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 1h84_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 0.000 177.345 177.300 0.075 0.000 1.155 5 P CA 0.000 63.154 63.100 0.090 0.000 0.800 5 P CB 0.000 31.810 31.700 0.184 0.000 0.726 6 R N 0.801 121.350 120.500 0.082 0.000 2.357 6 R HA 0.631 4.971 4.340 -0.000 0.000 0.296 6 R C -0.997 175.355 176.300 0.087 0.000 1.052 6 R CA -0.405 55.729 56.100 0.056 0.000 0.988 6 R CB 0.830 31.154 30.300 0.039 0.000 1.025 6 R HN 0.263 nan 8.270 nan 0.000 0.469 7 V N 6.492 126.432 119.914 0.045 0.000 2.588 7 V HA 0.391 4.511 4.120 -0.000 0.000 0.304 7 V C -0.133 175.958 176.094 -0.004 0.000 1.042 7 V CA -0.746 61.580 62.300 0.043 0.000 0.877 7 V CB 1.906 33.721 31.823 -0.014 0.000 0.996 7 V HN 0.723 nan 8.190 nan 0.000 0.425 8 I N 4.349 124.916 120.570 -0.005 0.000 2.385 8 I HA 0.479 4.649 4.170 -0.000 0.000 0.294 8 I C -0.571 175.512 176.117 -0.056 0.000 0.988 8 I CA -0.732 60.536 61.300 -0.053 0.000 1.265 8 I CB 1.935 39.898 38.000 -0.061 0.000 1.388 8 I HN 0.276 nan 8.210 nan 0.000 0.480 9 V N 7.111 126.979 119.914 -0.076 0.000 2.384 9 V HA 0.279 4.399 4.120 -0.000 0.000 0.287 9 V C -0.031 176.015 176.094 -0.081 0.000 1.020 9 V CA -0.724 61.535 62.300 -0.068 0.000 0.850 9 V CB 1.798 33.588 31.823 -0.055 0.000 0.987 9 V HN 0.368 nan 8.190 nan 0.000 0.436 10 V N 4.416 124.288 119.914 -0.070 0.000 2.385 10 V HA 0.823 4.943 4.120 -0.000 0.000 0.269 10 V C 0.689 176.746 176.094 -0.062 0.000 1.043 10 V CA 0.435 62.688 62.300 -0.078 0.000 0.906 10 V CB 0.504 32.289 31.823 -0.063 0.000 0.995 10 V HN 1.305 nan 8.190 nan 0.000 0.467 11 G N 4.193 112.938 108.800 -0.092 0.000 3.055 11 G HA2 0.276 4.235 3.960 -0.000 0.000 0.686 11 G HA3 0.276 4.235 3.960 -0.000 0.000 0.686 11 G C -0.155 174.710 174.900 -0.059 0.000 1.087 11 G CA -0.294 44.757 45.100 -0.083 0.000 0.779 11 G HN 1.509 nan 8.290 nan 0.000 0.599 12 A N 1.707 124.485 122.820 -0.071 0.000 2.827 12 A HA 0.781 5.101 4.320 -0.000 0.000 0.300 12 A C 1.370 178.938 177.584 -0.025 0.000 1.237 12 A CA 1.128 53.131 52.037 -0.056 0.000 0.964 12 A CB -0.229 18.715 19.000 -0.095 0.000 1.143 12 A HN 2.131 nan 8.150 nan 0.000 0.554 13 G N -1.204 107.608 108.800 0.020 0.000 2.508 13 G HA2 0.359 4.319 3.960 -0.000 0.000 0.278 13 G HA3 0.359 4.319 3.960 -0.000 0.000 0.278 13 G C 0.895 175.828 174.900 0.056 0.000 1.389 13 G CA 0.159 45.300 45.100 0.068 0.000 1.050 13 G HN 0.319 nan 8.290 nan 0.000 0.522 14 M N 0.442 120.085 119.600 0.071 0.000 2.108 