105 nan 8.380 nan 0.000 0.497 96 V N 2.022 122.005 119.914 0.116 0.000 2.334 96 V HA 0.311 4.431 4.120 -0.000 0.000 0.281 96 V C -0.470 175.762 176.094 0.229 0.000 1.016 96 V CA -0.645 61.786 62.300 0.219 0.000 0.832 96 V CB 0.160 32.048 31.823 0.108 0.000 0.999 96 V HN 0.162 nan 8.190 nan 0.000 0.439 97 Y N 3.439 123.911 120.300 0.286 0.000 2.319 97 Y HA 0.325 4.875 4.550 -0.000 0.000 0.328 97 Y C 1.049 177.107 175.900 0.264 0.000 1.133 97 Y CA -0.364 57.867 58.100 0.219 0.000 1.265 97 Y CB 0.734 39.295 38.460 0.169 0.000 1.218 97 Y HN 0.496 nan 8.280 nan 0.000 0.508 98 K N 1.976 122.450 120.400 0.124 0.000 2.295 98 K HA -0.025 4.295 4.320 -0.000 0.000 0.270 98 K C 1.090 177.766 176.600 0.126 0.000 1.011 98 K CA -0.257 56.002 56.287 -0.047 0.000 0.953 98 K CB 0.719 32.955 32.500 -0.441 0.000 0.956 98 K HN 0.775 nan 8.250 nan 0.000 0.477 99 E N 1.326 121.552 120.200 0.044 0.000 2.160 99 E HA -0.206 4.144 4.350 -0.000 0.000 0.195 99 E C -0.419 176.337 176.600 0.259 0.000 0.991 99 E CA 1.281 57.730 56.400 0.082 0.000 0.810 99 E CB 0.311 30.022 29.700 0.018 0.000 0.742 99 E HN 0.404 nan 8.360 nan 0.000 0.466 100 D N -0.544 119.922 120.400 0.111 0.000 2.389 100 D HA 0.290 4.930 4.640 -0.000 0.000 0.256 100 D C -0.875 175.435 176.300 0.017 0.000 1.239 100 D CA 0.449 54.497 54.000 0.079 0.000 0.925 100 D CB 1.079 41.907 40.800 0.047 0.000 1.145 100 D HN 0.295 nan 8.370 nan 0.000 0.542 101 G N 1.795 110.614 108.800 0.031 0.000 3.379 101 G HA2 0.350 4.310 3.960 -0.000 0.000 0.653 101 G HA3 0.350 4.310 3.960 -0.000 0.000 0.653 101 G C 0.494 175.363 174.900 -0.052 0.000 0.872 101 G CA 0.035 45.130 45.100 -0.010 0.000 0.754 101 G HN 1.028 nan 8.290 nan 0.000 0.467 102 G N -0.208 108.575 108.800 -0.028 0.000 2.860 102 G HA2 0.331 4.291 3.960 -0.000 0.000 0.553 102 G HA3 0.331 4.291 3.960 -0.000 0.000 0.553 102 G C 0.620 175.365 174.900 -0.258 0.000 1.439 102 G CA 0.437 45.470 45.100 -0.112 0.000 0.879 102 G HN 2.558 nan 8.290 nan 0.000 0.545 103 V N -1.542 118.140 119.914 -0.388 0.000 2.904 103 V HA 0.755 4.875 4.120 -0.000 0.000 0.305 103 V C 0.680 176.664 176.094 -0.185 0.000 1.067 103 V CA -1.252 60.825 62.300 -0.372 0.000 1.044 103 V CB 1.119 32.673 31.823 -0.447 0.000 1.050 103 V HN 0.909 nan 8.190 nan 0.000 0.475 104 Y N 0.708 120.945 120.300 -0.105 0.000 2.330 104 Y HA 0.274 4.823 4.550 -0.000 0.000 0.341 104 Y C 0.928 176.822 175.900 -0.009 0.000 1.278 104 Y CA 0.597 58.680 58.100 -0.029 0.000 1.453 104 Y CB 0.303 38.800 38.460 0.062 0.000 1.342 104 Y HN 0.945 nan 8.280 nan 0.000 0.590 105 D N 1.074 121.593 120.400 0.197 0.000 2.450 105 D HA -0.068 4.571 4.640 -0.000 0.000 0.247 105 D C 1.094 177.501 176.300 0.179 0.000 1.162 105 D CA 0.314 54.398 54.000 0.140 0.000 0.879 105 D CB 0.597 41.479 40.800 0.135 0.000 1.163 105 D HN 0.668 nan 8.370 nan 0.000 0.472 106 E N 3.057 123.319 120.200 0.103 0.000 2.085 106 E HA -0.303 4.047 4.350 -0.000 0.000 0.194 106 E C 1.264 177.902 176.600 0.062 0.000 0.994 106 E CA 1.284 57.729 56.400 0.075 0.000 0.801 106 E CB 0.050 29.779 29.700 0.049 0.000 0.743 106 E HN 0.712 nan 8.360 nan 0.000 0.453 107 D N -0.465 119.978 120.400 0.071 0.000 2.117 107 D HA -0.214 4.426 4.640 -0.000 0.000 0.197 107 D C 1.900 178.234 176.300 0.056 0.000 0.987 107 D CA 1.032 55.061 54.000 0.049 0.000 0.829 107 D CB -0.321 40.511 40.800 0.053 0.000 0.961 107 D HN 0.316 nan 8.370 nan 0.000 0.460 108 Y N 1.501 121.808 120.300 0.012 0.000 2.097 108 Y HA -0.224 4.326 4.550 -0.000 0.000 0.282 108 Y C 2.325 178.214 175.900 -0.018 0.000 1.152 108 Y CA 1.594 59.700 58.100 0.010 0.000 1.136 108 Y CB -0.604 37.884 38.460 0.047 0.000 0.975 108 Y HN -0.152 nan 8.280 nan 0.000 0.498 109 V N 0.524 120.406 119.914 -0.054 0.000 2.343 109 V HA -0.317 3.803 4.120 -0.000 0.000 0.247 109 V C 2.376 178.350 176.094 -0.200 0.000 1.051 109 V CA 2.170 64.354 62.300 -0.192 0.000 1.036 109 V CB -0.889 30.905 31.823 -0.049 0.000 0.654 109 V HN 0.380 nan 8.190 nan 0.000 0.451 110 Q N 0.317 120.046 119.800 -0.119 0.000 2.135 110 Q HA -0.194 4.146 4.340 -0.000 0.000 0.204 110 Q C 2.206 178.124 176.000 -0.138 0.000 0.981 110 Q CA 1.700 57.438 55.803 -0.108 0.000 0.856 110 Q CB -0.267 28.429 28.738 -0.070 0.000 0.902 110 Q HN 0.399 nan 8.270 nan 0.000 0.425 111 K N -0.247 120.049 120.400 -0.172 0.000 2.097 111 K HA -0.053 4.267 4.320 -0.000 0.000 0.205 111 K C 1.921 178.395 176.600 -0.210 0.000 1.050 111 K CA 0.817 57.002 56.287 -0.170 0.000 0.938 111 K CB -0.017 32.388 32.500 -0.157 0.000 0.718 111 K HN 0.165 nan 8.250 nan 0.000 0.442 112 R N 0.858 121.160 120.500 -0.331 0.000 2.081 112 R HA -0.029 4.311 4.340 -0.000 0.000 0.235 112 R C 2.416 178.618 176.300 -0.163 0.000 1.131 112 R CA 0.945 56.875 56.100 -0.284 0.000 0.960 112 R CB -0.970 29.104 30.300 -0.377 0.000 0.856 112 R HN 0.270 nan 8.270 nan 0.000 0.436 113 I N 1.050 121.528 120.570 -0.153 0.000 2.226 113 I HA -0.255 3.915 4.170 -0.000 0.000 0.245 113 I C 2.175 178.243 176.117 -0.082 0.000 1.100 113 I CA 1.392 62.631 61.300 -0.102 0.000 1.374 113 I CB -0.274 37.663 38.000 -0.105 0.000 1.057 113 I HN 0.235 nan 8.210 nan 0.000 0.413 114 E N 0.649 120.794 120.200 -0.091 0.000 2.077 114 E HA -0.206 4.144 4.350 -0.000 0.000 0.193 114 E C 2.336 178.900 176.600 -0.060 0.000 0.989 114 E CA 1.164 57.521 56.400 -0.072 0.000 0.800 114 E CB -0.095 29.562 29.700 -0.072 0.000 0.746 114 E HN 0.470 nan 8.360 nan 0.000 0.452 115 L N 0.472 121.654 121.223 -0.068 0.000 2.046 115 L HA -0.187 4.153 4.340 -0.000 0.000 0.208 115 L C 2.653 179.507 176.870 -0.027 0.000 1.077 115 L CA 1.035 55.845 54.840 -0.050 0.000 0.747 115 L CB -0.681 41.345 42.059 -0.054 0.000 0.896 115 L HN 0.159 nan 8.230 nan 0.000 0.432 116 A N 0.118 122.924 122.820 -0.023 0.000 1.883 116 A HA -0.246 4.074 4.320 -0.000 0.000 0.217 116 A C 1.923 179.520 177.584 0.021 0.000 1.186 116 A CA 2.150 54.199 52.037 0.019 0.000 0.624 116 A CB -0.553 18.461 19.000 0.023 0.000 0.822 116 A HN 0.350 nan 8.150 nan 0.000 0.444 117 D N -0.733 119.656 120.400 -0.019 0.000 2.117 117 D HA -0.105 4.535 4.640 -0.000 0.000 0.198 117 D C 2.330 178.621 176.300 -0.016 0.000 0.982 117 D CA 1.560 55.541 54.000 -0.032 0.000 0.828 117 D CB -0.360 40.410 40.800 -0.050 0.000 0.967 117 D HN 0.437 nan 8.370 nan 0.000 0.464 118 S N -0.165 115.523 115.700 -0.021 0.000 2.368 118 S HA -0.133 4.337 4.470 -0.000 0.000 0.225 118 S C 2.134 176.728 174.600 -0.010 0.000 1.030 118 S CA 1.115 59.302 58.200 -0.021 0.000 0.999 118 S CB -0.347 62.834 63.200 -0.030 0.000 0.844 118 S HN 0.055 nan 8.310 nan 0.000 0.459 119 V N 1.802 121.717 119.914 0.003 0.000 2.343 119 V HA -0.151 3.969 4.120 -0.000 0.000 0.247 119 V C 2.640 178.757 176.094 0.039 0.000 1.051 119 V CA 2.333 64.639 62.300 0.011 0.000 1.036 119 V CB -0.841 30.995 31.823 0.022 0.000 0.654 119 V HN 0.648 nan 8.190 nan 0.000 0.451 120 E N 0.049 120.302 120.200 0.088 0.000 2.085 120 E HA -0.269 4.081 4.350 -0.000 0.000 0.194 120 E C 2.147 178.782 176.600 0.059 0.000 0.994 120 E CA 1.660 58.142 56.400 0.137 0.000 0.801 120 E CB -0.067 29.731 29.700 0.164 0.000 0.743 120 E HN 0.730 nan 8.360 nan 0.000 0.453 121 E N 0.052 120.265 120.200 0.022 0.000 2.077 121 E HA -0.210 4.140 4.350 -0.000 0.000 0.193 121 E C 2.178 178.774 176.600 -0.007 0.000 0.989 121 E CA 1.409 57.809 56.400 -0.000 0.000 0.800 121 E CB -0.142 29.550 29.700 -0.014 0.000 0.746 121 E HN 0.376 nan 8.360 nan 0.000 0.452 122 M N 0.334 119.927 119.600 -0.011 0.000 2.213 122 M HA -0.094 4.386 4.480 -0.000 0.000 0.263 122 M C 2.407 178.695 176.300 -0.020 0.000 1.062 122 M CA 1.458 56.745 55.300 -0.022 0.000 1.105 122 M CB -0.323 32.257 32.600 -0.033 0.000 1.385 122 M HN 0.219 nan 8.290 nan 0.000 0.417 123 G N 0.006 108.802 108.800 -0.006 0.000 2.432 123 G HA2 -0.192 3.768 3.960 -0.000 0.000 0.219 123 G HA3 -0.192 3.768 3.960 -0.000 0.000 0.219 123 G C 1.321 176.210 174.900 -0.019 0.000 1.135 123 G CA 0.716 45.808 45.100 -0.013 0.000 0.767 123 G HN 0.489 nan 8.290 nan 0.000 0.550 124 E N 0.385 120.581 120.200 -0.006 0.000 2.072 124 E HA -0.082 4.268 4.350 -0.000 0.000 0.191 124 E C 2.525 179.107 176.600 -0.031 0.000 0.985 124 E CA 0.862 57.253 56.400 -0.015 0.000 0.801 124 E CB -0.067 29.630 29.700 -0.005 0.000 0.750 124 E HN 0.365 nan 8.360 nan 0.000 0.452 125 K N 0.538 120.920 120.400 -0.029 0.000 2.063 125 K HA -0.176 4.144 4.320 -0.000 0.000 0.208 125 K C 2.273 178.846 176.600 -0.045 0.000 1.048 125 K CA 0.948 57.214 56.287 -0.035 0.000 0.928 125 K CB -0.204 32.277 32.500 -0.031 0.000 0.713 125 K HN 0.059 nan 8.250 nan 0.000 0.442 126 L N 0.891 122.087 121.223 -0.045 0.000 2.056 126 L HA -0.123 4.217 4.340 -0.000 0.000 0.207 126 L C 2.356 179.184 176.870 -0.069 0.000 1.078 126 L CA 1.705 56.512 54.840 -0.054 0.000 0.749 126 L CB -0.759 41.270 42.059 -0.049 0.000 0.901 126 L HN 0.018 nan 8.230 nan 0.000 0.433 127 S N -0.482 115.177 115.700 -0.068 0.000 2.374 127 S HA -0.232 4.238 4.470 -0.000 0.000 0.227 127 S C 2.167 176.714 174.600 -0.088 0.000 1.037 127 S CA 1.348 59.497 58.200 -0.084 0.000 1.024 127 S CB -0.585 62.566 63.200 -0.082 0.000 0.861 127 S HN 0.704 nan 8.310 nan 0.000 0.456 128 A N 0.408 123.183 122.820 -0.074 0.000 2.024 128 A HA -0.092 4.227 4.320 -0.000 0.000 0.220 128 A C 2.284 179.816 177.584 -0.088 0.000 1.164 128 A CA 2.209 54.203 52.037 -0.073 0.000 0.643 128 A CB -1.217 17.748 19.000 -0.058 0.000 0.806 128 A HN 0.779 nan 8.150 nan 0.000 0.451 129 T N -2.252 112.242 114.554 -0.100 0.000 3.100 129 T HA 0.375 4.725 4.350 -0.000 0.000 0.253 129 T C 0.574 175.142 174.700 -0.219 0.000 1.118 129 T CA -0.240 61.778 62.100 -0.137 0.000 1.058 129 T CB -0.585 68.211 68.868 -0.119 0.000 0.953 129 T HN 0.251 nan 8.240 nan 0.000 0.515 130 L N 1.969 123.083 121.223 -0.181 0.000 2.464 130 L HA 0.301 4.641 4.340 -0.000 0.000 0.264 130 L C 0.829 177.562 176.870 -0.227 0.000 1.199 130 L CA -0.874 53.839 54.840 -0.211 0.000 0.818 130 L CB 0.175 42.168 42.059 -0.111 0.000 1.102 130 L HN 0.283 nan 8.230 nan 0.000 0.473 131 H N 1.118 120.179 119.070 -0.015 0.000 2.683 131 H HA 0.067 4.623 4.556 -0.000 0.000 0.339 131 H C 0.760 176.087 175.328 -0.000 0.000 1.081 131 H CA 0.198 56.242 56.048 -0.007 0.000 1.432 131 H CB 1.435 31.195 29.762 -0.003 0.000 1.462 131 H HN 0.786 nan 8.280 nan 0.000 0.557 132 A N 2.981 125.883 122.820 0.137 0.000 1.986 132 A HA -0.232 4.088 4.320 -0.000 0.000 0.220 132 A C 2.338 179.985 177.584 0.104 0.000 1.171 132 A CA 1.909 54.001 52.037 0.092 0.000 0.640 132 A CB -0.674 18.377 19.000 0.084 0.000 0.811 132 A HN 0.754 nan 8.150 nan 0.000 0.451 133 S N -1.661 114.102 115.700 0.105 0.000 2.500 133 S HA 0.224 4.694 4.470 -0.000 0.000 0.239 133 S C 1.667 176.328 174.600 0.102 0.000 0.989 133 S CA 1.314 59.563 58.200 0.083 0.000 0.951 133 S CB -0.735 62.487 63.200 0.038 0.000 0.759 133 S HN 2.006 nan 8.310 nan 0.000 0.523 134 G N 2.566 111.429 108.800 0.104 0.000 2.179 134 G HA2 -0.422 3.538 3.960 -0.000 0.000 0.260 134 G HA3 -0.422 3.538 3.960 -0.000 0.000 0.260 134 G C 0.917 175.866 174.900 0.082 0.000 0.977 134 G CA 0.514 45.669 45.100 0.091 0.000 0.641 134 G HN 0.786 nan 8.290 nan 0.000 0.533 135 R N 0.423 120.974 120.500 0.085 0.000 2.261 135 R HA -0.058 4.282 4.340 -0.000 0.000 0.236 135 R C 0.801 177.143 176.300 0.070 0.000 1.141 135 R CA 1.983 58.124 56.100 0.067 0.000 1.001 135 R CB -0.263 30.063 30.300 0.043 0.000 0.866 135 R HN 0.384 nan 8.270 nan 0.000 0.468 136 D N 0.232 120.679 120.400 0.079 0.000 2.440 136 D HA 0.047 4.687 4.640 -0.000 0.000 0.216 136 D C -0.403 175.902 176.300 0.008 0.000 1.150 136 D CA -0.369 53.659 54.000 0.048 0.000 0.832 136 D CB 0.086 40.913 40.800 0.045 0.000 0.992 136 D HN 0.164 nan 8.370 nan 0.000 0.502 137 D N 1.913 122.318 120.400 0.008 0.000 2.364 137 D HA 0.150 4.790 4.640 -0.000 0.000 0.236 137 D C 0.373 176.657 176.300 -0.026 0.000 1.221 137 D CA 0.410 54.395 54.000 -0.025 0.000 0.891 137 D CB 0.639 41.429 40.800 -0.017 0.000 1.190 137 D HN 0.046 nan 8.370 nan 0.000 0.449 138 M N -1.063 118.506 119.600 -0.052 0.000 2.644 138 M HA 0.387 4.867 4.480 -0.000 0.000 0.273 138 M C -0.716 175.535 176.300 -0.082 0.000 1.253 138 M CA -0.988 54.281 55.300 -0.052 0.000 0.852 138 M CB 1.549 34.120 32.600 -0.049 0.000 1.708 138 M HN 0.274 nan 8.290 nan 0.000 0.471 139 S N 0.425 116.077 115.700 -0.081 0.000 2.600 139 S HA 0.374 4.844 4.470 -0.000 0.000 0.265 139 S C 0.931 175.440 174.600 -0.152 0.000 1.325 139 S CA -0.697 57.435 58.200 -0.114 0.000 1.002 139 S CB 0.541 63.684 63.200 -0.097 0.000 0.921 139 S HN 0.742 nan 8.310 nan 0.000 0.554 140 I N 0.679 121.117 120.570 -0.221 0.000 2.361 140 I HA -0.141 4.029 4.170 -0.000 0.000 0.251 140 I C 2.348 178.313 176.117 -0.254 0.000 1.133 140 I CA 0.899 62.024 61.300 -0.292 0.000 1.413 140 I CB -0.495 37.194 38.000 -0.519 0.000 1.073 140 I HN 0.623 nan 8.210 nan 0.000 0.424 141 L N 1.495 122.589 121.223 -0.214 0.000 2.042 141 