14 M HA -0.127 4.353 4.480 -0.000 0.000 0.261 14 M C 2.605 178.958 176.300 0.087 0.000 1.066 14 M CA 2.754 58.105 55.300 0.085 0.000 1.107 14 M CB -0.501 32.152 32.600 0.089 0.000 1.356 14 M HN 0.519 nan 8.290 nan 0.000 0.406 15 S N -0.939 114.801 115.700 0.067 0.000 2.406 15 S HA 0.064 4.534 4.470 -0.000 0.000 0.228 15 S C 2.162 176.767 174.600 0.009 0.000 1.020 15 S CA 0.788 59.007 58.200 0.032 0.000 0.965 15 S CB -1.649 61.565 63.200 0.023 0.000 0.798 15 S HN 0.598 nan 8.310 nan 0.000 0.488 16 G N 2.273 111.086 108.800 0.021 0.000 2.402 16 G HA2 -0.044 3.915 3.960 -0.000 0.000 0.216 16 G HA3 -0.044 3.915 3.960 -0.000 0.000 0.216 16 G C 1.369 176.281 174.900 0.020 0.000 1.162 16 G CA 0.883 45.985 45.100 0.005 0.000 0.777 16 G HN 0.453 nan 8.290 nan 0.000 0.539 17 I N 1.254 121.854 120.570 0.049 0.000 2.315 17 I HA -0.090 4.080 4.170 -0.000 0.000 0.248 17 I C 2.888 179.072 176.117 0.111 0.000 1.117 17 I CA 1.346 62.717 61.300 0.119 0.000 1.404 17 I CB -0.862 37.194 38.000 0.094 0.000 1.071 17 I HN 0.250 nan 8.210 nan 0.000 0.419 18 S N 0.736 116.465 115.700 0.048 0.000 2.368 18 S HA -0.115 4.355 4.470 -0.000 0.000 0.224 18 S C 2.249 176.767 174.600 -0.136 0.000 1.029 18 S CA 1.467 59.645 58.200 -0.038 0.000 0.988 18 S CB -0.069 63.078 63.200 -0.089 0.000 0.838 18 S HN 0.456 nan 8.310 nan 0.000 0.462 19 A N 1.478 124.229 122.820 -0.114 0.000 1.873 19 A HA 0.234 4.554 4.320 -0.000 0.000 0.215 19 A C 2.496 179.966 177.584 -0.190 0.000 1.186 19 A CA 1.838 53.787 52.037 -0.148 0.000 0.616 19 A CB -1.490 17.444 19.000 -0.111 0.000 0.823 19 A HN 0.763 nan 8.150 nan 0.000 0.442 20 A N -0.033 122.693 122.820 -0.156 0.000 1.908 20 A HA -0.233 4.087 4.320 -0.000 0.000 0.218 20 A C 2.141 179.381 177.584 -0.573 0.000 1.181 20 A CA 2.226 54.138 52.037 -0.210 0.000 0.627 20 A CB -0.537 18.472 19.000 0.015 0.000 0.818 20 A HN 0.587 nan 8.150 nan 0.000 0.445 21 K N -0.743 119.197 120.400 -0.766 0.000 2.063 21 K HA -0.232 4.088 4.320 -0.000 0.000 0.208 21 K C 2.244 178.533 176.600 -0.518 0.000 1.048 21 K CA 1.799 57.460 56.287 -1.042 0.000 0.928 21 K CB -0.135 32.077 32.500 -0.480 0.000 0.713 21 K HN 0.301 nan 8.250 nan 0.000 0.442 22 R N 0.342 120.640 120.500 -0.337 0.000 2.115 22 R HA -0.031 4.309 4.340 -0.000 0.000 0.226 22 R C 1.940 178.107 176.300 -0.222 0.000 1.100 22 R CA 0.889 56.847 56.100 -0.237 0.000 0.980 22 R CB -0.410 29.769 30.300 -0.201 0.000 0.875 22 R HN 0.176 nan 8.270 nan 0.000 0.445 23 L N -0.006 121.068 121.223 -0.247 