L HA -0.183 4.157 4.340 -0.000 0.000 0.210 141 L C 2.583 179.395 176.870 -0.096 0.000 1.076 141 L CA 2.199 56.951 54.840 -0.146 0.000 0.749 141 L CB -0.824 41.174 42.059 -0.101 0.000 0.893 141 L HN 0.182 nan 8.230 nan 0.000 0.432 142 A N -0.533 122.235 122.820 -0.086 0.000 1.908 142 A HA -0.247 4.073 4.320 -0.000 0.000 0.218 142 A C 2.377 179.930 177.584 -0.052 0.000 1.181 142 A CA 2.137 54.140 52.037 -0.055 0.000 0.627 142 A CB -0.766 18.204 19.000 -0.049 0.000 0.818 142 A HN 0.603 nan 8.150 nan 0.000 0.445 143 M N -0.297 119.257 119.600 -0.076 0.000 2.132 143 M HA -0.197 4.283 4.480 -0.000 0.000 0.263 143 M C 2.077 178.344 176.300 -0.054 0.000 1.065 143 M CA 2.045 57.306 55.300 -0.064 0.000 1.122 143 M CB -0.841 31.708 32.600 -0.084 0.000 1.365 143 M HN 0.586 nan 8.290 nan 0.000 0.411 144 Q N -0.296 119.461 119.800 -0.071 0.000 2.084 144 Q HA -0.167 4.173 4.340 -0.000 0.000 0.202 144 Q C 2.132 178.118 176.000 -0.023 0.000 0.978 144 Q CA 1.665 57.441 55.803 -0.046 0.000 0.844 144 Q CB -0.225 28.480 28.738 -0.054 0.000 0.898 144 Q HN 0.556 nan 8.270 nan 0.000 0.426 145 R N 0.201 120.692 120.500 -0.015 0.000 2.091 145 R HA -0.159 4.181 4.340 -0.000 0.000 0.238 145 R C 2.338 178.670 176.300 0.053 0.000 1.136 145 R CA 1.162 57.272 56.100 0.017 0.000 0.959 145 R CB -0.461 29.847 30.300 0.013 0.000 0.856 145 R HN 0.203 nan 8.270 nan 0.000 0.437 146 L N 1.532 122.777 121.223 0.037 0.000 2.046 146 L HA -0.129 4.210 4.340 -0.000 0.000 0.208 146 L C 1.421 178.296 176.870 0.008 0.000 1.077 146 L CA 1.825 56.710 54.840 0.074 0.000 0.747 146 L CB -0.416 41.660 42.059 0.029 0.000 0.896 146 L HN 0.094 nan 8.230 nan 0.000 0.432 147 N N -0.222 118.443 118.700 -0.059 0.000 2.376 147 N HA -0.094 4.646 4.740 -0.000 0.000 0.177 147 N C 1.469 176.847 175.510 -0.218 0.000 1.024 147 N CA 1.188 54.151 53.050 -0.146 0.000 0.893 147 N CB -0.036 38.399 38.487 -0.087 0.000 0.980 147 N HN 0.580 nan 8.380 nan 0.000 0.439 148 E N -0.274 119.859 120.200 -0.113 0.000 2.447 148 E HA 0.026 4.375 4.350 -0.000 0.000 0.195 148 E C -0.526 176.069 176.600 -0.008 0.000 1.028 148 E CA -0.047 56.303 56.400 -0.083 0.000 0.876 148 E CB 0.107 29.798 29.700 -0.016 0.000 0.885 148 E HN 0.246 nan 8.360 nan 0.000 0.500 149 H N 0.868 119.934 119.070 -0.007 0.000 2.748 149 H HA -0.123 4.433 4.556 -0.000 0.000 0.322 149 H C -0.534 174.792 175.328 -0.004 0.000 1.208 149 H CA 0.615 56.659 56.048 -0.006 0.000 1.151 149 H CB -1.701 28.058 29.762 -0.004 0.000 1.505 149 H HN 0.178 nan 8.280 nan 0.000 0.429 150 Q N -0.236 119.633 119.800 0.115 0.000 2.495 150 Q HA 0.359 4.699 4.340 -0.000 0.000 0.287 150 Q C -1.872 174.152 176.000 0.039 0.000 1.078 150 Q CA -1.652 54.188 55.803 0.060 0.000 0.793 150 Q CB 1.970 30.734 28.738 0.044 0.000 1.459 150 Q HN 0.085 nan 8.270 nan 0.000 0.422 151 P HA 0.046 nan 4.420 nan 0.000 0.257 151 P C -0.748 176.559 177.300 0.011 0.000 1.281 151 P CA 0.477 63.585 63.100 0.013 0.000 0.826 151 P CB 0.318 32.023 31.700 0.008 0.000 1.237 152 N N -2.336 116.372 118.700 0.014 0.000 2.825 152 N HA 0.517 5.257 4.740 -0.000 0.000 0.253 152 N C -0.143 175.373 175.510 0.010 0.000 1.426 152 N CA -0.918 52.137 53.050 0.009 0.000 0.851 152 N CB 0.433 38.928 38.487 0.012 0.000 1.470 152 N HN -0.187 nan 8.380 nan 0.000 0.517 153 G N -1.053 107.750 108.800 0.005 0.000 2.543 153 G HA2 0.542 4.502 3.960 -0.000 0.000 0.267 153 G HA3 0.542 4.502 3.960 -0.000 0.000 0.267 153 G C -2.507 172.406 174.900 0.021 0.000 1.406 153 G CA -1.793 43.311 45.100 0.006 0.000 1.048 153 G HN 0.519 nan 8.290 nan 0.000 0.548 154 P HA 0.168 nan 4.420 nan 0.000 0.261 154 P C 0.030 177.355 177.300 0.041 0.000 1.165 154 P CA 1.084 64.210 63.100 0.044 0.000 0.759 154 P CB 1.105 32.847 31.700 0.070 0.000 0.772 155 A N 2.048 124.890 122.820 0.036 0.000 2.530 155 A HA 0.190 4.510 4.320 -0.000 0.000 0.214 155 A C 0.751 178.355 177.584 0.033 0.000 1.352 155 A CA 0.321 52.378 52.037 0.033 0.000 1.035 155 A CB -0.362 18.654 19.000 0.027 0.000 1.296 155 A HN 0.497 nan 8.150 nan 0.000 0.563 156 T N -2.409 112.167 114.554 0.037 0.000 2.849 156 T HA 0.432 4.782 4.350 -0.000 0.000 0.284 156 T C -1.827 172.891 174.700 0.030 0.000 1.004 156 T CA -1.234 60.890 62.100 0.041 0.000 1.021 156 T CB 1.119 70.023 68.868 0.060 0.000 1.013 156 T HN -0.111 nan 8.240 nan 0.000 0.527 157 P HA -0.076 nan 4.420 nan 0.000 0.215 157 P C 1.774 179.060 177.300 -0.025 0.000 1.153 157 P CA 0.350 63.455 63.100 0.009 0.000 0.853 157 P CB -0.108 31.609 31.700 0.029 0.000 0.788 158 V N 0.145 120.019 119.914 -0.067 0.000 2.307 158 V HA -0.209 3.911 4.120 -0.000 0.000 0.245 158 V C 1.729 177.768 176.094 -0.091 0.000 1.045 158 V CA 2.251 64.433 62.300 -0.197 0.000 1.024 158 V CB -1.065 30.526 31.823 -0.386 0.000 0.651 158 V HN -0.016 nan 8.190 nan 0.000 0.449 159 D N -0.305 120.073 120.400 -0.037 0.000 2.149 159 D HA -0.175 4.464 4.640 -0.000 0.000 0.198 159 D C 2.181 178.505 176.300 0.041 0.000 0.990 159 D CA 1.879 55.876 54.000 -0.005 0.000 0.839 159 D CB -0.267 40.540 40.800 0.012 0.000 0.948 159 D HN 0.446 nan 8.370 nan 0.000 0.460 160 M N -0.100 119.528 119.600 0.046 0.000 2.175 160 M HA -0.097 4.383 4.480 -0.000 0.000 0.264 160 M C 2.364 178.740 176.300 0.127 0.000 1.063 160 M CA 0.713 56.065 55.300 0.087 0.000 1.119 160 M CB -0.132 32.506 32.600 0.064 0.000 1.377 160 M HN -0.097 nan 8.290 nan 0.000 0.415 161 V N -0.046 119.912 119.914 0.073 0.000 2.667 161 V HA -0.135 3.985 4.120 -0.000 0.000 0.252 161 V C 2.108 178.305 176.094 0.171 0.000 1.065 161 V CA 1.165 63.528 62.300 0.105 0.000 1.083 161 V CB 0.072 31.918 31.823 0.038 0.000 0.692 161 V HN 0.235 nan 8.190 nan 0.000 0.468 162 V N 0.340 120.316 119.914 0.104 0.000 2.307 162 V HA -0.223 3.897 4.120 -0.000 0.000 0.245 162 V C 2.318 178.527 176.094 0.192 0.000 1.045 162 V CA 2.496 64.862 62.300 0.110 0.000 1.024 162 V CB -0.651 31.186 31.823 0.022 0.000 0.651 162 V HN 0.696 nan 8.190 nan 0.000 0.449 163 D N -1.149 119.370 120.400 0.197 0.000 2.123 163 D HA -0.257 4.383 4.640 -0.000 0.000 0.196 163 D C 2.001 178.496 176.300 0.326 0.000 0.992 163 D CA 1.563 55.735 54.000 0.286 0.000 0.833 163 D CB -0.202 40.748 40.800 0.251 0.000 0.954 163 D HN 0.535 nan 8.370 nan 0.000 0.455 164 Y N -0.668 119.730 120.300 0.164 0.000 2.200 164 Y HA -0.229 4.321 4.550 -0.000 0.000 0.290 164 Y C 2.062 178.025 175.900 0.104 0.000 1.137 164 Y CA 1.812 59.997 58.100 0.142 0.000 1.163 164 Y CB -0.547 37.973 38.460 0.099 0.000 0.988 164 Y HN 0.143 nan 8.280 nan 0.000 0.518 165 Y N 0.893 121.297 120.300 0.174 0.000 2.200 165 Y HA -0.153 4.397 4.550 -0.000 0.000 0.290 165 Y C 2.022 177.858 175.900 -0.106 0.000 1.137 165 Y CA 1.943 60.050 58.100 0.012 0.000 1.163 165 Y CB -0.403 38.022 38.460 -0.057 0.000 0.988 165 Y HN -0.028 nan 8.280 nan 0.000 0.518 166 K N -1.085 119.123 120.400 -0.319 0.000 2.288 166 K HA -0.048 4.272 4.320 -0.000 0.000 0.201 166 K C 1.025 177.082 176.600 -0.906 0.000 1.048 166 K CA 1.554 57.388 56.287 -0.754 0.000 0.956 166 K CB -0.077 31.974 32.500 -0.749 0.000 0.746 166 K HN 0.365 nan 8.250 nan 0.000 0.461 167 F N -0.438 119.403 119.950 -0.181 0.000 2.423 167 F HA 0.074 4.601 4.527 -0.000 0.000 0.269 167 F C 1.484 177.209 175.800 -0.126 0.000 0.880 167 F CA -0.344 57.617 58.000 -0.064 0.000 1.134 167 F CB 0.005 39.051 39.000 0.077 0.000 1.143 167 F HN -0.186 nan 8.300 nan 0.000 0.802 168 D N -0.012 120.362 120.400 -0.043 0.000 2.149 168 D HA -0.244 4.396 4.640 -0.000 0.000 0.198 168 D C 1.703 177.844 176.300 -0.265 0.000 0.990 168 D CA 1.424 55.246 54.000 -0.296 0.000 0.839 168 D CB -0.480 39.728 40.800 -0.987 0.000 0.948 168 D HN 0.238 nan 8.370 nan 0.000 0.460 169 Y N 0.953 120.964 120.300 -0.482 0.000 2.421 169 Y HA -0.102 4.448 4.550 -0.000 0.000 0.292 169 Y C 2.024 177.802 175.900 -0.203 0.000 1.136 169 Y CA 1.103 59.053 58.100 -0.250 0.000 1.255 169 Y CB 0.040 38.319 38.460 -0.301 0.000 0.991 169 Y HN -0.115 nan 8.280 nan 0.000 0.552 170 E N -0.844 119.091 120.200 -0.442 0.000 2.099 170 E HA -0.012 4.338 4.350 -0.000 0.000 0.191 170 E C 1.486 177.733 176.600 -0.589 0.000 0.962 170 E CA 1.386 57.344 56.400 -0.737 0.000 0.826 170 E CB -0.570 28.437 29.700 -1.155 0.000 0.788 170 E HN 0.395 nan 8.360 nan 0.000 0.461 171 F N -0.331 119.664 119.950 0.074 0.000 2.698 171 F HA 0.393 4.920 4.527 -0.000 0.000 0.295 171 F C 1.333 177.300 175.800 0.278 0.000 1.124 171 F CA 0.273 58.381 58.000 0.180 0.000 1.426 171 F CB 0.441 39.515 39.000 0.123 0.000 1.120 171 F HN 0.125 nan 8.300 nan 0.000 0.583 172 A N 0.290 123.299 122.820 0.314 0.000 2.952 172 A HA -0.230 4.090 4.320 -0.000 0.000 0.252 172 A C 0.214 177.837 177.584 0.065 0.000 1.323 172 A CA 1.192 53.336 52.037 0.178 0.000 0.957 172 A CB -2.177 16.868 19.000 0.074 0.000 1.130 172 A HN 0.486 nan 8.150 nan 0.000 0.799 173 E N -1.582 118.676 120.200 0.097 0.000 2.433 173 E HA 0.522 4.872 4.350 -0.000 0.000 0.278 173 E C -3.120 173.507 176.600 0.045 0.000 0.976 173 E CA -2.389 54.032 56.400 0.035 0.000 0.793 173 E CB 1.845 31.550 29.700 0.009 0.000 1.311 173 E HN 0.152 nan 8.360 nan 0.000 0.460 174 P HA 0.104 nan 4.420 nan 0.000 0.274 174 P C -2.174 175.107 177.300 -0.031 0.000 1.237 174 P CA -1.138 61.973 63.100 0.018 0.000 0.793 174 P CB 0.309 32.021 31.700 0.020 0.000 0.977 175 P HA -0.175 nan 4.420 nan 0.000 0.216 175 P C 1.271 178.460 177.300 -0.185 0.000 1.150 175 P CA 1.651 64.600 63.100 -0.252 0.000 0.837 175 P CB -0.184 31.268 31.700 -0.412 0.000 0.786 176 R N -0.074 120.358 120.500 -0.114 0.000 2.241 176 R HA -0.047 4.293 4.340 -0.000 0.000 0.224 176 R C 1.522 177.776 176.300 -0.077 0.000 1.101 176 R CA 1.617 57.664 56.100 -0.088 0.000 0.995 176 R CB -1.327 28.940 30.300 -0.054 0.000 0.870 176 R HN 0.235 nan 8.270 nan 0.000 0.463 177 V N -2.698 117.171 119.914 -0.075 0.000 3.660 177 V HA 0.191 4.311 4.120 -0.000 0.000 0.276 177 V C 0.334 176.373 176.094 -0.091 0.000 1.317 177 V CA -0.139 62.120 62.300 -0.068 0.000 1.097 177 V CB 0.298 32.087 31.823 -0.056 0.000 0.863 177 V HN 0.083 nan 8.190 nan 0.000 0.438 178 T N 2.395 116.873 114.554 -0.128 0.000 2.832 178 T HA 0.288 4.638 4.350 -0.000 0.000 0.296 178 T C 0.302 174.887 174.700 -0.190 0.000 0.968 178 T CA 0.638 62.630 62.100 -0.180 0.000 1.107 178 T CB 1.117 69.834 68.868 -0.252 0.000 0.916 178 T HN 0.515 nan 8.240 nan 0.000 0.517 179 S N 2.832 118.430 115.700 -0.170 0.000 2.515 179 S HA 0.025 4.495 4.470 -0.000 0.000 0.285 179 S C 1.278 175.706 174.600 -0.286 0.000 1.265 179 S CA -0.777 57.304 58.200 -0.197 0.000 1.079 179 S CB -0.089 62.948 63.200 -0.272 0.000 0.877 179 S HN 0.625 nan 8.310 nan 0.000 0.493 180 L N 5.698 126.787 121.223 -0.222 0.000 2.027 180 L HA -0.016 4.324 4.340 -0.000 0.000 0.206 180 L C 2.543 179.271 176.870 -0.237 0.000 1.074 180 L CA 2.102 56.816 54.840 -0.211 0.000 0.745 180 L CB -0.983 40.984 42.059 -0.153 0.000 0.898 180 L HN 0.935 nan 8.230 nan 0.000 0.433 181 Q N -0.457 119.196 119.800 -0.244 0.000 2.112 181 Q HA -0.217 4.123 4.340 -0.000 0.000 0.206 181 Q C 1.072 176.836 176.000 -0.393 0.000 0.987 181 Q CA 1.937 57.584 55.803 -0.259 0.000 0.858 181 Q CB -0.041 28.560 28.738 -0.228 0.000 0.905 181 Q HN 0.614 nan 8.270 nan 0.000 0.420 182 N N -0.829 117.493 118.700 -0.630 0.000 2.268 182 N HA 0.006 4.746 4.740 -0.000 0.000 0.204 182 N C 0.353 175.516 175.510 -0.579 0.000 1.124 182 N CA 1.042 53.549 53.050 -0.905 0.000 0.838 182 N CB 1.125 38.295 38.487 -2.195 0.000 0.994 182 N HN 0.389 nan 8.380 nan 0.000 0.489 183 T N -4.654 109.671 114.554 -0.381 0.000 3.073 183 T HA 0.190 4.540 4.350 -0.000 0.000 0.264 183 T C 0.151 174.826 174.700 -0.042 0.000 0.893 183 T CA -0.047 61.895 62.100 -0.264 0.000 0.863 183 T CB 0.477 68.948 68.868 -0.662 0.000 1.247 183 T HN -0.202 nan 8.240 nan 0.000 0.546 184 V N 4.735 124.605 119.914 -0.074 0.000 2.409 184 V HA 0.547 4.667 4.120 -0.000 0.000 0.290 184 V C -2.531 173.550 176.094 -0.022 0.000 1.017 184 V CA -2.092 60.223 62.300 0.025 0.000 0.841 184 V CB 2.199 34.047 31.823 0.042 0.000 1.003 184 V HN 0.223 nan 8.190 nan 0.000 0.426 185 P HA 0.281 nan 4.420 nan 0.000 0.276 185 P C -0.827 176.513 177.300 0.066 0.000 1.261 185 P CA -0.492 62.639 63.100 0.051 0.000 0.800 185 P CB 1.769 33.485 31.700 0.026 0.000 1.066 186 L N 1.030 122.349 121.223 0.158 0.000 2.282 186 L HA 0.286 4.625 4.340 -0.000 0.000 0.288 186 L C 1.670 178.582 176.870 0.070 0.000 1.033 186 L CA -0.524 54.416 54.840 0.167 0.000 0.807 186 L CB 1.622 43.897 42.059 0.360 0.000 1.209 186 L HN 0.471 nan 8.230 nan 0.000 0.423 187 A N 3.337 126.160 122.820 0.004 0.000 1.927 187 A HA -0.214 4.106 4.320 -0.000 0.000 0.220 187 A C 1.951 179.498 177.584 -0.063 0.000 1.185 187 A CA 2.634 54.636 52.037 -0.059 0.000 0.639 187 A CB -0.645 18.264 19.000 -0.151 0.000 0.820 187 A HN 0.866 nan 8.150 nan 0.000 0.451 188 T N -0.633 113.899 114.554 -0.038 0.000 2.624 188 T HA -0.207 4.143 4.350 -0.000 0.000 0.268 188 T C 1.503 175.893 174.700 -0.516 0.000 1.041 188 T CA 2.097 63.992 62.100 -0.342 0.000 1.159 188 T CB -0.479 67.937 68.868 -0.753 0.000 0.863 188 T HN 0.524 nan 8.240 nan 0.000 0.434 189 F N 1.360 121.257 119.950 -0.088 0.000 2.270 189 F HA 0.013 4.540 4.527 -0.000 0.000 0.295 189 F C 2.898 178.643 175.800 -0.091 0.000 1.087 189 F CA 0.696 58.646 58.000 -0.084 0.000 1.365 189 F CB -0.504 38.449 39.000 -0.078 0.000 1.056 189 F HN 0.120 nan 8.300 nan 0.000 0.506 190 S N -0.201 115.533 115.700 0.057 0.000 2.400 190 S HA -0.187 4.283 4.470 -0.000 0.000 0.232 190 S C 1.292 175.834 174.600 -0.097 0.000 1.025 190 S CA 1.642 59.834 58.200 -0.013 0.000 0.993 190 S CB -0.439 62.745 63.200 -0.028 0.000 0.808 190 S HN 0.312 nan 8.310 nan 0.000 0.478 191 D N 0.769 121.022 120.400 -0.244 0.000 2.197 191 D HA 0.183 4.823 4.640 -0.000 0.000 0.212 191 D C 1.369 177.514 176.300 -0.259 0.000 0.963 191 D CA 0.732 54.509 54.000 -0.372 0.000 0.864 191 D CB -0.381 39.977 40.800 -0.736 0.000 1.009 191 D HN 0.535 nan 8.370 nan 0.000 0.479 192 F N 0.440 120.325 119.950 -0.110 0.000 2.776 192 F HA 0.359 4.886 4.527 -0.000 0.000 0.300 192 F C 1.239 176.986 175.800 -0.090 0.000 1.116 192 F CA 0.037 57.944 58.000 -0.155 0.000 1.375 192 F CB 0.789 39.586 39.000 -0.337 0.000 1.109 192 F HN -0.050 nan 8.300 nan 0.000 0.585 193 G N 0.732 109.612 108.800 0.133 0.000 2.617 193 G HA2 -0.175 3.785 3.960 -0.000 0.000 0.686 193 G HA3 -0.175 3.785 3.960 -0.000 0.000 0.686 193 G C -0.505 174.532 174.900 0.229 0.000 1.214 193 G CA -0.756 44.422 45.100 0.129 0.000 0.796 193 G HN 0.043 nan 8.290 nan 0.000 0.654 194 D N 0.107 120.595 120.400 0.148 0.000 2.323 194 D HA 0.054 4.694 4.640 -0.000 0.000 0.209 194 D C 0.721 177.052 176.300 0.053 0.000 0.973 194 D CA 0.746 54.790 54.000 0.074 0.000 0.874 194 D CB 0.151 40.917 40.800 -0.056 0.000 0.930 194 D HN 0.457 nan 8.370 nan 0.000 0.521 195 D N 0.304 120.767 120.400 0.104 0.000 2.344 195 D HA 0.208 4.848 4.640 -0.000 0.000 0.244 195 D C 0.483 176.885 176.300 0.170 0.000 1.134 195 D CA -0.166 53.883 54.000 0.082 0.000 0.930 195 D CB 1.979 42.833 40.800 0.090 0.000 1.175 195 D HN -0.113 nan 8.370 nan 0.000 0.437 196 V N -1.095 118.901 119.914 0.137 0.000 2.888 196 V HA 0.594 4.714 4.120 -0.000 0.000 0.309 196 V C -1.704 174.569 176.094 0.298 0.000 1.114 196 V CA -0.847 61.648 62.300 0.324 0.000 0.940 196 V CB 1.573 33.562 31.823 0.276 0.000 1.021 196 V HN 0.378 nan 8.190 nan 0.000 0.426 197 Y N 3.502 124.014 120.300 0.353 0.000 2.361 197 Y HA 0.618 5.168 4.550 -0.000 0.000 0.337 197 Y C -0.465 175.611 175.900 0.293 0.000 0.965 197 Y CA -0.861 57.409 58.100 0.284 0.000 1.091 197 Y CB 2.138 40.589 38.460 -0.016 0.000 1.182 197 Y HN 0.850 nan 8.280 nan 0.000 0.450 198 F N 4.143 124.180 119.950 0.144 0.000 2.445 198 F HA 0.517 5.044 4.527 -0.000 0.000 0.359 198 F C -0.425 175.345 175.800 -0.050 0.000 1.101 198 F CA -0.663 57.152 58.000 -0.309 0.000 1.177 198 F CB 0.501 39.329 39.000 -0.287 0.000 1.110 198 F HN 0.176 nan 8.300 nan 0.000 0.522 199 V N 6.525 126.195 119.914 -0.407 0.000 2.408 199 V HA 0.462 4.582 4.120 -0.000 0.000 0.267 199 V C 0.263 176.295 176.094 -0.103 0.000 1.047 199 V CA -0.233 61.924 62.300 -0.239 0.000 0.937 199 V CB 0.634 32.142 31.823 -0.524 0.000 0.999 199 V HN 0.892 nan 8.190 nan 0.000 0.472 200 A N 4.251 127.196 122.820 0.207 0.000 3.030 200 A HA 0.538 4.858 4.320 -0.000 0.000 0.335 200 A C -0.476 177.243 177.584 0.226 0.000 1.089 200 A CA -0.432 51.798 52.037 0.321 0.000 0.807 200 A CB 0.123 19.352 19.000 0.381 0.000 1.099 200 A HN 0.723 nan 8.150 nan 0.000 0.474 201 D N 0.549 121.034 120.400 0.142 0.000 2.646 201 D HA 0.219 4.859 4.640 -0.000 0.000 0.245 201 D C 0.273 176.622 176.300 0.082 0.000 1.099 201 D CA -0.355 53.700 54.000 0.092 0.000 0.849 201 D CB 1.644 42.461 40.800 0.028 0.000 1.448 201 D HN 0.243 nan 8.370 nan 0.000 0.489 202 Q N 2.043 121.882 119.800 0.065 0.000 2.364 202 Q HA -0.054 4.286 4.340 -0.000 0.000 0.207 202 Q C 1.552 177.554 176.000 0.003 0.000 0.970 202 Q CA 0.868 56.691 55.803 0.032 0.000 0.888 202 Q CB 0.070 28.821 28.738 0.021 0.000 0.951 202 Q HN 0.467 nan 8.270 nan 0.000 0.469 203 R N -0.034 120.470 120.500 0.006 0.000 2.189 203 R HA 0.089 4.429 4.340 -0.000 0.000 0.218 203 R C 0.704 177.010 176.300 0.011 0.000 1.074 203 R CA 0.695 56.788 56.100 -0.012 0.000 0.991 203 R CB -0.010 30.284 30.300 -0.010 0.000 0.883 203 R HN 0.270 nan 8.270 nan 0.000 0.457 204 G N -0.532 108.295 108.800 0.044 0.000 2.719 204 G HA2 -0.308 3.652 3.960 -0.000 0.000 0.686 204 G HA3 -0.308 3.652 3.960 -0.000 0.000 0.686 204 G C -0.132 174.877 174.900 0.183 0.000 1.201 204 G CA -0.288 44.866 45.100 0.089 0.000 0.768 204 G HN 0.330 nan 8.290 nan 0.000 0.629 205 Y N 0.606 120.935 120.300 0.049 0.000 2.333 205 Y HA -0.163 4.387 4.550 -0.000 0.000 0.290 205 Y C 2.796 178.765 175.900 0.116 0.000 1.144 205 Y CA 1.840 59.978 58.100 0.062 0.000 1.228 205 Y CB 0.181 38.672 38.460 0.051 0.000 0.985 205 Y HN 0.825 nan 8.280 nan 0.000 0.542 206 E N 0.275 120.659 120.200 0.307 0.000 2.331 206 E HA -0.224 4.126 4.350 -0.000 0.000 0.199 206 E C 2.003 178.839 176.600 0.393 0.000 1.008 206 E CA 0.815 57.392 56.400 0.295 0.000 0.843 206 E CB -0.356 29.565 29.700 0.368 0.000 0.761 206 E HN 0.479 nan 8.360 nan 0.000 0.507 207 A N 1.571 124.582 122.820 0.318 0.000 2.032 207 A HA -0.138 4.182 4.320 -0.000 0.000 0.221 207 A C 2.452 180.221 177.584 0.310 0.000 1.165 207 A CA 1.469 53.675 52.037 0.282 0.000 0.645 207 A CB -0.723 18.361 19.000 0.140 0.000 0.807 207 A HN 0.224 nan 8.150 nan 0.000 0.453 208 V N -0.582 119.494 119.914 0.270 0.000 2.343 208 V HA -0.234 3.886 4.120 -0.000 0.000 0.247 208 V C 2.560 178.814 176.094 0.267 0.000 1.051 208 V CA 2.033 64.473 62.300 0.234 0.000 1.036 208 V CB -0.611 31.334 31.823 0.203 0.000 0.654 208 V HN 0.411 nan 8.190 nan 0.000 0.451 209 V N -1.375 118.669 119.914 0.216 0.000 2.307 209 V HA -0.254 3.866 4.120 -0.000 0.000 0.245 209 V C 2.148 178.296 176.094 0.091 0.000 1.045 209 V CA 1.947 64.323 62.300 0.127 0.000 1.024 209 V CB -0.784 31.058 31.823 0.031 0.000 0.651 209 V HN 0.512 nan 8.190 nan 0.000 0.449 210 Y N -0.891 119.492 120.300 0.138 0.000 2.165 210 Y HA -0.310 4.240 4.550 -0.000 0.000 0.286 210 Y C 2.461 178.426 175.900 0.109 0.000 1.155 210 Y CA 2.490 60.651 58.100 0.101 0.000 1.164 210 Y CB -0.611 37.910 38.460 0.102 0.000 0.978 210 Y HN 0.355 nan 8.280 nan 0.000 0.513 211 Y N 0.222 120.641 120.300 0.198 0.000 2.114 211 Y HA -0.259 4.290 4.550 -0.000 0.000 0.284 211 Y C 2.026 177.989 175.900 0.105 0.000 1.143 211 Y CA 1.532 59.705 58.100 0.121 0.000 1.135 211 Y CB -0.709 37.806 38.460 0.091 0.000 0.980 211 Y HN 0.018 nan 8.280 nan 0.000 0.499 212 L N 0.066 121.347 121.223 0.097 0.000 2.012 212 L HA -0.266 4.074 4.340 -0.000 0.000 0.210 212 L C 2.816 179.697 176.870 0.019 0.000 1.073 212 L CA 1.381 56.236 54.840 0.025 0.000 0.748 212 L CB -1.122 41.075 42.059 0.229 0.000 0.891 212 L HN 0.393 nan 8.230 nan 0.000 0.431 213 A N 0.222 123.028 122.820 -0.024 0.000 1.933 213 A HA -0.102 4.218 4.320 -0.000 0.000 0.218 213 A C 2.345 179.681 177.584 -0.415 0.000 1.175 213 A CA 1.581 53.464 52.037 -0.256 0.000 0.628 213 A CB -1.108 17.750 19.000 -0.237 0.000 0.814 213 A HN 0.460 nan 8.150 nan 0.000 0.444 214 G N -0.920 107.754 108.800 -0.210 0.000 2.509 214 G HA2 -0.112 3.848 3.960 -0.000 0.000 0.218 214 G HA3 -0.112 3.848 3.960 -0.000 0.000 0.218 214 G C 1.317 176.103 174.900 -0.190 0.000 1.124 214 G CA 0.588 45.582 45.100 -0.176 0.000 0.776 214 G HN 0.632 nan 8.290 nan 0.000 0.547 215 Q N -0.567 119.118 119.800 -0.192 0.000 2.515 215 Q HA -0.026 4.314 4.340 -0.000 0.000 0.212 215 Q C 1.124 177.170 176.000 0.077 0.000 0.970 215 Q CA 0.880 56.629 55.803 -0.090 0.000 0.941 215 Q CB -0.079 28.600 28.738 -0.098 0.000 0.998 215 Q HN 0.985 nan 8.270 nan 0.000 0.518 216 Y N -4.683 115.569 120.300 -0.081 0.000 2.772 216 Y HA 0.346 4.895 4.550 -0.000 0.000 0.287 216 Y C -0.133 175.739 175.900 -0.045 0.000 0.985 216 Y CA -0.692 57.373 58.100 -0.058 0.000 1.207 216 Y CB 0.372 38.797 38.460 -0.057 0.000 1.425 216 Y HN -0.149 nan 8.280 nan 0.000 0.587 217 L N 2.806 123.700 121.223 -0.549 0.000 2.344 217 L HA 0.470 4.810 4.340 -0.000 0.000 0.272 217 L C -0.097 176.661 176.870 -0.187 0.000 1.035 217 L CA -1.319 53.293 54.840 -0.380 0.000 0.807 217 L CB 1.590 43.344 42.059 -0.507 0.000 1.237 217 L HN 0.076 nan 8.230 nan 0.000 0.442 218 K N 0.942 121.278 120.400 -0.108 0.000 2.298 218 K HA 0.423 4.743 4.320 -0.000 0.000 0.280 218 K C -0.326 176.241 176.600 -0.054 0.000 1.032 218 K CA -0.184 56.066 56.287 -0.062 0.000 0.958 218 K CB 0.585 33.064 32.500 -0.035 0.000 0.978 218 K HN 0.758 nan 8.250 nan 0.000 0.472 219 T N -1.422 113.111 114.554 -0.036 0.000 2.893 219 T HA 0.132 4.482 4.350 -0.000 0.000 0.291 219 T C -0.433 174.263 174.700 -0.007 0.000 1.028 219 T CA -1.111 60.979 62.100 -0.016 0.000 0.995 219 T CB 1.676 70.538 68.868 -0.010 0.000 1.051 219 T HN 0.486 nan 8.240 nan 0.000 0.470 220 D N 2.116 122.516 120.400 0.000 0.000 2.450 220 D HA -0.039 4.601 4.640 -0.000 0.000 0.247 220 D C 0.833 177.133 176.300 0.001 0.000 1.162 220 D CA -0.088 53.913 54.000 0.001 0.000 0.879 220 D CB 1.010 41.813 40.800 0.005 0.000 1.163 220 D HN 0.731 nan 8.370 nan 0.000 0.472 221 D N 4.055 124.456 120.400 0.001 0.000 2.265 221 D HA -0.203 4.437 4.640 -0.000 0.000 0.208 221 D C 1.005 177.305 176.300 0.002 0.000 0.977 221 D CA 1.288 55.289 54.000 0.001 0.000 0.871 221 D CB 0.180 40.981 40.800 0.001 0.000 0.925 221 D HN 0.419 nan 8.370 nan 0.000 0.485 222 K N 0.152 120.553 120.400 0.001 0.000 2.157 222 K HA 0.018 4.338 4.320 -0.000 0.000 0.207 222 K C 2.327 178.926 176.600 -0.001 0.000 1.030 222 K CA 0.684 56.971 56.287 0.000 0.000 0.965 222 K CB -0.384 32.117 32.500 0.000 0.000 0.877 222 K HN 0.070 nan 8.250 nan 0.000 0.460 223 S N -0.042 115.658 115.700 0.000 0.000 2.369 223 S HA -0.203 4.267 4.470 -0.000 0.000 0.225 223 S C 1.630 176.229 174.600 -0.001 0.000 1.043 223 S CA 2.653 60.853 58.200 -0.000 0.000 1.074 223 S CB -0.648 62.554 63.200 0.004 0.000 0.962 223 S HN 0.626 nan 8.310 nan 0.000 0.433 224 G N 0.563 109.365 108.800 0.004 0.000 2.217 224 G HA2 -0.233 3.727 3.960 -0.000 0.000 0.246 224 G HA3 -0.233 3.727 3.960 -0.000 0.000 0.246 224 G C 0.045 174.957 174.900 0.020 0.000 0.990 224 G CA 0.368 45.473 45.100 0.008 0.000 0.627 224 G HN 0.686 nan 8.290 nan 0.000 0.522 225 K N 0.298 120.711 120.400 0.021 0.000 2.414 225 K HA 0.429 4.749 4.320 -0.000 0.000 0.272 225 K C 0.683 177.308 176.600 0.042 0.000 0.993 225 K CA -0.240 56.073 56.287 0.044 0.000 0.964 225 K CB 0.876 33.399 32.500 0.038 0.000 0.925 225 K HN 0.297 nan 8.250 nan 0.000 0.487 226 I N 2.483 123.091 120.570 0.064 0.000 2.556 226 I HA -0.096 4.074 4.170 -0.000 0.000 0.284 226 I C 1.072 177.191 176.117 0.005 0.000 1.114 226 I CA 0.112 61.422 61.300 0.016 0.000 1.418 226 I CB 0.768 38.766 38.000 -0.005 0.000 1.394 226 I HN 0.451 nan 8.210 nan 0.000 0.552 227 V N 0.603 120.509 119.914 -0.013 0.000 3.398 227 V HA 0.225 4.345 4.120 -0.000 0.000 0.298 227 V C 0.419 176.502 176.094 -0.019 0.000 1.496 227 V CA -0.445 61.850 62.300 -0.009 0.000 1.044 227 V CB 0.077 31.898 31.823 -0.003 0.000 0.880 227 V HN 0.700 nan 8.190 nan 0.000 0.443 228 D N 3.975 124.353 120.400 -0.037 0.000 2.487 228 D HA 0.118 4.758 4.640 -0.000 0.000 0.243 228 D C -1.139 175.142 176.300 -0.031 0.000 1.154 228 D CA -1.138 52.839 54.000 -0.040 0.000 0.876 228 D CB 2.089 42.847 40.800 -0.069 0.000 1.161 228 D HN 0.237 nan 8.370 nan 0.000 0.478 229 P HA -0.049 nan 4.420 nan 0.000 0.234 229 P C 0.895 178.184 177.300 -0.018 0.000 1.167 229 P CA 0.453 63.546 63.100 -0.011 0.000 0.763 229 P CB 0.300 32.001 31.700 0.001 0.000 0.835 230 R N -0.870 119.616 120.500 -0.023 0.000 2.280 230 R HA 0.063 4.403 4.340 -0.000 0.000 0.207 230 R C 0.636 176.905 176.300 -0.050 0.000 1.043 230 R CA 0.105 56.189 56.100 -0.026 0.000 1.006 230 R CB -0.276 30.022 30.300 -0.003 0.000 0.885 230 R HN 0.168 nan 8.270 nan 0.000 0.467 231 L N 1.471 122.659 121.223 -0.058 0.000 2.280 231 L HA 0.235 4.575 4.340 -0.000 0.000 0.287 231 L C -1.136 175.691 176.870 -0.072 0.000 1.023 231 L CA -0.244 54.551 54.840 -0.075 0.000 0.819 231 L CB 1.574 43.584 42.059 -0.082 0.000 1.212 231 L HN -0.125 nan 8.230 nan 0.000 0.420 232 Q N 6.031 125.774 119.800 -0.096 0.000 2.341 232 Q HA 0.476 4.816 4.340 -0.000 0.000 0.268 232 Q C -0.905 175.037 176.000 -0.096 0.000 1.013 232 Q CA -0.388 55.366 55.803 -0.082 0.000 0.798 232 Q CB 2.323 31.002 28.738 -0.098 0.000 1.253 232 Q HN 0.695 nan 8.270 nan 0.000 0.457 233 L N 1.752 122.932 121.223 -0.071 0.000 2.454 233 L HA 0.357 4.696 4.340 -0.000 0.000 0.256 233 L C 0.755 177.577 176.870 -0.081 0.000 1.136 233 L CA -0.643 54.145 54.840 -0.088 0.000 0.804 233 L CB 0.424 42.451 42.059 -0.052 0.000 1.181 233 L HN 0.654 nan 8.230 nan 0.000 