0.000 2.027 23 L HA -0.005 4.335 4.340 -0.000 0.000 0.206 23 L C 2.330 179.085 176.870 -0.192 0.000 1.074 23 L CA 2.120 56.833 54.840 -0.210 0.000 0.745 23 L CB -1.326 40.610 42.059 -0.205 0.000 0.898 23 L HN 0.292 nan 8.230 nan 0.000 0.433 24 S N -0.562 114.989 115.700 -0.249 0.000 2.359 24 S HA -0.225 4.245 4.470 -0.000 0.000 0.224 24 S C 1.810 176.322 174.600 -0.146 0.000 1.035 24 S CA 1.529 59.613 58.200 -0.192 0.000 1.018 24 S CB -0.165 62.859 63.200 -0.293 0.000 0.876 24 S HN 0.542 nan 8.310 nan 0.000 0.448 25 E N 0.604 120.700 120.200 -0.174 0.000 2.265 25 E HA -0.050 4.300 4.350 -0.000 0.000 0.196 25 E C 1.799 178.344 176.600 -0.092 0.000 0.996 25 E CA 0.889 57.220 56.400 -0.114 0.000 0.832 25 E CB -0.206 29.426 29.700 -0.113 0.000 0.756 25 E HN 0.630 nan 8.360 nan 0.000 0.491 26 A N 0.131 122.887 122.820 -0.107 0.000 2.307 26 A HA 0.344 4.664 4.320 -0.000 0.000 0.218 26 A C 1.621 179.159 177.584 -0.077 0.000 1.228 26 A CA 0.609 52.592 52.037 -0.090 0.000 0.857 26 A CB -0.171 18.763 19.000 -0.110 0.000 0.897 26 A HN 0.301 nan 8.150 nan 0.000 0.495 27 G N -0.631 108.126 108.800 -0.073 0.000 2.176 27 G HA2 -0.217 3.743 3.960 -0.000 0.000 0.253 27 G HA3 -0.217 3.743 3.960 -0.000 0.000 0.253 27 G C 0.134 175.000 174.900 -0.056 0.000 0.979 27 G CA 0.223 45.291 45.100 -0.054 0.000 0.641 27 G HN 0.515 nan 8.290 nan 0.000 0.530 28 I N 2.660 123.183 120.570 -0.079 0.000 2.269 28 I HA 0.280 4.450 4.170 -0.000 0.000 0.293 28 I C 1.614 177.692 176.117 -0.065 0.000 1.106 28 I CA 0.584 61.840 61.300 -0.074 0.000 1.248 28 I CB 0.859 38.796 38.000 -0.106 0.000 1.444 28 I HN 0.249 nan 8.210 nan 0.000 0.497 29 T N -0.780 113.753 114.554 -0.035 0.000 3.023 29 T HA 0.038 4.387 4.350 -0.000 0.000 0.253 29 T C 0.646 175.346 174.700 0.001 0.000 1.038 29 T CA -0.234 61.859 62.100 -0.012 0.000 0.962 29 T CB -0.028 68.840 68.868 0.001 0.000 1.018 29 T HN 0.359 nan 8.240 nan 0.000 0.521 30 D N 1.877 122.275 120.400 -0.004 0.000 2.551 30 D HA 0.316 4.956 4.640 -0.000 0.000 0.223 30 D C -0.384 175.916 176.300 -0.000 0.000 1.144 30 D CA -0.327 53.675 54.000 0.004 0.000 1.025 30 D CB -0.692 40.113 40.800 0.009 0.000 1.085 30 D HN 0.460 nan 8.370 nan 0.000 0.506 31 L N 1.919 123.141 121.223 -0.000 0.000 2.322 31 L HA 0.594 4.934 4.340 -0.000 0.000 0.269 31 L C -0.653 176.203 176.870 -0.023 0.000 1.012 31 L CA -1.344 53.490 54.840 -0.010 0.000 0.815 31 L CB 1.948 44.011 42.059 0.006 0.000 1.295 31 L HN 0.123 nan 8.230 nan 0.000 0.438 32 L N 2.856 