0.469 234 N N 0.182 118.814 118.700 -0.113 0.000 2.725 234 N HA -0.152 4.588 4.740 -0.000 0.000 0.249 234 N C -0.805 174.653 175.510 -0.086 0.000 1.103 234 N CA 0.858 53.854 53.050 -0.091 0.000 0.707 234 N CB -0.835 37.635 38.487 -0.028 0.000 1.043 234 N HN 0.448 nan 8.380 nan 0.000 0.553 235 K N 0.914 121.235 120.400 -0.132 0.000 2.404 235 K HA 0.376 4.696 4.320 -0.000 0.000 0.257 235 K C -0.262 176.247 176.600 -0.151 0.000 1.026 235 K CA -0.452 55.777 56.287 -0.097 0.000 0.951 235 K CB 1.470 33.900 32.500 -0.116 0.000 1.203 235 K HN -0.109 nan 8.250 nan 0.000 0.446 236 V N 4.226 124.074 119.914 -0.110 0.000 2.372 236 V HA 0.104 4.224 4.120 -0.000 0.000 0.261 236 V C 0.566 176.627 176.094 -0.055 0.000 1.055 236 V CA -0.831 61.396 62.300 -0.121 0.000 0.930 236 V CB 1.026 32.850 31.823 0.001 0.000 1.031 236 V HN 0.314 nan 8.190 nan 0.000 0.479 237 V N 7.605 127.469 119.914 -0.085 0.000 2.585 237 V HA 0.222 4.342 4.120 -0.000 0.000 0.296 237 V C 1.208 177.273 176.094 -0.049 0.000 1.035 237 V CA 0.046 62.310 62.300 -0.061 0.000 1.084 237 V CB 1.001 32.767 31.823 -0.094 0.000 0.953 237 V HN 0.818 nan 8.190 nan 0.000 0.483 238 R N 2.379 122.852 120.500 -0.045 0.000 2.453 238 R HA 0.348 4.688 4.340 -0.000 0.000 0.233 238 R C 0.306 176.551 176.300 -0.091 0.000 0.895 238 R CA 0.019 56.091 56.100 -0.047 0.000 1.028 238 R CB 0.833 31.125 30.300 -0.014 0.000 1.255 238 R HN 0.803 nan 8.270 nan 0.000 0.571 239 E N 0.522 120.658 120.200 -0.106 0.000 2.304 239 E HA 0.437 4.787 4.350 -0.000 0.000 0.277 239 E C -1.382 175.131 176.600 -0.145 0.000 0.898 239 E CA -0.399 55.921 56.400 -0.134 0.000 0.764 239 E CB 1.937 31.598 29.700 -0.066 0.000 1.216 239 E HN -0.068 nan 8.360 nan 0.000 0.419 240 I N 3.888 124.325 120.570 -0.221 0.000 2.439 240 I HA 0.336 4.506 4.170 -0.000 0.000 0.283 240 I C -0.547 175.621 176.117 0.085 0.000 1.023 240 I CA -0.647 60.584 61.300 -0.115 0.000 1.100 240 I CB 1.758 39.598 38.000 -0.266 0.000 1.238 240 I HN 0.244 nan 8.210 nan 0.000 0.445 241 K N 6.609 127.077 120.400 0.112 0.000 2.206 241 K HA 0.605 4.925 4.320 -0.000 0.000 0.264 241 K C -1.510 175.204 176.600 0.190 0.000 0.967 241 K CA -0.486 55.861 56.287 0.101 0.000 0.844 241 K CB 1.418 33.928 32.500 0.017 0.000 1.099 241 K HN 0.489 nan 8.250 nan 0.000 0.441 242 Y N -0.626 119.698 120.300 0.041 0.000 2.588 242 Y HA 0.697 5.247 4.550 -0.000 0.000 0.343 242 Y C -0.656 175.254 175.900 0.017 0.000 1.065 242 Y CA -1.106 57.011 58.100 0.028 0.000 1.038 242 Y CB 1.647 40.139 38.460 0.053 0.000 1.297 242 Y HN 0.538 nan 8.280 nan 0.000 0.467 243 S N -0.539 115.209 115.700 0.080 0.000 2.656 243 S HA 0.549 5.019 4.470 -0.000 0.000 0.273 243 S C -2.783 171.855 174.600 0.064 0.000 1.168 243 S CA -1.496 56.708 58.200 0.005 0.000 0.817 243 S CB 1.657 64.841 63.200 -0.027 0.000 1.146 243 S HN 0.406 nan 8.310 nan 0.000 0.475 244 P HA 0.141 nan 4.420 nan 0.000 0.222 244 P C 1.304 178.608 177.300 0.006 0.000 1.147 244 P CA 1.404 64.529 63.100 0.042 0.000 0.790 244 P CB -0.387 31.332 31.700 0.032 0.000 0.780 245 G N -1.720 107.074 108.800 -0.011 0.000 2.662 245 G HA2 0.410 4.370 3.960 -0.000 0.000 0.212 245 G HA3 0.410 4.370 3.960 -0.000 0.000 0.212 245 G C 0.652 175.503 174.900 -0.082 0.000 1.141 245 G CA 0.625 45.703 45.100 -0.038 0.000 0.797 245 G HN 0.555 nan 8.290 nan 0.000 0.531 246 G N -1.440 107.317 108.800 -0.070 0.000 2.348 246 G HA2 0.542 4.502 3.960 -0.000 0.000 0.296 246 G HA3 0.542 4.502 3.960 -0.000 0.000 0.296 246 G C -1.617 173.267 174.900 -0.026 0.000 1.258 246 G CA 0.269 45.303 45.100 -0.110 0.000 0.868 246 G HN 1.105 nan 8.290 nan 0.000 0.488 247 V N -3.378 116.528 119.914 -0.013 0.000 3.159 247 V HA 0.987 5.107 4.120 -0.000 0.000 0.308 247 V C -0.646 175.474 176.094 0.042 0.000 1.190 247 V CA -0.533 61.798 62.300 0.053 0.000 1.037 247 V CB 1.523 33.391 31.823 0.075 0.000 1.060 247 V HN 1.165 nan 8.190 nan 0.000 0.437 248 T N 1.498 116.086 114.554 0.057 0.000 2.893 248 T HA 0.768 5.118 4.350 -0.000 0.000 0.293 248 T C -0.996 173.737 174.700 0.055 0.000 1.027 248 T CA -0.493 61.637 62.100 0.049 0.000 0.988 248 T CB 1.743 70.624 68.868 0.023 0.000 1.043 248 T HN 0.896 nan 8.240 nan 0.000 0.461 249 V N 3.297 123.260 119.914 0.082 0.000 2.638 249 V HA 0.511 4.631 4.120 -0.000 0.000 0.306 249 V C -0.601 175.570 176.094 0.129 0.000 1.052 249 V CA -0.979 61.367 62.300 0.076 0.000 0.885 249 V CB 2.036 33.902 31.823 0.072 0.000 0.999 249 V HN 0.742 nan 8.190 nan 0.000 0.424 250 K N 2.464 122.899 120.400 0.059 0.000 2.270 250 K HA 0.709 5.029 4.320 -0.000 0.000 0.255 250 K C -0.188 176.446 176.600 0.057 0.000 0.936 250 K CA -0.629 55.690 56.287 0.053 0.000 0.809 250 K CB 2.269 34.769 32.500 -0.000 0.000 1.131 250 K HN 0.834 nan 8.250 nan 0.000 0.427 251 T N -1.941 112.669 114.554 0.093 0.000 2.943 251 T HA 0.172 4.522 4.350 -0.000 0.000 0.284 251 T C 1.105 175.827 174.700 0.037 0.000 1.015 251 T CA -0.824 61.319 62.100 0.072 0.000 1.042 251 T CB 1.753 70.700 68.868 0.130 0.000 1.055 251 T HN 0.697 nan 8.240 nan 0.000 0.500 252 E N 0.461 120.678 120.200 0.029 0.000 2.160 252 E HA -0.214 4.136 4.350 -0.000 0.000 0.195 252 E C 1.158 177.772 176.600 0.024 0.000 0.991 252 E CA 1.618 58.035 56.400 0.028 0.000 0.810 252 E CB -0.108 29.619 29.700 0.045 0.000 0.742 252 E HN 0.840 nan 8.360 nan 0.000 0.466 253 D N -0.660 119.756 120.400 0.028 0.000 2.352 253 D HA -0.119 4.521 4.640 -0.000 0.000 0.232 253 D C 0.086 176.389 176.300 0.005 0.000 1.055 253 D CA 0.298 54.309 54.000 0.020 0.000 0.891 253 D CB -0.119 40.697 40.800 0.026 0.000 0.897 253 D HN 0.142 nan 8.370 nan 0.000 0.529 254 N N -1.316 117.384 118.700 0.001 0.000 2.984 254 N HA -0.155 4.585 4.740 -0.000 0.000 0.227 254 N C -0.706 174.767 175.510 -0.063 0.000 0.903 254 N CA 0.764 53.799 53.050 -0.024 0.000 0.995 254 N CB -1.726 36.746 38.487 -0.026 0.000 1.065 254 N HN 0.175 nan 8.380 nan 0.000 0.585 255 S N 0.425 116.087 115.700 -0.064 0.000 2.579 255 S HA 0.462 4.932 4.470 -0.000 0.000 0.275 255 S C 0.553 174.969 174.600 -0.307 0.000 1.345 255 S CA -0.204 57.861 58.200 -0.224 0.000 1.031 255 S CB 2.138 65.231 63.200 -0.177 0.000 0.892 255 S HN 0.128 nan 8.310 nan 0.000 0.529 256 V N 2.569 122.150 119.914 -0.556 0.000 2.709 256 V HA 0.523 4.643 4.120 -0.000 0.000 0.308 256 V C -1.480 174.254 176.094 -0.601 0.000 1.062 256 V CA -0.646 61.431 62.300 -0.371 0.000 0.901 256 V CB 1.376 33.084 31.823 -0.192 0.000 1.003 256 V HN 0.853 nan 8.190 nan 0.000 0.425 257 Y N 0.932 121.218 120.300 -0.024 0.000 2.576 257 Y HA 0.749 5.299 4.550 -0.000 0.000 0.346 257 Y C 0.336 176.225 175.900 -0.018 0.000 1.018 257 Y CA -0.745 57.343 58.100 -0.021 0.000 1.050 257 Y CB 2.584 41.030 38.460 -0.023 0.000 1.280 257 Y HN 0.544 nan 8.280 nan 0.000 0.474 258 S N 0.610 116.401 115.700 0.151 0.000 2.568 258 S HA 0.961 5.431 4.470 -0.000 0.000 0.293 258 S C -1.007 173.633 174.600 0.066 0.000 1.089 258 S CA -0.666 57.579 58.200 0.074 0.000 0.945 258 S CB 2.019 65.240 63.200 0.035 0.000 1.077 258 S HN 0.878 nan 8.310 nan 0.000 0.485 259 A N 0.854 123.694 122.820 0.033 0.000 2.536 259 A HA 0.647 4.967 4.320 -0.000 0.000 0.293 259 A C -0.780 176.785 177.584 -0.030 0.000 1.119 259 A CA -0.610 51.440 52.037 0.023 0.000 0.654 259 A CB 0.285 19.308 19.000 0.039 0.000 1.291 259 A HN 0.617 nan 8.150 nan 0.000 0.439 260 D N -1.024 119.347 120.400 -0.048 0.000 2.271 260 D HA 0.198 4.838 4.640 -0.000 0.000 0.206 260 D C -0.544 175.340 176.300 -0.693 0.000 0.967 260 D CA 1.886 55.717 54.000 -0.282 0.000 0.867 260 D CB 0.144 40.873 40.800 -0.118 0.000 0.960 260 D HN 0.437 nan 8.370 nan 0.000 0.509 261 Y N -1.266 119.044 120.300 0.017 0.000 2.625 261 Y HA 0.433 4.983 4.550 -0.000 0.000 0.338 261 Y C -0.639 175.261 175.900 0.000 0.000 1.123 261 Y CA -1.139 56.978 58.100 0.029 0.000 1.046 261 Y CB 2.210 40.647 38.460 -0.039 0.000 1.299 261 Y HN -0.369 nan 8.280 nan 0.000 0.464 262 V N 2.940 122.967 119.914 0.189 0.000 2.841 262 V HA 0.714 4.834 4.120 -0.000 0.000 0.310 262 V C -1.593 174.517 176.094 0.027 0.000 1.090 262 V CA -0.757 61.578 62.300 0.058 0.000 0.930 262 V CB 1.900 33.732 31.823 0.014 0.000 1.014 262 V HN 0.751 nan 8.190 nan 0.000 0.425 263 M N 7.471 127.051 119.600 -0.034 0.000 2.078 263 M HA 0.605 5.085 4.480 -0.000 0.000 0.320 263 M C -1.524 174.723 176.300 -0.088 0.000 0.969 263 M CA -0.186 55.076 55.300 -0.063 0.000 0.929 263 M CB 1.308 33.863 32.600 -0.075 0.000 1.504 263 M HN 0.368 nan 8.290 nan 0.000 0.419 264 V N 4.811 124.628 119.914 -0.162 0.000 2.385 264 V HA 0.380 4.500 4.120 -0.000 0.000 0.269 264 V C 0.702 176.838 176.094 0.070 0.000 1.043 264 V CA 0.170 62.437 62.300 -0.056 0.000 0.906 264 V CB 0.717 32.503 31.823 -0.062 0.000 0.995 264 V HN 1.011 nan 8.190 nan 0.000 0.467 265 S N 3.356 119.096 115.700 0.066 0.000 2.539 265 S HA 0.350 4.820 4.470 -0.000 0.000 0.221 265 S C 0.883 175.572 174.600 0.149 0.000 0.987 265 S CA 0.273 58.534 58.200 0.102 0.000 0.929 265 S CB 0.322 63.548 63.200 0.045 0.000 0.832 265 S HN 0.929 nan 8.310 nan 0.000 0.492 266 A N 2.655 125.547 122.820 0.121 0.000 2.507 266 A HA 0.521 4.841 4.320 -0.000 0.000 0.235 266 A C 0.880 178.542 177.584 0.130 0.000 1.070 266 A CA 0.191 52.276 52.037 0.080 0.000 0.768 266 A CB -0.203 18.825 19.000 0.046 0.000 1.011 266 A HN 0.986 nan 8.150 nan 0.000 0.502 267 S N 1.291 117.028 115.700 0.060 0.000 2.580 267 S HA 0.111 4.581 4.470 -0.000 0.000 0.266 267 S C 1.113 175.534 174.600 -0.299 0.000 1.354 267 S CA 0.213 58.400 58.200 -0.021 0.000 1.008 267 S CB 0.259 63.501 63.200 0.069 0.000 0.898 267 S HN 1.394 nan 8.310 nan 0.000 0.555 268 L N 2.721 123.531 121.223 -0.688 0.000 2.042 268 L HA 0.098 4.438 4.340 -0.000 0.000 0.210 268 L C 2.400 179.125 176.870 -0.241 0.000 1.076 268 L CA 2.572 57.049 54.840 -0.605 0.000 0.749 268 L CB -1.565 40.239 42.059 -0.424 0.000 0.893 268 L HN 0.977 nan 8.230 nan 0.000 0.432 269 G N -1.052 107.687 108.800 -0.101 0.000 2.440 269 G HA2 -0.228 3.732 3.960 -0.000 0.000 0.218 269 G HA3 -0.228 3.732 3.960 -0.000 0.000 0.218 269 G C 1.539 176.436 174.900 -0.005 0.000 1.154 269 G CA 1.139 46.240 45.100 0.003 0.000 0.767 269 G HN 0.358 nan 8.290 nan 0.000 0.552 270 V N 0.778 120.683 119.914 -0.015 0.000 2.427 270 V HA -0.076 4.044 4.120 -0.000 0.000 0.248 270 V C 2.873 178.967 176.094 0.000 0.000 1.051 270 V CA 1.262 63.563 62.300 0.002 0.000 1.048 270 V CB -0.309 31.517 31.823 0.005 0.000 0.666 270 V HN 0.345 nan 8.190 nan 0.000 0.456 271 L N -0.574 120.618 121.223 -0.052 0.000 2.141 271 L HA -0.193 4.147 4.340 -0.000 0.000 0.209 271 L C 2.505 179.285 176.870 -0.150 0.000 1.094 271 L CA 1.401 56.208 54.840 -0.055 0.000 0.763 271 L CB -0.445 41.523 42.059 -0.152 0.000 0.908 271 L HN 0.405 nan 8.230 nan 0.000 0.437 272 Q N -0.809 118.864 119.800 -0.212 0.000 2.435 272 Q HA -0.088 4.252 4.340 -0.000 0.000 0.207 272 Q C 2.107 178.183 176.000 0.126 0.000 0.956 272 Q CA 1.202 56.829 55.803 -0.293 0.000 0.917 272 Q CB 0.131 28.754 28.738 -0.192 0.000 0.997 272 Q HN 0.513 nan 8.270 nan 0.000 0.497 273 S N -0.623 115.127 115.700 0.083 0.000 2.558 273 S HA -0.012 4.458 4.470 -0.000 0.000 0.217 273 S C 0.195 174.859 174.600 0.105 0.000 0.975 273 S CA 0.340 58.603 58.200 0.104 0.000 0.912 273 S CB 0.335 63.560 63.200 0.042 0.000 0.776 273 S HN 0.227 nan 8.310 nan 0.000 0.526 274 D N -0.555 119.923 120.400 0.130 0.000 3.028 274 D HA -0.143 4.497 4.640 -0.000 0.000 0.207 274 D C 0.537 176.875 176.300 0.063 0.000 1.100 274 D CA 0.896 54.962 54.000 0.110 0.000 0.995 274 D CB -1.717 39.140 40.800 0.095 0.000 1.108 274 D HN 0.482 nan 8.370 nan 0.000 0.421 275 L N 0.342 121.594 121.223 0.049 0.000 2.083 275 L HA 0.075 4.415 4.340 -0.000 0.000 0.209 275 L C 0.795 177.672 176.870 0.012 0.000 1.083 275 L CA 1.672 56.530 54.840 0.029 0.000 0.752 275 L CB 0.030 42.114 42.059 0.041 0.000 0.899 275 L HN 0.191 nan 8.230 nan 0.000 0.433 276 I N 0.479 121.052 120.570 0.006 0.000 2.339 276 I HA 0.215 4.385 4.170 -0.000 0.000 0.290 276 I C -0.054 175.988 176.117 -0.125 0.000 0.994 276 I CA -0.301 60.933 61.300 -0.111 0.000 1.191 276 I CB 1.276 39.143 38.000 -0.223 0.000 1.343 276 I HN 0.147 nan 8.210 nan 0.000 0.458 277 Q N 6.104 125.813 119.800 -0.151 0.000 2.274 277 Q HA 0.402 4.742 4.340 -0.000 0.000 0.256 277 Q C -1.556 174.331 176.000 -0.188 0.000 0.927 277 Q CA -0.446 55.319 55.803 -0.063 0.000 0.939 277 Q CB 0.916 29.638 28.738 -0.027 0.000 1.201 277 Q HN 0.452 nan 8.270 nan 0.000 0.426 278 F N 2.887 122.900 119.950 0.105 0.000 2.399 278 F HA 0.451 4.978 4.527 -0.000 0.000 0.334 278 F C 0.216 176.113 175.800 0.162 0.000 1.097 278 F CA -0.480 57.632 58.000 0.188 0.000 1.076 278 F CB 1.517 40.655 39.000 0.229 0.000 1.162 278 F HN 0.386 nan 8.300 nan 0.000 0.495 279 K N 5.207 125.787 120.400 0.300 0.000 2.637 279 K HA 0.351 4.670 4.320 -0.000 0.000 0.248 279 K C -2.904 173.520 176.600 -0.293 0.000 0.971 279 K CA -1.984 54.328 56.287 0.042 0.000 0.858 279 K CB 1.909 34.412 32.500 0.005 0.000 1.170 279 K HN 0.202 nan 8.250 nan 0.000 0.443 280 P HA 0.052 nan 4.420 nan 0.000 0.275 280 P C -0.873 176.512 177.300 0.143 0.000 1.266 280 P CA -0.356 62.665 63.100 -0.131 0.000 0.793 280 P CB 0.760 32.363 31.700 -0.161 0.000 1.074 281 K N 0.234 120.712 120.400 0.131 0.000 2.485 281 K HA 0.093 4.413 4.320 -0.000 0.000 0.277 281 K C 0.259 176.944 176.600 0.141 0.000 0.990 281 K CA -0.416 55.968 56.287 0.162 0.000 0.994 281 K CB -0.158 32.390 32.500 0.081 0.000 0.906 281 K HN 0.268 nan 8.250 nan 0.000 0.488 282 L N 4.727 125.976 121.223 0.043 0.000 2.483 282 L HA 0.052 4.392 4.340 -0.000 0.000 0.276 282 L C -1.775 174.981 176.870 -0.191 0.000 1.213 282 L CA -1.394 53.346 54.840 -0.166 0.000 0.843 282 L CB -0.570 41.244 42.059 -0.408 0.000 1.107 282 L HN 0.572 nan 8.230 nan 0.000 0.487 283 P HA 0.097 nan 4.420 nan 0.000 0.272 283 P C 0.590 177.649 177.300 -0.400 0.000 1.230 283 P CA -0.225 62.716 63.100 -0.265 0.000 0.788 283 P CB 0.325 31.885 31.700 -0.233 0.000 0.949 284 T N 0.537 114.990 114.554 -0.167 0.000 2.699 284 T HA -0.157 4.193 4.350 -0.000 0.000 0.268 284 T C 1.577 176.209 174.700 -0.113 0.000 1.036 284 T CA 1.756 63.801 62.100 -0.092 0.000 1.147 284 T CB -0.608 68.274 68.868 0.024 0.000 0.862 284 T HN 0.628 nan 8.240 nan 0.000 0.446 285 W N 2.497 123.789 121.300 -0.014 0.000 2.342 285 W HA -0.080 4.580 4.660 -0.000 0.000 0.297 285 W C 1.912 178.385 176.519 -0.076 0.000 1.213 285 W CA 1.243 58.573 57.345 -0.025 0.000 1.251 285 W CB -0.904 28.546 29.460 -0.018 0.000 1.136 285 W HN 0.172 nan 8.180 nan 0.000 0.526 286 K N 1.642 121.324 120.400 -1.195 0.000 2.031 286 K HA -0.089 4.231 4.320 -0.000 0.000 0.205 286 K C 2.008 178.273 176.600 -0.559 0.000 1.049 286 K CA 2.291 57.876 56.287 -1.171 0.000 0.939 286 K CB -0.896 30.648 32.500 -1.594 0.000 0.717 286 K HN 0.023 nan 8.250 nan 0.000 0.438 287 V N 1.753 121.422 119.914 -0.408 0.000 2.332 287 V HA -0.231 3.888 4.120 -0.000 0.000 0.248 287 V C 2.457 178.558 176.094 0.011 0.000 1.055 287 V CA 2.074 64.287 62.300 -0.144 0.000 1.038 287 V CB -0.481 31.314 31.823 -0.048 0.000 0.651 287 V HN 0.329 nan 8.190 nan 0.000 0.450 288 R N -0.059 120.437 120.500 -0.006 0.000 2.092 288 R HA -0.084 4.256 4.340 -0.000 0.000 0.231 288 R C 2.417 178.743 176.300 0.044 0.000 1.119 288 R CA 1.413 57.553 56.100 0.067 0.000 0.970 288 R CB -0.578 29.767 30.300 0.075 0.000 0.864 288 R HN 0.543 nan 8.270 nan 0.000 0.440 289 A N 1.388 124.192 122.820 -0.025 0.000 1.930 289 A HA -0.115 4.205 4.320 -0.000 0.000 0.217 289 A C 2.162 179.679 177.584 -0.113 0.000 1.175 289 A CA 1.030 53.036 52.037 -0.052 0.000 0.627 289 A CB -0.412 18.530 19.000 -0.098 0.000 0.815 289 A HN 0.150 nan 8.150 nan 0.000 0.443 290 I N -1.956 118.480 120.570 -0.223 0.000 2.179 290 I HA -0.292 3.878 4.170 -0.000 0.000 0.242 290 I C 2.284 178.228 176.117 -0.288 0.000 1.088 290 I CA 1.624 62.719 61.300 -0.342 0.000 1.357 290 I CB -0.407 37.268 38.000 -0.542 0.000 1.051 290 I HN 0.424 nan 8.210 nan 0.000 0.409 291 Y N 0.491 120.761 120.300 -0.051 0.000 2.439 291 Y HA -0.137 4.413 4.550 -0.000 0.000 0.292 291 Y C 2.574 178.481 175.900 0.012 0.000 1.130 291 Y CA 0.738 58.830 58.100 -0.014 0.000 1.254 291 Y CB -0.163 38.285 38.460 -0.019 0.000 1.000 291 Y HN 0.217 nan 8.280 nan 0.000 0.554 292 Q N -0.984 118.899 119.800 0.138 0.000 2.311 292 Q HA -0.062 4.278 4.340 -0.000 0.000 0.203 292 Q C 0.135 176.198 176.000 0.105 0.000 0.954 292 Q CA 0.329 56.200 55.803 0.113 0.000 0.885 292 Q CB 0.103 28.905 28.738 0.108 0.000 0.963 292 Q HN 0.283 nan 8.270 nan 0.000 0.471 293 F N 1.262 121.167 119.950 -0.076 0.000 2.378 293 F HA 0.097 4.624 4.527 -0.000 0.000 0.319 293 F C 0.053 175.819 175.800 -0.056 0.000 1.155 293 F CA -0.562 57.377 58.000 -0.102 0.000 1.157 293 F CB 0.883 39.804 39.000 -0.131 0.000 1.252 293 F HN -0.146 nan 8.300 nan 0.000 0.550 294 D N 2.849 123.051 120.400 -0.330 0.000 2.168 294 D HA 0.277 4.917 4.640 -0.000 0.000 0.246 294 D C -0.817 175.459 176.300 -0.040 0.000 1.050 294 D CA -0.231 53.676 54.000 -0.155 0.000 0.857 294 D CB 1.691 42.362 40.800 -0.215 0.000 1.169 294 D HN 0.314 nan 8.370 nan 0.000 0.453 295 M N 2.600 122.199 119.600 -0.001 0.000 2.047 295 M HA 0.530 5.010 4.480 -0.000 0.000 0.342 295 M C -0.810 175.467 176.300 -0.039 0.000 1.058 295 M CA -0.492 54.818 55.300 0.017 0.000 0.991 295 M CB 0.729 33.355 32.600 0.043 0.000 1.474 295 M HN 0.366 nan 8.290 nan 0.000 0.419 296 A N 4.136 126.885 122.820 -0.118 0.000 2.272 296 A HA 0.818 5.138 4.320 -0.000 0.000 0.275 296 A C -0.900 176.493 177.584 -0.318 0.000 1.096 296 A CA -0.632 51.272 52.037 -0.222 0.000 0.822 296 A CB 0.720 19.570 19.000 -0.249 0.000 1.088 296 A HN 0.716 nan 8.150 nan 0.000 0.495 297 V N -0.142 119.610 119.914 -0.269 0.000 2.709 297 V HA 0.457 4.577 4.120 -0.000 0.000 0.308 297 V C -1.294 174.745 176.094 -0.091 0.000 1.062 297 V CA -0.317 61.891 62.300 -0.154 0.000 0.901 297 V CB 1.423 33.224 31.823 -0.037 0.000 1.003 297 V HN 0.808 nan 8.190 nan 0.000 0.425 298 Y N 2.238 122.422 120.300 -0.194 0.000 2.322 298 Y HA 0.603 5.153 4.550 -0.000 0.000 0.324 298 Y C -0.168 175.803 175.900 0.118 0.000 1.027 298 Y CA -0.196 57.886 58.100 -0.030 0.000 1.179 298 Y CB 1.919 40.375 38.460 -0.006 0.000 1.136 298 Y HN 0.666 nan 8.280 nan 0.000 0.449 299 T N 6.684 121.280 114.554 0.070 0.000 2.756 299 T HA 0.325 4.675 4.350 -0.000 0.000 0.290 299 T C -0.678 174.034 174.700 0.020 0.000 0.985 299 T CA -0.825 61.363 62.100 0.146 0.000 0.955 299 T CB 0.527 69.456 68.868 0.101 0.000 0.930 299 T HN 0.477 nan 8.240 nan 0.000 0.451 300 K N 3.757 124.252 120.400 0.158 0.000 2.250 300 K HA 0.385 4.705 4.320 -0.000 0.000 0.280 300 K C -0.410 176.115 176.600 -0.125 0.000 1.098 300 K CA -0.254 56.034 56.287 0.002 0.000 0.916 300 K CB 0.502 33.149 32.500 0.245 0.000 1.209 300 K HN 0.557 nan 8.250 nan 0.000 0.461 301 I N 4.238 124.662 120.570 -0.244 0.000 2.297 301 I HA 0.203 4.373 4.170 -0.000 0.000 0.291 301 I C -0.287 175.628 176.117 -0.336 0.000 1.033 301 I CA -0.589 60.607 61.300 -0.173 0.000 1.253 301 I CB 0.257 38.200 38.000 -0.095 0.000 1.396 301 I HN 0.308 nan 8.210 nan 0.000 0.476 302 F N 6.709 126.510 119.950 -0.248 0.000 2.379 302 F HA 0.615 5.142 4.527 -0.000 0.000 0.332 302 F C 0.001 175.601 175.800 -0.333 0.000 1.096 302 F CA -0.477 57.288 58.000 -0.391 0.000 1.105 302 F CB 1.130 39.546 39.000 -0.974 0.000 1.189 302 F HN 0.180 nan 8.300 nan 0.000 0.515 303 L N 2.733 124.084 121.223 0.212 0.000 2.431 303 L HA 0.463 4.803 4.340 -0.000 0.000 0.266 303 L C -0.715 176.370 176.870 0.358 0.000 0.978 303 L CA -0.777 54.209 54.840 0.243 0.000 0.822 303 L CB 2.294 44.453 42.059 0.167 0.000 1.310 303 L HN 0.489 nan 8.230 nan 0.000 0.409 304 K N 2.347 122.845 120.400 0.164 0.000 2.244 304 K HA 0.688 5.008 4.320 -0.000 0.000 0.260 304 K C -1.608 174.825 176.600 -0.278 0.000 0.951 304 K CA -0.428 55.883 56.287 0.040 0.000 0.826 304 K CB 1.140 33.536 32.500 -0.174 0.000 1.108 304 K HN 0.303 nan 8.250 nan 0.000 0.433 305 F N 3.844 123.967 119.950 0.288 0.000 2.556 305 F HA 0.384 4.911 4.527 -0.000 0.000 0.327 305 F C -1.516 174.396 175.800 0.186 0.000 1.059 305 F CA -2.415 55.756 58.000 0.285 0.000 0.953 305 F CB 1.467 40.745 39.000 0.463 0.000 1.227 305 F HN 0.492 nan 8.300 nan 0.000 0.478 306 P HA -0.045 nan 4.420 nan 0.000 0.223 306 P C -0.773 176.625 177.300 0.162 0.000 1.151 306 P CA 1.047 64.262 63.100 0.191 0.000 0.787 306 P CB 0.188 31.982 31.700 0.156 0.000 0.788 307 R N -2.498 118.128 120.500 0.209 0.000 2.687 307 R HA 0.364 4.704 4.340 -0.000 0.000 0.265 307 R C -1.026 175.198 176.300 -0.127 0.000 1.048 307 R CA -1.126 54.997 56.100 0.037 0.000 0.884 307 R CB 0.842 31.145 30.300 0.005 0.000 1.258 307 R HN -0.289 nan 8.270 nan 0.000 0.469 308 K N 1.584 121.675 120.400 -0.515 0.000 2.295 308 K HA 0.172 4.492 4.320 -0.000 0.000 0.270 308 K C -0.674 175.257 176.600 -1.115 0.000 1.011 308 K CA -0.203 55.201 56.287 -1.472 0.000 0.953 308 K CB 0.363 32.054 32.500 -1.349 0.000 0.956 308 K HN 0.671 nan 8.250 nan 0.000 0.477 309 F N 0.052 119.240 119.950 -1.270 0.000 3.031 309 F HA 0.311 4.838 4.527 -0.000 0.000 0.365 309 F C -0.918 174.348 175.800 -0.889 0.000 1.128 309 F CA -1.304 56.238 58.000 -0.763 0.000 1.068 309 F CB -0.683 38.000 39.000 -0.528 0.000 1.280 309 F HN 0.461 nan 8.300 nan 0.000 0.529 310 W N 1.134 121.754 121.300 -1.134 0.000 2.576 310 W HA 0.910 5.570 4.660 -0.000 0.000 0.360 310 W C -2.962 173.214 176.519 -0.572 0.000 1.109 310 W CA -3.056 53.631 57.345 -1.096 0.000 1.237 310 W CB -0.527 28.230 29.460 -1.172 0.000 1.369 310 W HN -0.339 nan 8.180 nan 0.000 0.609 311 P HA 0.151 nan 4.420 nan 0.000 0.271 311 P C -0.879 176.397 177.300 -0.040 0.000 1.218 311 P CA 0.010 63.046 63.100 -0.106 0.000 0.780 311 P CB 0.804 32.493 31.700 -0.019 0.000 0.901 312 E N 0.488 120.631 120.200 -0.095 0.000 2.340 312 E HA 0.700 5.050 4.350 -0.000 0.000 0.273 312 E C -0.307 176.240 176.600 -0.088 0.000 0.891 312 E CA -0.896 55.465 56.400 -0.065 0.000 0.757 312 E CB 2.287 31.938 29.700 -0.082 0.000 1.231 312 E HN 0.671 nan 8.360 nan 0.000 0.439 313 G N 1.452 110.192 108.800 -0.099 0.000 2.346 313 G HA2 -0.067 3.892 3.960 -0.000 0.000 0.294 313 G HA3 -0.067 3.892 3.960 -0.000 0.000 0.294 313 G C -1.263 173.541 174.900 -0.160 0.000 1.294 313 G CA -1.089 43.943 45.100 -0.113 0.000 0.962 313 G HN 0.410 nan 8.290 nan 0.000 0.508 314 K N 0.337 120.623 120.400 -0.191 0.000 2.484 314 K HA 0.397 4.717 4.320 -0.000 0.000 0.280 314 K C 1.520 177.843 176.600 -0.461 0.000 1.013 314 K CA 1.625 57.711 56.287 -0.335 0.000 1.029 314 K CB 0.001 32.310 32.500 -0.319 0.000 0.902 314 K HN 2.307 nan 8.250 nan 0.000 0.481 315 G N 3.698 112.111 108.800 -0.646 0.000 2.189 315 G HA2 -0.290 3.670 3.960 -0.000 0.000 0.267 315 G HA3 -0.290 3.670 3.960 -0.000 0.000 0.267 315 G C 0.780 175.650 174.900 -0.050 0.000 0.975 315 G CA 0.346 45.160 45.100 -0.477 0.000 0.644 315 G HN 0.656 nan 8.290 nan 0.000 0.537 316 R N 0.366 120.809 120.500 -0.095 0.000 2.275 316 R HA 0.158 4.498 4.340 -0.000 0.000 0.199 316 R C 2.028 178.319 176.300 -0.015 0.000 0.989 316 R CA 0.981 57.067 56.100 -0.023 0.000 1.016 316 R CB -0.454 29.808 30.300 -0.064 0.000 0.918 316 R HN 0.755 nan 8.270 nan 0.000 0.473 317 E N -0.111 119.996 120.200 -0.155 0.000 2.070 317 E HA -0.125 4.225 4.350 -0.000 0.000 0.197 317 E C -0.538 175.758 176.600 -0.507 0.000 1.004 317 E CA 1.010 57.132 56.400 -0.463 0.000 0.805 317 E CB 0.129 29.340 29.700 -0.814 0.000 0.744 317 E HN 0.102 nan 8.360 nan 0.000 0.451 318 F N -0.043 120.032 119.950 0.209 0.000 2.469 318 F HA 0.395 4.922 4.527 -0.000 0.000 0.332 318 F C -0.423 175.636 175.800 0.432 0.000 1.103 318 F CA -1.190 56.971 58.000 0.268 0.000 0.979 318 F CB 1.425 40.603 39.000 0.297 0.000 1.137 318 F HN -0.099 nan 8.300 nan 0.000 0.463 319 F N 1.012 121.178 119.950 0.361 0.000 2.631 319 F HA 0.812 5.339 4.527 -0.000 0.000 0.308 319 F C -2.052 173.984 175.800 0.393 0.000 1.097 319 F CA -1.422 56.786 58.000 0.347 0.000 0.952 319 F CB 1.251 40.475 39.000 0.374 0.000 1.307 319 F HN 0.160 nan 8.300 nan 0.000 0.450 320 L N 2.317 123.826 121.223 0.476 0.000 2.330 320 L HA 0.482 4.822 4.340 -0.000 0.000 0.271 320 L C -1.491 175.701 176.870 0.537 0.000 1.013 320 L CA -1.232 53.841 54.840 0.389 0.000 0.816 320 L CB 2.056 44.250 42.059 0.224 0.000 1.287 320 L HN 0.738 nan 8.230 nan 0.000 0.435 321 Y N 1.428 121.938 120.300 0.351 0.000 2.334 321 Y HA 0.546 5.096 4.550 -0.000 0.000 0.336 321 Y C 0.067 176.117 175.900 0.250 0.000 0.960 321 Y CA -1.322 56.969 58.100 0.318 0.000 1.164 321 Y CB 1.583 40.253 38.460 0.350 0.000 1.155 321 Y HN 0.580 nan 8.280 nan 0.000 0.478 322 A N 5.079 127.795 122.820 -0.172 0.000 3.063 322 A HA 0.305 4.625 4.320 -0.000 0.000 0.263 322 A C 0.541 177.892 177.584 -0.388 0.000 1.736 322 A CA 0.083 52.014 52.037 -0.178 0.000 1.408 322 A CB -1.051 17.968 19.000 0.032 0.000 1.108 322 A HN 0.669 nan 8.150 nan 0.000 0.621 323 S N 0.733 116.114 115.700 -0.532 0.000 2.572 323 S HA 0.168 4.638 4.470 -0.000 0.000 0.279 323 S C 1.629 176.174 174.600 -0.093 0.000 1.341 323 S CA 0.143 58.159 58.200 -0.306 0.000 1.043 323 S CB 0.538 63.765 63.200 0.046 0.000 0.887 323 S HN 1.137 nan 8.310 nan 0.000 0.516 324 S N 3.377 119.052 115.700 -0.041 0.000 2.515 324 S HA -0.017 4.452 4.470 -0.000 0.000 0.231 324 S C 0.830 175.420 174.600 -0.017 0.000 0.987 324 S CA 0.178 58.368 58.200 -0.015 0.000 0.936 324 S CB -0.256 62.941 63.200 -0.005 0.000 0.766 324 S HN 0.756 nan 8.310 nan 0.000 0.528 325 R N 2.006 122.493 120.500 -0.022 0.000 2.230 325 R HA 0.310 4.650 4.340 -0.000 0.000 0.337 325 R C -0.074 176.230 176.300 0.006 0.000 1.063 325 R CA -0.709 55.372 56.100 -0.033 0.000 0.935 325 R CB 0.430 30.653 30.300 -0.128 0.000 1.121 325 R HN 0.256 nan 8.270 nan 0.000 0.486 326 R N 2.830 123.332 120.500 