124.047 121.223 -0.054 0.000 2.491 32 L HA 0.531 4.871 4.340 -0.000 0.000 0.267 32 L C -1.186 175.607 176.870 -0.128 0.000 0.971 32 L CA 0.066 54.842 54.840 -0.107 0.000 0.857 32 L CB 1.333 43.293 42.059 -0.166 0.000 1.226 32 L HN 0.366 nan 8.230 nan 0.000 0.408 33 I N 6.164 126.667 120.570 -0.111 0.000 2.304 33 I HA 0.333 4.503 4.170 -0.000 0.000 0.291 33 I C -0.636 175.389 176.117 -0.153 0.000 1.018 33 I CA -0.397 60.840 61.300 -0.107 0.000 1.260 33 I CB 1.053 39.015 38.000 -0.063 0.000 1.390 33 I HN 0.466 nan 8.210 nan 0.000 0.475 34 L N 6.450 127.567 121.223 -0.176 0.000 2.280 34 L HA 0.436 4.776 4.340 -0.000 0.000 0.287 34 L C -0.205 176.560 176.870 -0.176 0.000 1.023 34 L CA -0.482 54.239 54.840 -0.198 0.000 0.819 34 L CB 1.322 43.236 42.059 -0.242 0.000 1.212 34 L HN 0.524 nan 8.230 nan 0.000 0.420 35 E N 2.414 122.504 120.200 -0.183 0.000 2.171 35 E HA 0.520 4.870 4.350 -0.000 0.000 0.271 35 E C 0.345 176.767 176.600 -0.297 0.000 0.916 35 E CA -0.271 55.995 56.400 -0.224 0.000 0.774 35 E CB 2.070 31.652 29.700 -0.196 0.000 1.128 35 E HN 0.552 nan 8.360 nan 0.000 0.403 36 A N 3.548 126.098 122.820 -0.450 0.000 1.877 36 A HA -0.027 4.293 4.320 -0.000 0.000 0.216 36 A C 1.326 178.541 177.584 -0.615 0.000 1.186 36 A CA 1.813 53.426 52.037 -0.708 0.000 0.620 36 A CB -1.158 16.958 19.000 -1.472 0.000 0.822 36 A HN 0.756 nan 8.150 nan 0.000 0.443 37 T N -1.656 112.580 114.554 -0.530 0.000 2.770 37 T HA 0.328 4.678 4.350 -0.000 0.000 0.281 37 T C 0.357 174.923 174.700 -0.224 0.000 0.981 37 T CA 0.225 62.134 62.100 -0.320 0.000 0.955 37 T CB 0.661 69.265 68.868 -0.441 0.000 1.060 37 T HN 0.364 nan 8.240 nan 0.000 0.531 38 D N -0.762 119.605 120.400 -0.054 0.000 2.325 38 D HA 0.056 4.696 4.640 -0.000 0.000 0.234 38 D C 0.651 177.025 176.300 0.124 0.000 1.122 38 D CA -0.159 53.871 54.000 0.050 0.000 0.850 38 D CB -0.627 40.250 40.800 0.128 0.000 0.921 38 D HN 0.850 nan 8.370 nan 0.000 0.513 39 H N -1.597 117.487 119.070 0.022 0.000 2.981 39 H HA 0.416 4.972 4.556 -0.000 0.000 0.327 39 H C -0.405 174.929 175.328 0.009 0.000 1.342 39 H CA -1.177 54.909 56.048 0.063 0.000 1.123 39 H CB 0.571 30.419 29.762 0.144 0.000 1.851 39 H HN 0.012 nan 8.280 nan 0.000 0.531 40 I N -2.725 117.894 120.570 0.081 0.000 3.062 40 I HA 0.689 4.859 4.170 -0.000 0.000 0.316 40 I C 1.049 177.207 176.117 0.069 0.000 1.041 40 I CA -0.083 61.177 61.300 -0.067 0.000 1.069 40 I CB 1.621 39.483 38.000 -0.230 0.000 1.300 40 I HN 0.940 nan 8.210 nan 0.000 0.518 41 