0.004 0.000 2.523 326 R HA -0.083 4.257 4.340 -0.000 0.000 0.281 326 R C 0.593 176.870 176.300 -0.039 0.000 0.969 326 R CA 1.897 58.000 56.100 0.005 0.000 1.093 326 R CB 0.124 30.455 30.300 0.052 0.000 0.917 326 R HN 1.006 nan 8.270 nan 0.000 0.408 327 G N 2.988 111.641 108.800 -0.244 0.000 2.155 327 G HA2 -0.341 3.619 3.960 -0.000 0.000 0.257 327 G HA3 -0.341 3.619 3.960 -0.000 0.000 0.257 327 G C -0.404 174.292 174.900 -0.341 0.000 0.983 327 G CA 0.476 45.218 45.100 -0.596 0.000 0.676 327 G HN 0.706 nan 8.290 nan 0.000 0.528 328 Y N 0.877 121.023 120.300 -0.256 0.000 2.452 328 Y HA 0.457 5.007 4.550 -0.000 0.000 0.348 328 Y C 1.137 177.036 175.900 -0.001 0.000 0.985 328 Y CA -0.953 57.047 58.100 -0.167 0.000 1.214 328 Y CB -0.275 38.205 38.460 0.033 0.000 1.136 328 Y HN 0.350 nan 8.280 nan 0.000 0.523 329 Y N 3.033 123.125 120.300 -0.345 0.000 2.950 329 Y HA -0.327 4.223 4.550 -0.000 0.000 0.214 329 Y C 1.615 177.496 175.900 -0.031 0.000 1.153 329 Y CA 0.603 58.522 58.100 -0.301 0.000 0.966 329 Y CB -1.099 37.181 38.460 -0.300 0.000 1.195 329 Y HN 0.863 nan 8.280 nan 0.000 0.507 330 G N -0.711 108.039 108.800 -0.085 0.000 2.603 330 G HA2 0.223 4.183 3.960 -0.000 0.000 0.214 330 G HA3 0.223 4.183 3.960 -0.000 0.000 0.214 330 G C 0.160 175.099 174.900 0.064 0.000 1.140 330 G CA 0.672 45.788 45.100 0.026 0.000 0.800 330 G HN 0.202 nan 8.290 nan 0.000 0.533 331 V N 0.422 120.215 119.914 -0.202 0.000 2.407 331 V HA 0.540 4.660 4.120 -0.000 0.000 0.291 331 V C -1.194 174.595 176.094 -0.508 0.000 1.018 331 V CA -1.090 61.063 62.300 -0.244 0.000 0.842 331 V CB 0.994 32.565 31.823 -0.421 0.000 0.996 331 V HN 0.274 nan 8.190 nan 0.000 0.426 332 W N 2.436 123.476 121.300 -0.434 0.000 2.706 332 W HA 0.779 5.439 4.660 -0.000 0.000 0.346 332 W C -0.031 176.112 176.519 -0.628 0.000 1.071 332 W CA -0.427 56.485 57.345 -0.721 0.000 1.206 332 W CB 1.657 30.075 29.460 -1.737 0.000 1.413 332 W HN 0.474 nan 8.180 nan 0.000 0.542 333 Q N 1.634 121.267 119.800 -0.277 0.000 2.345 333 Q HA 0.379 4.719 4.340 -0.000 0.000 0.275 333 Q C -1.423 174.157 176.000 -0.700 0.000 1.063 333 Q CA -0.777 54.778 55.803 -0.413 0.000 0.819 333 Q CB 2.493 31.058 28.738 -0.289 0.000 1.356 333 Q HN 0.553 nan 8.270 nan 0.000 0.418 334 E N 1.611 121.357 120.200 -0.757 0.000 2.266 334 E HA 0.379 4.729 4.350 -0.000 0.000 0.268 334 E C -1.301 174.803 176.600 -0.827 0.000 0.879 334 E CA -0.619 55.348 56.400 -0.722 0.000 0.762 334 E CB 0.902 30.361 29.700 -0.402 0.000 1.199 334 E HN 0.486 nan 8.360 nan 0.000 0.422 335 F N 1.710 121.613 119.950 -0.078 0.000 2.983 335 F HA 0.192 4.719 4.527 -0.000 0.000 0.307 335 F C 1.168 176.867 175.800 -0.168 0.000 1.218 335 F CA -0.490 57.392 58.000 -0.196 0.000 1.323 335 F CB 0.208 39.216 39.000 0.013 0.000 0.989 335 F HN 0.652 nan 8.300 nan 0.000 0.509 336 E N 0.264 120.445 120.200 -0.031 0.000 2.130 336 E HA -0.252 4.098 4.350 -0.000 0.000 0.196 336 E C 1.486 178.006 176.600 -0.133 0.000 0.998 336 E CA 1.438 57.821 56.400 -0.029 0.000 0.806 336 E CB -0.159 29.508 29.700 -0.056 0.000 0.738 336 E HN 0.493 nan 8.360 nan 0.000 0.459 337 K N 0.302 120.519 120.400 -0.306 0.000 2.044 337 K HA -0.059 4.261 4.320 -0.000 0.000 0.204 337 K C 2.332 178.567 176.600 -0.609 0.000 1.045 337 K CA 1.235 57.226 56.287 -0.494 0.000 0.951 337 K CB 0.031 32.004 32.500 -0.878 0.000 0.738 337 K HN -0.012 nan 8.250 nan 0.000 0.443 338 Q N -0.271 119.072 119.800 -0.761 0.000 2.050 338 Q HA -0.104 4.236 4.340 -0.000 0.000 0.202 338 Q C 0.036 175.659 176.000 -0.629 0.000 0.980 338 Q CA 1.502 56.803 55.803 -0.837 0.000 0.840 338 Q CB 0.075 28.074 28.738 -1.232 0.000 0.898 338 Q HN 0.366 nan 8.270 nan 0.000 0.424 339 Y N -0.719 119.599 120.300 0.030 0.000 2.584 339 Y HA 0.377 4.927 4.550 -0.000 0.000 0.358 339 Y C -2.313 173.637 175.900 0.084 0.000 1.028 339 Y CA -2.979 55.156 58.100 0.058 0.000 1.148 339 Y CB 0.770 39.259 38.460 0.048 0.000 1.126 339 Y HN -0.041 nan 8.280 nan 0.000 0.658 340 P HA -0.032 nan 4.420 nan 0.000 0.264 340 P C 0.266 177.635 177.300 0.116 0.000 1.193 340 P CA 0.883 64.039 63.100 0.093 0.000 0.763 340 P CB 0.572 32.301 31.700 0.048 0.000 0.810 341 D N 1.080 121.544 120.400 0.107 0.000 2.946 341 D HA -0.237 4.403 4.640 -0.000 0.000 0.202 341 D C 1.057 177.434 176.300 0.128 0.000 1.068 341 D CA 1.492 55.547 54.000 0.092 0.000 1.011 341 D CB -1.242 39.590 40.800 0.054 0.000 1.105 341 D HN 0.499 nan 8.370 nan 0.000 0.425 342 A N 0.638 123.574 122.820 0.194 0.000 2.066 342 A HA -0.077 4.243 4.320 -0.000 0.000 0.218 342 A C 1.067 178.812 177.584 0.267 0.000 1.157 342 A CA 1.581 53.737 52.037 0.199 0.000 0.670 342 A CB 0.035 19.161 19.000 0.210 0.000 0.804 342 A HN 0.309 nan 8.150 nan 0.000 0.453 343 N N -1.671 117.255 118.700 0.377 0.000 2.758 343 N HA -0.121 4.619 4.740 -0.000 0.000 0.248 343 N C -0.719 175.197 175.510 0.677 0.000 1.076 343 N CA 1.026 54.414 53.050 0.563 0.000 0.696 343 N CB -1.797 36.934 38.487 0.406 0.000 0.979 343 N HN 0.250 nan 8.380 nan 0.000 0.550 344 V N 0.667 120.932 119.914 0.585 0.000 2.581 344 V HA 0.615 4.735 4.120 -0.000 0.000 0.303 344 V C 0.596 176.961 176.094 0.451 0.000 1.041 344 V CA -0.636 62.014 62.300 0.583 0.000 0.907 344 V CB 2.373 34.548 31.823 0.587 0.000 0.994 344 V HN 0.142 nan 8.190 nan 0.000 0.442 345 L N 4.190 125.666 121.223 0.421 0.000 2.354 345 L HA 0.663 5.003 4.340 -0.000 0.000 0.264 345 L C -1.318 175.735 176.870 0.306 0.000 1.008 345 L CA -0.880 54.064 54.840 0.174 0.000 0.819 345 L CB 2.235 44.347 42.059 0.087 0.000 1.339 345 L HN 0.452 nan 8.230 nan 0.000 0.420 346 L N 2.451 123.749 121.223 0.125 0.000 2.381 346 L HA 0.673 5.013 4.340 -0.000 0.000 0.274 346 L C -1.284 175.377 176.870 -0.349 0.000 0.988 346 L CA -0.381 54.389 54.840 -0.116 0.000 0.824 346 L CB 1.894 43.971 42.059 0.030 0.000 1.263 346 L HN 0.302 nan 8.230 nan 0.000 0.410 347 V N 4.770 124.319 119.914 -0.608 0.000 2.555 347 V HA 0.731 4.851 4.120 -0.000 0.000 0.302 347 V C -0.402 175.365 176.094 -0.545 0.000 1.038 347 V CA 0.042 61.736 62.300 -1.010 0.000 0.887 347 V CB 2.190 32.913 31.823 -1.834 0.000 0.991 347 V HN 0.947 nan 8.190 nan 0.000 0.434 348 T N 6.264 120.548 114.554 -0.450 0.000 2.855 348 T HA 0.726 5.076 4.350 -0.000 0.000 0.281 348 T C -0.473 174.074 174.700 -0.255 0.000 1.007 348 T CA -0.290 61.626 62.100 -0.307 0.000 1.009 348 T CB 1.523 70.262 68.868 -0.215 0.000 0.983 348 T HN 1.055 nan 8.240 nan 0.000 0.455 349 V N 0.089 119.869 119.914 -0.225 0.000 3.160 349 V HA 1.026 5.146 4.120 -0.000 0.000 0.310 349 V C -0.362 175.688 176.094 -0.073 0.000 1.181 349 V CA -0.910 61.312 62.300 -0.129 0.000 1.047 349 V CB 1.817 33.491 31.823 -0.248 0.000 1.068 349 V HN 1.066 nan 8.190 nan 0.000 0.441 350 T N -2.407 112.169 114.554 0.036 0.000 2.754 350 T HA 0.656 5.006 4.350 -0.000 0.000 0.296 350 T C 0.034 174.730 174.700 -0.006 0.000 1.205 350 T CA 0.520 62.632 62.100 0.019 0.000 1.009 350 T CB 1.520 70.420 68.868 0.054 0.000 1.368 350 T HN 1.650 nan 8.240 nan 0.000 0.509 351 D N 0.382 120.749 120.400 -0.056 0.000 3.740 351 D HA -0.274 4.366 4.640 -0.000 0.000 0.147 351 D C 1.306 177.518 176.300 -0.147 0.000 0.885 351 D CA 2.231 56.170 54.000 -0.101 0.000 1.051 351 D CB -1.064 39.718 40.800 -0.030 0.000 0.480 351 D HN 0.834 nan 8.370 nan 0.000 0.469 352 E N -0.290 119.850 120.200 -0.101 0.000 2.077 352 E HA -0.190 4.160 4.350 -0.000 0.000 0.193 352 E C 1.974 178.514 176.600 -0.100 0.000 0.989 352 E CA 1.201 57.532 56.400 -0.115 0.000 0.800 352 E CB -0.136 29.529 29.700 -0.057 0.000 0.746 352 E HN 0.344 nan 8.360 nan 0.000 0.452 353 E N 0.415 120.575 120.200 -0.067 0.000 2.072 353 E HA -0.108 4.242 4.350 -0.000 0.000 0.191 353 E C 2.241 178.787 176.600 -0.089 0.000 0.985 353 E CA 0.642 56.992 56.400 -0.083 0.000 0.801 353 E CB -0.163 29.453 29.700 -0.140 0.000 0.750 353 E HN 0.050 nan 8.360 nan 0.000 0.452 354 S N 0.649 116.295 115.700 -0.090 0.000 2.359 354 S HA -0.137 4.333 4.470 -0.000 0.000 0.224 354 S C 1.924 176.489 174.600 -0.058 0.000 1.035 354 S CA 1.071 59.240 58.200 -0.051 0.000 1.018 354 S CB -0.106 63.069 63.200 -0.041 0.000 0.876 354 S HN 0.241 nan 8.310 nan 0.000 0.448 355 R N 0.588 120.946 120.500 -0.237 0.000 2.115 355 R HA 0.032 4.372 4.340 -0.000 0.000 0.230 355 R C 2.582 178.850 176.300 -0.054 0.000 1.111 355 R CA 0.963 56.832 56.100 -0.384 0.000 0.976 355 R CB -0.188 29.602 30.300 -0.850 0.000 0.870 355 R HN 0.321 nan 8.270 nan 0.000 0.445 356 R N 1.188 121.662 120.500 -0.042 0.000 2.066 356 R HA -0.064 4.276 4.340 -0.000 0.000 0.232 356 R C 2.103 178.456 176.300 0.088 0.000 1.131 356 R CA 1.304 57.427 56.100 0.039 0.000 0.955 356 R CB -0.192 30.125 30.300 0.029 0.000 0.851 356 R HN 0.133 nan 8.270 nan 0.000 0.432 357 I N 1.075 121.686 120.570 0.069 0.000 2.286 357 I HA -0.231 3.939 4.170 -0.000 0.000 0.248 357 I C 2.048 178.245 176.117 0.133 0.000 1.115 357 I CA 1.413 62.773 61.300 0.101 0.000 1.392 357 I CB -0.261 37.781 38.000 0.070 0.000 1.065 357 I HN 0.335 nan 8.210 nan 0.000 0.418 358 E N 0.411 120.714 120.200 0.172 0.000 2.204 358 E HA -0.238 4.112 4.350 -0.000 0.000 0.195 358 E C 1.791 178.507 176.600 0.194 0.000 0.990 358 E CA 0.831 57.357 56.400 0.211 0.000 0.821 358 E CB -0.052 29.863 29.700 0.358 0.000 0.750 358 E HN 0.595 nan 8.360 nan 0.000 0.477 359 Q N 0.372 120.300 119.800 0.215 0.000 2.444 359 Q HA -0.026 4.314 4.340 -0.000 0.000 0.206 359 Q C 0.522 176.595 176.000 0.122 0.000 0.948 359 Q CA 0.204 56.113 55.803 0.177 0.000 0.946 359 Q CB 0.248 29.112 28.738 0.210 0.000 1.027 359 Q HN 0.318 nan 8.270 nan 0.000 0.513 360 Q N -1.008 118.860 119.800 0.114 0.000 2.552 360 Q HA 0.517 4.857 4.340 -0.000 0.000 0.289 360 Q C -0.517 175.535 176.000 0.087 0.000 1.097 360 Q CA -0.915 54.946 55.803 0.096 0.000 0.812 360 Q CB 1.142 29.942 28.738 0.104 0.000 1.460 360 Q HN -0.001 nan 8.270 nan 0.000 0.452 361 S N -0.179 115.566 115.700 0.076 0.000 2.593 361 S HA 0.065 4.535 4.470 -0.000 0.000 0.269 361 S C 0.031 174.675 174.600 0.074 0.000 1.334 361 S CA 0.008 58.248 58.200 0.067 0.000 1.015 361 S CB 0.632 63.867 63.200 0.057 0.000 0.912 361 S HN 0.643 nan 8.310 nan 0.000 0.541 362 D N 0.650 121.090 120.400 0.066 0.000 2.144 362 D HA -0.098 4.542 4.640 -0.000 0.000 0.199 362 D C 1.791 178.130 176.300 0.066 0.000 0.984 362 D CA 1.514 55.555 54.000 0.069 0.000 0.834 362 D CB -0.324 40.515 40.800 0.065 0.000 0.955 362 D HN 0.872 nan 8.370 nan 0.000 0.465 363 E N 0.572 120.807 120.200 0.059 0.000 2.051 363 E HA -0.266 4.084 4.350 -0.000 0.000 0.192 363 E C 1.993 178.629 176.600 0.061 0.000 0.991 363 E CA 1.045 57.478 56.400 0.054 0.000 0.799 363 E CB -0.009 29.719 29.700 0.048 0.000 0.748 363 E HN 0.255 nan 8.360 nan 0.000 0.449 364 Q N -0.282 119.559 119.800 0.069 0.000 2.084 364 Q HA -0.140 4.200 4.340 -0.000 0.000 0.202 364 Q C 1.978 178.036 176.000 0.096 0.000 0.978 364 Q CA 2.196 58.048 55.803 0.082 0.000 0.844 364 Q CB 0.002 28.793 28.738 0.088 0.000 0.898 364 Q HN 0.258 nan 8.270 nan 0.000 0.426 365 T N 0.503 115.118 114.554 0.100 0.000 2.821 365 T HA -0.141 4.209 4.350 -0.000 0.000 0.267 365 T C 1.595 176.318 174.700 0.039 0.000 1.046 365 T CA 1.444 63.614 62.100 0.116 0.000 1.139 365 T CB -0.141 68.804 68.868 0.129 0.000 0.871 365 T HN 0.287 nan 8.240 nan 0.000 0.454 366 K N 1.168 121.593 120.400 0.042 0.000 2.063 366 K HA -0.033 4.287 4.320 -0.000 0.000 0.208 366 K C 2.418 179.030 176.600 0.020 0.000 1.048 366 K CA 1.245 57.547 56.287 0.025 0.000 0.928 366 K CB -0.316 32.208 32.500 0.041 0.000 0.713 366 K HN 0.271 nan 8.250 nan 0.000 0.442 367 A N 1.126 123.969 122.820 0.039 0.000 1.902 367 A HA -0.184 4.136 4.320 -0.000 0.000 0.217 367 A C 1.819 179.424 177.584 0.034 0.000 1.181 367 A CA 1.710 53.774 52.037 0.044 0.000 0.623 367 A CB -0.463 18.571 19.000 0.057 0.000 0.818 367 A HN 0.484 nan 8.150 nan 0.000 0.443 368 E N -0.308 119.915 120.200 0.037 0.000 2.110 368 E HA -0.143 4.207 4.350 -0.000 0.000 0.193 368 E C 1.831 178.337 176.600 -0.156 0.000 0.988 368 E CA 1.200 57.630 56.400 0.050 0.000 0.804 368 E CB -0.287 29.527 29.700 0.190 0.000 0.745 368 E HN 0.699 nan 8.360 nan 0.000 0.458 369 I N 0.637 121.015 120.570 -0.320 0.000 2.315 369 I HA -0.245 3.925 4.170 -0.000 0.000 0.248 369 I C 2.268 178.344 176.117 -0.067 0.000 1.117 369 I CA 0.608 61.684 61.300 -0.374 0.000 1.404 369 I CB -0.108 37.722 38.000 -0.283 0.000 1.071 369 I HN 0.170 nan 8.210 nan 0.000 0.419 370 M N -0.051 119.554 119.600 0.007 0.000 2.159 370 M HA -0.225 4.255 4.480 -0.000 0.000 0.263 370 M C 2.247 178.549 176.300 0.003 0.000 1.063 370 M CA 1.760 57.093 55.300 0.055 0.000 1.110 370 M CB -1.218 31.425 32.600 0.071 0.000 1.374 370 M HN 0.302 nan 8.290 nan 0.000 0.411 371 Q N -0.676 119.127 119.800 0.004 0.000 2.124 371 Q HA -0.116 4.224 4.340 -0.000 0.000 0.202 371 Q C 2.242 178.232 176.000 -0.018 0.000 0.977 371 Q CA 1.306 57.119 55.803 0.017 0.000 0.850 371 Q CB -0.160 28.620 28.738 0.071 0.000 0.901 371 Q HN 0.321 nan 8.270 nan 0.000 0.429 372 V N 0.970 120.847 119.914 -0.062 0.000 2.307 372 V HA -0.247 3.873 4.120 -0.000 0.000 0.245 372 V C 2.155 178.059 176.094 -0.317 0.000 1.045 372 V CA 1.474 63.642 62.300 -0.219 0.000 1.024 372 V CB -0.429 31.235 31.823 -0.265 0.000 0.651 372 V HN 0.351 nan 8.190 nan 0.000 0.449 373 L N -0.619 120.490 121.223 -0.189 0.000 2.083 373 L HA -0.198 4.142 4.340 -0.000 0.000 0.209 373 L C 2.752 179.567 176.870 -0.092 0.000 1.083 373 L CA 1.643 56.399 54.840 -0.141 0.000 0.752 373 L CB -0.545 41.511 42.059 -0.004 0.000 0.899 373 L HN 0.249 nan 8.230 nan 0.000 0.433 374 R N -0.055 120.384 120.500 -0.102 0.000 2.092 374 R HA -0.138 4.202 4.340 -0.000 0.000 0.231 374 R C 2.291 178.551 176.300 -0.065 0.000 1.119 374 R CA 1.144 57.195 56.100 -0.081 0.000 0.970 374 R CB -0.124 30.139 30.300 -0.061 0.000 0.864 374 R HN 0.310 nan 8.270 nan 0.000 0.440 375 K N 0.005 120.358 120.400 -0.079 0.000 2.148 375 K HA -0.043 4.277 4.320 -0.000 0.000 0.204 375 K C 2.051 178.600 176.600 -0.086 0.000 1.050 375 K CA 1.171 57.436 56.287 -0.037 0.000 0.942 375 K CB 0.042 32.560 32.500 0.030 0.000 0.724 375 K HN 0.159 nan 8.250 nan 0.000 0.446 376 M N -0.561 118.883 119.600 -0.259 0.000 2.156 376 M HA -0.055 4.425 4.480 -0.000 0.000 0.264 376 M C 0.291 176.206 176.300 -0.640 0.000 1.067 376 M CA 1.441 56.442 55.300 -0.499 0.000 1.131 376 M CB 0.248 32.241 32.600 -1.011 0.000 1.368 376 M HN -0.030 nan 8.290 nan 0.000 0.416 377 F N 0.020 119.930 119.950 -0.066 0.000 2.701 377 F HA 0.260 4.787 4.527 -0.000 0.000 0.315 377 F C -1.568 174.198 175.800 -0.056 0.000 1.277 377 F CA -1.910 56.073 58.000 -0.030 0.000 1.180 377 F CB -0.198 38.773 39.000 -0.049 0.000 1.273 377 F HN -0.008 nan 8.300 nan 0.000 0.532 378 P HA -0.162 nan 4.420 nan 0.000 0.217 378 P C 1.773 179.092 177.300 0.032 0.000 1.148 378 P CA 1.446 64.560 63.100 0.023 0.000 0.828 378 P CB 0.189 31.893 31.700 0.006 0.000 0.783 379 G N -0.633 108.203 108.800 0.061 0.000 2.650 379 G HA2 -0.079 3.881 3.960 -0.000 0.000 0.214 379 G HA3 -0.079 3.881 3.960 -0.000 0.000 0.214 379 G C 0.809 175.727 174.900 0.030 0.000 1.136 379 G CA 0.260 45.385 45.100 0.041 0.000 0.789 379 G HN 0.226 nan 8.290 nan 0.000 0.536 380 K N 0.599 121.025 120.400 0.044 0.000 2.106 380 K HA 0.273 4.593 4.320 -0.000 0.000 0.246 380 K C -1.270 175.288 176.600 -0.069 0.000 0.987 380 K CA -0.771 55.509 56.287 -0.011 0.000 0.904 380 K CB 1.290 33.787 32.500 -0.005 0.000 1.071 380 K HN -0.111 nan 8.250 nan 0.000 0.453 381 D N 1.622 121.971 120.400 -0.085 0.000 2.428 381 D HA 0.139 4.779 4.640 -0.000 0.000 0.221 381 D C -0.970 175.222 176.300 -0.180 0.000 1.123 381 D CA -0.487 53.456 54.000 -0.095 0.000 0.869 381 D CB 0.561 41.328 40.800 -0.056 0.000 1.032 381 D HN 0.013 nan 8.370 nan 0.000 0.506 382 V N 7.213 126.958 119.914 -0.282 0.000 2.389 382 V HA 0.247 4.367 4.120 -0.000 0.000 0.264 382 V C -1.681 174.252 176.094 -0.268 0.000 1.049 382 V CA -1.196 60.763 62.300 -0.567 0.000 0.932 382 V CB 0.962 32.349 31.823 -0.726 0.000 1.011 382 V HN 0.490 nan 8.190 nan 0.000 0.475 383 P HA 0.155 nan 4.420 nan 0.000 0.275 383 P C -0.567 176.874 177.300 0.233 0.000 1.228 383 P CA -0.378 62.777 63.100 0.091 0.000 0.786 383 P CB 0.880 32.701 31.700 0.203 0.000 0.927 384 D N 1.360 121.870 120.400 0.185 0.000 2.414 384 D HA 0.218 4.858 4.640 -0.000 0.000 0.242 384 D C 0.001 176.447 176.300 0.243 0.000 1.129 384 D CA -0.007 54.117 54.000 0.207 0.000 0.885 384 D CB 0.508 41.371 40.800 0.105 0.000 1.198 384 D HN 0.411 nan 8.370 nan 0.000 0.437 385 A N 3.188 126.088 122.820 0.133 0.000 2.540 385 A HA 0.138 4.458 4.320 -0.000 0.000 0.239 385 A C 1.401 178.907 177.584 -0.131 0.000 1.061 385 A CA 0.166 51.981 52.037 -0.370 0.000 0.758 385 A CB 0.222 18.902 19.000 -0.533 0.000 0.991 385 A HN 0.699 nan 8.150 nan 0.000 0.502 386 T N 0.537 115.006 114.554 -0.143 0.000 2.978 386 T HA 0.046 4.396 4.350 -0.000 0.000 0.262 386 T C 0.215 174.878 174.700 -0.062 0.000 1.063 386 T CA 1.704 63.770 62.100 -0.058 0.000 1.140 386 T CB -0.147 68.697 68.868 -0.039 0.000 0.886 386 T HN 0.820 nan 8.240 nan 0.000 0.470 387 D N -0.807 119.548 120.400 -0.075 0.000 2.661 387 D HA 0.543 5.183 4.640 -0.000 0.000 0.228 387 D C -1.601 174.854 176.300 0.259 0.000 1.210 387 D CA -0.593 53.428 54.000 0.034 0.000 0.826 387 D CB 1.784 42.507 40.800 -0.129 0.000 1.542 387 D HN 0.124 nan 8.370 nan 0.000 0.447 388 I N 1.867 122.636 120.570 0.333 0.000 2.802 388 I HA 0.597 4.767 4.170 -0.000 0.000 0.298 388 I C -2.092 174.148 176.117 0.204 0.000 1.176 388 I CA -1.033 60.421 61.300 0.256 0.000 1.025 388 I CB 1.931 39.994 38.000 0.105 0.000 1.243 388 I HN 0.347 nan 8.210 nan 0.000 0.424 389 L N 7.971 129.164 121.223 -0.050 0.000 2.406 389 L HA 0.591 4.931 4.340 -0.000 0.000 0.272 389 L C -1.743 175.138 176.870 0.019 0.000 0.980 389 L CA -0.398 54.414 54.840 -0.046 0.000 0.831 389 L CB 1.727 43.584 42.059 -0.336 0.000 1.253 389 L HN 0.311 nan 8.230 nan 0.000 0.406 390 V N 6.977 126.921 119.914 0.050 0.000 2.284 390 V HA 0.458 4.578 4.120 -0.000 0.000 0.274 390 V C -2.064 174.068 176.094 0.064 0.000 1.023 390 V CA -1.317 61.025 62.300 0.069 0.000 0.808 390 V CB 1.089 32.956 31.823 0.073 0.000 1.035 390 V HN 0.718 nan 8.190 nan 0.000 0.445 391 P HA 0.267 nan 4.420 nan 0.000 0.268 391 P C -0.111 177.202 177.300 0.021 0.000 1.204 391 P CA -0.070 63.035 63.100 0.009 0.000 0.768 391 P CB 0.429 32.243 31.700 0.190 0.000 0.842 392 R N 2.396 122.831 120.500 -0.107 0.000 3.472 392 R HA 0.161 4.501 4.340 -0.000 0.000 0.322 392 R C 0.389 176.719 176.300 0.050 0.000 1.330 392 R CA -0.114 56.000 56.100 0.024 0.000 1.387 392 R CB -0.130 30.181 30.300 0.019 0.000 1.446 392 R HN 0.621 nan 8.270 nan 0.000 0.628 393 W N -0.330 121.067 121.300 0.163 0.000 2.363 393 W HA -0.202 4.458 4.660 -0.000 0.000 0.296 393 W C 1.876 178.538 176.519 0.238 0.000 1.212 393 W CA 0.492 57.940 57.345 0.171 0.000 1.260 393 W CB -0.153 29.396 29.460 0.147 0.000 1.131 393 W HN 0.514 nan 8.180 nan 0.000 0.530 394 W N 0.975 122.446 121.300 0.285 0.000 2.388 394 W HA -0.135 4.525 4.660 -0.000 0.000 0.294 394 W C 2.079 178.672 176.519 0.123 0.000 1.212 394 W CA 1.959 59.410 57.345 0.177 0.000 1.271 394 W CB -0.639 28.892 29.460 0.118 0.000 1.126 394 W HN -0.338 nan 8.180 nan 0.000 0.535 395 S N -0.188 115.479 115.700 -0.055 0.000 2.489 395 S HA -0.120 4.350 4.470 -0.000 0.000 0.228 395 S C 0.318 174.789 174.600 -0.215 0.000 0.995 395 S CA 0.659 58.656 58.200 -0.338 0.000 0.934 395 S CB -0.476 62.627 63.200 -0.163 0.000 0.771 395 S HN 0.187 nan 8.310 nan 0.000 0.522 396 D N 2.096 122.467 120.400 -0.048 0.000 2.339 396 D HA 0.036 4.676 4.640 -0.000 0.000 0.256 396 D C 1.240 177.484 176.300 -0.093 0.000 1.214 396 D CA -0.356 53.620 54.000 -0.039 0.000 0.877 396 D CB 0.706 41.614 40.800 0.180 0.000 1.111 396 D HN 0.319 nan 8.370 nan 0.000 0.478 397 R N 3.141 123.435 120.500 -0.343 0.000 2.241 397 R HA -0.101 4.239 4.340 -0.000 0.000 0.224 397 R C 1.120 177.222 176.300 -0.329 0.000 1.101 397 R CA 1.126 57.000 56.100 -0.376 0.000 0.995 397 R CB -0.419 29.599 30.300 -0.470 0.000 0.870 397 R HN 0.366 nan 8.270 nan 0.000 0.463 398 F N -0.992 118.904 119.950 -0.091 0.000 2.732 398 F HA 0.212 4.739 4.527 -0.000 0.000 0.303 398 F C 0.600 175.905 175.800 -0.825 0.000 1.110 398 F CA -0.171 57.585 58.000 -0.408 0.000 1.355 398 F CB 0.334 39.033 39.000 -0.501 0.000 1.081 398 F HN -0.049 nan 8.300 nan 0.000 0.565 399 Y N -1.871 118.575 120.300 0.244 0.000 2.844 399 Y HA 0.143 4.693 4.550 -0.000 0.000 0.256 399 Y C 0.881 176.898 175.900 0.194 0.000 1.134 399 Y CA -0.731 57.533 58.100 0.274 0.000 1.209 399 Y CB 0.168 38.926 38.460 0.496 0.000 1.418 399 Y HN -0.376 nan 8.280 nan 0.000 0.459 400 K N 1.115 121.698 120.400 0.305 0.000 3.016 400 K HA -0.135 4.185 4.320 -0.000 0.000 0.262 400 K C 0.158 176.970 176.600 0.354 0.000 1.043 400 K CA 1.146 57.562 56.287 0.214 0.000 0.761 400 K CB -1.762 30.805 32.500 0.112 0.000 1.230 400 K HN 0.807 nan 8.250 nan 0.000 0.485 401 G N -2.413 106.630 108.800 0.404 0.000 2.359 401 G HA2 0.190 4.150 3.960 -0.000 0.000 0.293 401 G HA3 0.190 4.150 3.960 -0.000 0.000 0.293 401 G C 0.367 175.355 174.900 0.147 0.000 1.300 401 G CA 0.417 45.679 45.100 0.270 0.000 0.888 401 G HN 0.171 nan 8.290 nan 0.000 0.541 402 T N -2.743 111.735 114.554 -0.126 0.000 3.019 402 T HA 0.621 4.970 4.350 -0.000 0.000 0.247 402 T C 0.346 174.962 174.700 -0.140 0.000 0.992 402 T CA 1.467 63.376 62.100 -0.319 0.000 1.036 402 T CB 0.175 68.760 68.868 -0.472 0.000 1.063 402 T HN 1.880 nan 8.240 nan 0.000 0.476 403 F N 0.830 120.747 119.950 -0.055 0.000 2.725 403 F HA 0.718 5.245 4.527 -0.000 0.000 0.309 403 F C -0.412 175.405 175.800 0.028 0.000 1.132 403 F CA -1.659 56.313 58.000 -0.046 0.000 0.957 403 F CB 0.506 39.405 39.000 -0.167 0.000 1.286 403 F HN 0.128 nan 8.300 nan 0.000 0.440 404 S N 1.320 117.222 115.700 0.338 0.000 2.589 404 S HA 0.586 5.056 4.470 -0.000 0.000 0.265 404 S C -0.644 174.144 174.600 0.314 0.000 1.342 404 S CA -0.181 58.214 58.200 0.324 0.000 1.005 404 S CB 1.301 64.841 63.200 0.566 0.000 0.909 404 S HN 0.961 nan 8.310 nan 0.000 0.555 405 N N -0.393 118.348 118.700 0.069 0.000 2.277 405 N HA 0.289 5.028 4.740 -0.000 0.000 0.286 405 N C -2.122 173.084 175.510 -0.506 0.000 1.140 405 N CA -0.631 52.412 53.050 -0.010 0.000 0.799 405 N CB 1.219 39.728 38.487 0.036 0.000 1.596 405 N HN 0.797 nan 8.380 nan 0.000 0.473 406 W N 5.764 126.724 121.300 -0.567 0.000 2.316 406 W HA 0.491 5.151 4.660 -0.000 0.000 0.308 406 W C -2.638 173.579 176.519 -0.503 0.000 1.106 406 W CA -1.974 54.900 57.345 -0.784 0.000 1.262 406 W CB 0.701 30.004 29.460 -0.261 0.000 1.233 406 W HN 0.424 nan 8.180 nan 0.000 0.447 407 P HA 0.086 nan 4.420 nan 0.000 0.284 407 P C -0.481 176.888 177.300 0.116 0.000 1.258 407 P CA -0.418 62.654 63.100 -0.047 0.000 0.824 407 P CB 2.088 33.714 31.700 -0.125 0.000 1.038 408 V N 2.135 122.068 119.914 0.032 0.000 2.673 408 V HA 0.355 4.475 4.120 -0.000 0.000 0.303 408 V C 1.301 177.438 176.094 0.071 0.000 1.046 408 V CA 2.118 64.442 62.300 0.039 0.000 1.126 408 V CB -0.414 31.399 31.823 -0.015 0.000 0.934 408 V HN 1.023 nan 8.190 nan 0.000 0.487 409 G N 4.321 113.184 108.800 0.106 0.000 2.376 409 G HA2 -0.178 3.782 3.960 -0.000 0.000 0.208 409 G HA3 -0.178 3.782 3.960 -0.000 0.000 0.208 409 G C 0.021 175.020 174.900 0.165 0.000 1.032 409 G CA -0.045 45.117 45.100 0.104 0.000 0.641 409 G HN 1.285 nan 8.290 nan 0.000 0.503 410 V N 3.820 123.881 119.914 0.244 0.000 2.406 410 V HA 0.536 4.656 4.120 -0.000 0.000 0.272 410 V C 0.498 176.898 176.094 0.510 0.000 1.043 410 V CA -0.188 62.294 62.300 0.303 0.000 0.915 410 V CB 1.119 33.068 31.823 0.210 0.000 0.988 410 V HN 0.746 nan 8.190 nan 0.000 0.466 411 N N 4.943 123.879 118.700 0.393 0.000 2.604 411 N HA 0.292 5.032 4.740 -0.000 0.000 0.297 411 N C 0.943 176.788 175.510 0.559 0.000 1.266 411 N CA -0.902 52.418 53.050 0.450 0.000 0.961 411 N CB 0.615 39.274 38.487 0.287 0.000 1.166 411 N HN 0.370 nan 8.380 nan 0.000 0.601 412 R N -1.377 119.433 120.500 0.515 0.000 2.081 412 R HA -0.168 4.172 4.340 -0.000 0.000 0.235 412 R C 1.906 178.407 176.300 0.335 0.000 1.131 412 R CA 1.146 57.557 56.100 0.519 0.000 0.960 412 R CB -0.674 29.844 30.300 0.362 0.000 0.856 412 R HN 0.665 nan 8.270 nan 0.000 0.436 413 Y N 1.138 121.534 120.300 0.160 0.000 2.165 413 Y HA -0.224 4.326 4.550 -0.000 0.000 0.286 413 Y C 2.098 178.026 175.900 0.048 0.000 1.155 413 Y CA 2.219 60.362 58.100 0.072 0.000 1.164 413 Y CB -0.136 38.352 38.460 0.047 0.000 0.978 413 Y HN 0.200 nan 8.280 nan 0.000 0.513 414 E N -1.323 119.016 120.200 0.232 0.000 2.152 414 E HA -0.251 4.099 4.350 -0.000 0.000 0.192 414 E C 1.969 178.524 176.600 -0.075 0.000 0.983 414 E CA 0.970 57.418 56.400 0.079 0.000 0.818 414 E CB -0.441 29.362 29.700 0.173 0.000 0.758 414 E HN 0.657 nan 8.360 nan 0.000 0.467 415 Y N 1.884 122.051 120.300 -0.221 0.000 2.181 415 Y HA -0.208 4.342 4.550 -0.000 0.000 0.288 415 Y C 1.605 177.241 175.900 -0.441 0.000 1.146 415 Y CA 1.916 59.683 58.100 -0.555 0.000 1.164 415 Y CB -0.203 37.737 38.460 -0.867 0.000 0.982 415 Y HN 0.033 nan 8.280 nan 0.000 0.515 416 D N 0.111 120.297 120.400 -0.358 0.000 2.178 416 D HA -0.194 4.446 4.640 -0.000 0.000 0.201 416 D C 1.977 178.008 176.300 -0.448 0.000 0.980 416 D CA 1.416 55.151 54.000 -0.442 0.000 0.842 416 D CB -0.345 40.295 40.800 -0.267 0.000 0.948 416 D HN 0.563 nan 8.370 nan 0.000 0.472 417 Q N -0.156 119.401 119.800 -0.405 0.000 2.297 417 Q HA -0.078 4.262 4.340 -0.000 0.000 0.208 417 Q C 2.242 178.133 176.000 -0.181 0.000 0.981 417 Q CA 0.384 56.061 55.803 -0.209 0.000 0.876 417 Q CB -0.001 28.720 28.738 -0.028 0.000 0.921 417 Q HN 0.370 nan 8.270 nan 0.000 0.446 418 L N -0.109 120.862 121.223 -0.420 0.000 2.093 418 L HA -0.181 4.159 4.340 -0.000 0.000 0.208 418 L C 2.532 179.127 176.870 -0.458 0.000 1.085 418 L CA 1.133 55.668 54.840 -0.508 0.000 0.755 418 L CB -0.231 41.416 42.059 -0.686 0.000 0.904 418 L HN 0.169 nan 8.230 nan 0.000 0.435 419 R N 0.409 120.655 120.500 -0.424 0.000 2.200 419 R HA 0.080 4.420 4.340 -0.000 0.000 0.208 419 R C 0.893 177.138 176.300 -0.091 0.000 1.033 419 R CA 0.405 56.347 56.100 -0.264 0.000 1.000 419 R CB 0.101 30.214 30.300 -0.311 0.000 0.906 419 R HN 0.227 nan 8.270 nan 0.000 0.462 420 A N 3.065 125.833 122.820 -0.087 0.000 2.520 420 A HA 0.211 4.531 4.320 -0.000 0.000 0.245 420 A C -2.168 175.498 177.584 0.136 0.000 1.072 420 A CA -1.148 50.900 52.037 0.018 0.000 0.761 420 A CB 0.038 19.060 19.000 0.037 0.000 1.004 420 A HN 0.220 nan 8.150 nan 0.000 0.499 421 P HA 0.301 nan 4.420 nan 0.000 0.274 421 P C -0.759 176.525 177.300 -0.026 0.000 1.256 421 P CA -0.275 62.705 63.100 -0.201 0.000 0.795 421 P CB 0.935 32.081 31.700 -0.924 0.000 1.038 422 V N 1.012 120.855 119.914 -0.118 0.000 2.325 422 V HA 0.477 4.596 4.120 -0.000 0.000 0.280 422 V C 1.065 177.068 176.094 -0.152 0.000 1.016 422 V CA 0.647 62.915 62.300 -0.053 0.000 0.818 422 V CB 0.060 31.784 31.823 -0.165 0.000 1.019 422 V HN 1.101 nan 8.190 nan 0.000 0.434 423 G N 5.917 114.697 108.800 -0.032 0.000 2.565 423 G HA2 -0.323 3.637 3.960 -0.000 0.000 0.295 423 G HA3 -0.323 3.637 3.960 -0.000 0.000 0.295 423 G C 0.723 175.612 174.900 -0.018 0.000 1.165 423 G CA 0.728 45.847 45.100 0.031 0.000 0.977 423 G HN 0.622 nan 8.290 nan 0.000 0.546 424 R N -0.266 120.266 120.500 0.053 0.000 2.334 424 R HA 0.366 4.706 4.340 -0.000 0.000 0.220 424 R C 0.142 176.545 176.300 0.172 0.000 0.917 424 R CA 0.172 56.397 56.100 0.209 0.000 1.073 424 R CB 0.409 30.724 30.300 0.024 0.000 1.056 424 R HN 0.235 nan 8.270 nan 0.000 0.506 425 V N 1.844 121.646 119.914 -0.186 0.000 2.333 425 V HA 0.205 4.325 4.120 -0.000 0.000 0.274 425 V C -0.577 175.200 176.094 -0.529 0.000 1.028 425 V CA -0.581 61.525 62.300 -0.324 0.000 0.851 425 V CB 0.325 31.826 31.823 -0.538 0.000 1.000 425 V HN 0.058 nan 8.190 nan 0.000 0.456 426 Y N 4.213 124.274 120.300 -0.397 0.000 2.419 426 Y HA 0.709 5.259 4.550 -0.000 0.000 0.328 426 Y C -0.165 175.333 175.900 -0.671 0.000 1.162 426 Y CA -0.761 57.129 58.100 -0.349 0.000 1.174 426 Y CB 1.583 39.939 38.460 -0.172 0.000 1.228 426 Y HN 0.484 nan 8.280 nan 0.000 0.473 427 F N -0.102 119.872 119.950 0.040 0.000 2.577 427 F HA 0.672 5.199 4.527 -0.000 0.000 0.318 427 F C 0.254 176.019 175.800 -0.058 0.000 1.065 427 F CA -0.616 57.372 58.000 -0.020 0.000 0.929 427 F CB 2.455 41.402 39.000 -0.089 0.000 1.237 427 F HN 0.364 nan 8.300 nan 0.000 0.468 428 T N 0.091 114.698 114.554 0.089 0.000 2.731 428 T HA 0.790 5.140 4.350 -0.000 0.000 0.300 428 T C -0.838 173.786 174.700 -0.126 0.000 1.283 428 T CA -0.010 62.061 62.100 -0.047 0.000 1.005 428 T CB 1.576 70.421 68.868 -0.038 0.000 1.420 428 T HN 1.449 nan 8.240 nan 0.000 0.503 429 G N 1.151 109.851 108.800 -0.167 0.000 2.362 429 G HA2 0.155 4.115 3.960 -0.000 0.000 0.656 429 G HA3 0.155 4.115 3.960 -0.000 0.000 0.656 429 G C 0.185 174.958 174.900 -0.212 0.000 1.376 429 G CA 0.738 45.759 45.100 -0.132 0.000 0.971 429 G HN 1.032 nan 8.290 nan 0.000 0.636 430 E N -0.358 119.864 120.200 0.037 0.000 2.171 430 E HA -0.246 4.104 4.350 -0.000 0.000 0.197 430 E C 1.673 178.330 176.600 0.096 0.000 0.997 430 E CA 2.646 59.104 56.400 0.096 0.000 0.810 430 E CB -0.718 29.067 29.700 0.142 0.000 0.738 430 E HN 1.086 nan 8.360 nan 0.000 0.467 431 H N -0.754 118.370 119.070 0.090 0.000 2.556 431 H HA 0.182 4.738 4.556 -0.000 0.000 0.268 431 H C 1.227 176.476 175.328 -0.131 0.000 0.996 431 H CA 1.117 57.198 56.048 0.055 0.000 1.157 431 H CB -0.192 29.575 29.762 0.009 0.000 1.355 431 H HN 0.333 nan 8.280 nan 0.000 0.597 432 T N -2.852 111.391 114.554 -0.519 0.000 3.054 432 T HA 0.088 4.437 4.350 -0.000 0.000 0.255 432 T C 0.875 175.441 174.700 -0.224 0.000 1.035 432 T CA -0.125 61.683 62.100 -0.487 0.000 0.941 432 T CB -0.135 68.478 68.868 -0.426 0.000 1.026 432 T HN 0.264 nan 8.240 nan 0.000 0.533 433 S N 1.494 117.190 115.700 -0.006 0.000 2.515 433 S HA 0.098 4.568 4.470 -0.000 0.000 0.285 433 S C 1.353 176.045 174.600 0.154 0.000 1.265 433 S CA -0.251 58.019 58.200 0.116 0.000 1.079 433 S CB 0.956 64.301 63.200 0.241 0.000 0.877 433 S HN 0.480 nan 8.310 nan 0.000 0.493 434 E N 3.551 123.761 120.200 0.017 0.000 2.097 434 E HA -0.188 4.162 4.350 -0.000 0.000 0.196 434 E C 0.903 177.253 176.600 -0.417 0.000 1.000 434 E CA 1.964 58.276 56.400 -0.147 0.000 0.804 434 E CB 0.001 29.535 29.700 -0.278 0.000 0.740 434 E HN 0.879 nan 8.360 nan 0.000 0.454 435 H N -2.637 116.313 119.070 -0.199 0.000 3.230 435 H HA 0.160 4.716 4.556 -0.000 0.000 0.259 435 H C -0.313 174.668 175.328 -0.577 0.000 1.195 435 H CA 0.037 55.812 56.048 -0.454 0.000 1.112 435 H CB 0.351 29.613 29.762 -0.833 0.000 1.638 435 H HN 0.205 nan 8.280 nan 0.000 0.624 436 Y N 1.420 121.907 120.300 0.312 0.000 2.672 436 Y HA 0.096 4.646 4.550 -0.000 0.000 0.272 436 Y C 0.518 176.617 175.900 0.332 0.000 1.055 436 Y CA -1.098 57.199 58.100 0.328 0.000 1.151 436 Y CB -0.044 38.646 38.460 0.385 0.000 1.190 436 Y HN 0.142 nan 8.280 nan 0.000 0.574 437 N N 0.013 118.945 118.700 0.387 0.000 2.441 437 N HA 0.321 5.061 4.740 -0.000 0.000 0.251 437 N C 1.267 176.949 175.510 0.287 0.000 1.242 437 N CA 1.013 54.272 53.050 0.349 0.000 0.898 437 N CB 0.815 39.530 38.487 0.380 0.000 1.100 437 N HN 0.434 nan 8.380 nan 0.000 0.443 438 G N -0.793 108.068 108.800 0.103 0.000 2.175 438 G HA2 -0.255 3.705 3.960 -0.000 0.000 0.244 438 G HA3 -0.255 3.705 3.960 -0.000 0.000 0.244 438 G C -0.662 173.710 174.900 -0.880 0.000 0.982 438 G CA 0.335 45.258 45.100 -0.296 0.000 0.641 438 G HN 0.639 nan 8.290 nan 0.000 0.527 439 Y N -1.690 118.494 120.300 -0.194 0.000 2.633 439 Y HA 0.587 5.137 4.550 -0.000 0.000 0.339 439 Y C 1.473 177.202 175.900 -0.286 0.000 1.045 439 Y CA -0.473 57.400 58.100 -0.378 0.000 1.098 439 Y CB 1.503 39.453 38.460 -0.850 0.000 1.296 439 Y HN -0.092 nan 8.280 nan 0.000 0.494 440 V N 1.039 120.918 119.914 -0.059 0.000 2.358 440 V HA -0.285 3.835 4.120 -0.000 0.000 0.246 440 V C 2.305 178.447 176.094 0.079 0.000 1.047 440 V CA 2.446 64.735 62.300 -0.018 0.000 1.035 440 V CB -0.798 30.992 31.823 -0.055 0.000 0.658 440 V HN 0.935 nan 8.190 nan 0.000 0.452 441 H N 0.064 119.225 119.070 0.151 0.000 2.421 441 H HA -0.047 4.509 4.556 -0.000 0.000 0.298 441 H C 2.356 177.837 175.328 0.254 0.000 1.087 441 H CA 1.616 57.735 56.048 0.119 0.000 1.330 441 H CB -0.781 28.924 29.762 -0.094 0.000 1.388 441 H HN 0.402 nan 8.280 nan 0.000 0.526 442 G N 1.063 109.905 108.800 0.069 0.000 2.402 442 G HA2 -0.170 3.790 3.960 -0.000 0.000 0.216 442 G HA3 -0.170 3.790 3.960 -0.000 0.000 0.216 442 G C 2.053 177.078 174.900 0.209 0.000 1.162 442 G CA 1.467 46.739 45.100 0.287 0.000 0.777 442 G HN 0.628 nan 8.290 nan 0.000 0.539 443 A N 0.093 122.999 122.820 0.143 0.000 1.877 443 A HA -0.061 4.259 4.320 -0.000 0.000 0.216 443 A C 2.195 179.860 177.584 0.135 0.000 1.186 443 A CA 1.785 53.891 52.037 0.115 0.000 0.620 443 A CB -0.769 18.290 19.000 0.099 0.000 0.822 443 A HN 0.484 nan 8.150 nan 0.000 0.443 444 Y N 0.629 120.974 120.300 0.075 0.000 2.070 444 Y HA -0.209 4.340 4.550 -0.000 0.000 0.280 444 Y C 1.986 177.940 175.900 0.089 0.000 1.148 444 Y CA 2.133 60.280 58.100 0.078 0.000 1.125 444 Y CB -0.427 38.087 38.460 0.091 0.000 0.975 444 Y HN 0.205 nan 8.280 nan 0.000 0.492 445 L N 0.014 121.318 121.223 0.134 0.000 2.131 445 L HA -0.191 4.149 4.340 -0.000 0.000 0.210 445 L C 2.726 179.592 176.870 -0.006 0.000 1.092 445 L CA 1.429 56.296 54.840 0.045 0.000 0.759 445 L CB -0.879 41.373 42.059 0.321 0.000 0.903 445 L HN 0.415 nan 8.230 nan 0.000 0.435 446 S N -0.051 115.670 115.700 0.035 0.000 2.383 446 S HA -0.111 4.359 4.470 -0.000 0.000 0.227 446 S C 2.095 176.651 174.600 -0.072 0.000 1.026 446 S CA 0.960 59.153 58.200 -0.012 0.000 0.981 446 S CB -0.860 62.326 63.200 -0.023 0.000 0.818 446 S HN 0.413 nan 8.310 nan 0.000 0.472 447 G N 1.787 110.524 108.800 -0.105 0.000 2.418 447 G HA2 -0.053 3.907 3.960 -0.000 0.000 0.217 447 G HA3 -0.053 3.907 3.960 -0.000 0.000 0.217 447 G C 1.416 176.217 174.900 -0.165 0.000 1.158 447 G CA 0.955 45.979 45.100 -0.128 0.000 0.771 447 G HN 0.567 nan 8.290 nan 0.000 0.545 448 I N 1.073 121.511 120.570 -0.220 0.000 2.202 448 I HA -0.117 4.053 4.170 -0.000 0.000 0.242 448 I C 2.288 178.333 176.117 -0.120 0.000 1.091 448 I CA 1.265 62.447 61.300 -0.196 0.000 1.368 448 I CB -0.151 37.708 38.000 -0.236 0.000 1.058 448 I HN 0.037 nan 8.210 nan 0.000 0.410 449 D N 0.427 120.779 120.400 -0.080 0.000 2.117 449 D HA -0.131 4.509 4.640 -0.000 0.000 0.197 449 D C 2.386 178.650 176.300 -0.060 0.000 0.987 449 D CA 1.302 55.272 54.000 -0.049 0.000 0.829 449 D CB -0.300 40.489 40.800 -0.019 0.000 0.961 449 D HN 0.179 nan 8.370 nan 0.000 0.460 450 S N 0.596 116.257 115.700 -0.066 0.000 2.368 450 S HA -0.134 4.336 4.470 -0.000 0.000 0.225 450 S C 2.126 176.665 174.600 -0.103 0.000 1.030 450 S CA 1.157 59.328 58.200 -0.047 0.000 0.999 450 S CB -0.243 62.935 63.200 -0.037 0.000 0.844 450 S HN 0.382 nan 8.310 nan 0.000 0.459 451 A N 1.574 124.308 122.820 -0.143 0.000 1.902 451 A HA -0.136 4.184 4.320 -0.000 0.000 0.217 451 A C 1.988 179.455 177.584 -0.196 0.000 1.181 451 A CA 1.407 53.324 52.037 -0.200 0.000 0.623 451 A CB -0.537 18.346 19.000 -0.194 0.000 0.818 451 A HN 0.548 nan 8.150 nan 0.000 0.443 452 E N -0.438 119.678 120.200 -0.139 0.000 2.110 452 E HA -0.151 4.199 4.350 -0.000 0.000 0.193 452 E C 1.810 178.342 176.600 -0.112 0.000 0.988 452 E CA 1.147 57.476 56.400 -0.117 0.000 0.804 452 E CB -0.286 29.367 29.700 -0.079 0.000 0.745 452 E HN 0.713 nan 8.360 nan 0.000 0.458 453 I N 0.730 121.248 120.570 -0.087 0.000 2.252 453 I HA -0.241 3.929 4.170 -0.000 0.000 0.245 453 I C 2.362 178.413 176.117 -0.110 0.000 1.102 453 I CA 0.488 61.768 61.300 -0.033 0.000 1.385 453 I CB -0.098 37.940 38.000 0.063 0.000 1.064 453 I HN 0.142 nan 8.210 nan 0.000 0.414 454 L N 0.902 121.916 121.223 -0.348 0.000 2.093 454 L HA -0.148 4.192 4.340 -0.000 0.000 0.208 454 L C 2.259 178.820 176.870 -0.515 0.000 1.085 454 L CA 1.807 56.166 54.840 -0.802 0.000 0.755 454 L CB -0.515 40.891 42.059 -1.088 0.000 0.904 454 L HN 0.126 nan 8.230 nan 0.000 0.435 455 I N 0.121 120.482 120.570 -0.348 0.000 2.163 455 I HA -0.319 3.850 4.170 -0.000 0.000 0.243 455 I C 2.069 178.083 176.117 -0.172 0.000 1.085 455 I CA 1.401 62.551 61.300 -0.250 0.000 1.347 455 I CB -0.557 37.334 38.000 -0.181 0.000 1.044 455 I HN 0.360 nan 8.210 nan 0.000 0.408 456 N N -0.086 118.539 118.700 -0.126 0.000 2.244 456 N HA -0.182 4.558 4.740 -0.000 0.000 0.183 456 N C 1.866 177.342 175.510 -0.057 0.000 1.016 456 N CA 1.309 54.315 53.050 -0.073 0.000 0.866 456 N CB -0.767 37.694 38.487 -0.044 0.000 0.980 456 N HN 0.445 nan 8.380 nan 0.000 0.430 457 c N 0.745 119.305 118.600 -0.067 0.000 2.489 457 c HA 0.200 4.770 4.570 -0.000 0.000 0.279 457 c C 2.783 176.854 174.090 -0.031 0.000 1.266 457 c CA 1.061 57.388 56.329 -0.004 0.000 1.707 457 c CB -1.101 41.462 42.510 0.089 0.000 2.059 457 c HN 0.456 nan 8.230 nan 0.000 0.481 458 A N -0.339 122.381 122.820 -0.166 0.000 1.873 458 A HA -0.166 4.154 4.320 -0.000 0.000 0.215 458 A C 2.119 179.663 177.584 -0.067 0.000 1.186 458 A CA 1.762 53.712 52.037 -0.145 0.000 0.616 458 A CB -0.704 18.021 19.000 -0.458 0.000 0.823 458 A HN 0.816 nan 8.150 nan 0.000 0.442 459 Q N -0.585 119.154 119.800 -0.101 0.000 2.089 459 Q HA -0.026 4.314 4.340 -0.000 0.000 0.195 459 Q C 1.363 177.344 176.000 -0.032 0.000 0.963 459 Q CA 1.306 57.074 55.803 -0.058 0.000 0.834 459 Q CB -0.062 28.633 28.738 -0.072 0.000 0.906 459 Q HN 0.615 nan 8.270 nan 0.000 0.452 460 K N 0.349 120.730 120.400 -0.033 0.000 2.374 460 K HA 0.093 4.413 4.320 -0.000 0.000 0.196 460 K C -0.290 176.309 176.600 -0.002 0.000 1.023 460 K CA -0.073 56.204 56.287 -0.016 0.000 1.103 460 K CB 0.648 33.136 32.500 -0.020 0.000 0.848 460 K HN -0.092 nan 8.250 nan 0.000 0.528 461 K N 0.422 120.825 120.400 0.006 0.000 3.071 461 K HA -0.194 4.126 4.320 -0.000 0.000 0.265 461 K C -0.510 176.103 176.600 0.021 0.000 1.060 461 K CA 1.165 57.468 56.287 0.025 0.000 0.767 461 K CB -2.064 30.454 32.500 0.029 0.000 1.241 461 K HN 0.379 nan 8.250 nan 0.000 0.486 462 M N 0.536 120.143 119.600 0.011 0.000 2.027 462 M HA 0.174 4.654 4.480 -0.000 0.000 0.329 462 M C -0.013 176.298 176.300 0.019 0.000 0.971 462 M CA -0.428 54.879 55.300 0.011 0.000 0.933 462 M CB 1.063 33.663 32.600 0.001 0.000 1.392 462 M HN 0.092 nan 8.290 nan 0.000 0.394 463 c N 0.000 118.619 118.600 0.032 0.000 2.653 463 c HA 0.000 4.570 4.570 -0.000 0.000 0.325 463 c CA 0.000 56.357 56.329 0.047 0.000 1.963 463 c CB 0.000 42.552 42.510 0.070 0.000 2.134 463 c HN 0.000 nan 8.230 nan 0.000 0.568