G N 0.772 109.586 108.800 0.025 0.000 2.259 41 G HA2 -0.046 3.914 3.960 -0.000 0.000 0.217 41 G HA3 -0.046 3.914 3.960 -0.000 0.000 0.217 41 G C 1.006 176.019 174.900 0.188 0.000 1.001 41 G CA 0.199 45.370 45.100 0.118 0.000 0.627 41 G HN 2.026 nan 8.290 nan 0.000 0.501 42 G N 0.660 109.600 108.800 0.233 0.000 2.665 42 G HA2 -0.431 3.529 3.960 -0.000 0.000 0.326 42 G HA3 -0.431 3.529 3.960 -0.000 0.000 0.326 42 G C 1.014 176.099 174.900 0.309 0.000 1.231 42 G CA 1.635 46.949 45.100 0.356 0.000 0.992 42 G HN 1.216 nan 8.290 nan 0.000 0.549 43 R N 0.373 120.985 120.500 0.187 0.000 2.339 43 R HA 0.229 4.569 4.340 -0.000 0.000 0.199 43 R C 0.853 177.172 176.300 0.031 0.000 1.018 43 R CA 0.490 56.559 56.100 -0.052 0.000 1.036 43 R CB -0.111 30.058 30.300 -0.218 0.000 0.899 43 R HN 0.418 nan 8.270 nan 0.000 0.473 44 M N 0.359 120.033 119.600 0.123 0.000 2.055 44 M HA 0.200 4.680 4.480 -0.000 0.000 0.346 44 M C -1.044 175.442 176.300 0.310 0.000 1.074 44 M CA -0.358 55.002 55.300 0.100 0.000 1.009 44 M CB 1.319 33.885 32.600 -0.058 0.000 1.423 44 M HN -0.053 nan 8.290 nan 0.000 0.410 45 H N 2.720 121.916 119.070 0.210 0.000 3.129 45 H HA 0.372 4.928 4.556 -0.000 0.000 0.342 45 H C -1.541 173.880 175.328 0.155 0.000 1.092 45 H CA -0.954 55.211 56.048 0.194 0.000 1.310 45 H CB 1.463 31.373 29.762 0.247 0.000 1.932 45 H HN 0.611 nan 8.280 nan 0.000 0.507 46 K N 2.694 122.857 120.400 -0.395 0.000 2.132 46 K HA 0.739 5.059 4.320 -0.000 0.000 0.241 46 K C -0.883 175.451 176.600 -0.444 0.000 1.000 46 K CA -0.748 55.364 56.287 -0.292 0.000 0.911 46 K CB 2.189 34.589 32.500 -0.166 0.000 1.093 46 K HN 0.458 nan 8.250 nan 0.000 0.460 47 T N -0.357 114.039 114.554 -0.264 0.000 2.840 47 T HA 0.157 4.507 4.350 -0.000 0.000 0.317 47 T C -1.767 172.836 174.700 -0.161 0.000 1.401 47 T CA -0.886 61.088 62.100 -0.210 0.000 1.028 47 T CB 1.303 70.080 68.868 -0.153 0.000 1.317 47 T HN 0.739 nan 8.240 nan 0.000 0.495 48 N N 2.460 121.095 118.700 -0.107 0.000 2.458 48 N HA 0.383 5.123 4.740 -0.000 0.000 0.270 48 N C -1.533 173.965 175.510 -0.020 0.000 1.102 48 N CA 0.001 53.000 53.050 -0.086 0.000 0.967 48 N CB 0.500 38.944 38.487 -0.072 0.000 1.078 48 N HN 0.485 nan 8.380 nan 0.000 0.471 49 F N 3.212 123.020 119.950 -0.237 0.000 2.557 49 F HA 0.480 5.007 4.527 -0.000 0.000 0.316 49 F C 0.165 175.858 175.800 -0.179 0.000 1.141 49 F CA -0.336 57.536 58.000 -0.214 0.000 0.922 49 F CB 1.040 39.845 39.000 -0.324 0.000 1.194 49 F HN 0.649 nan 8.300 nan 0.000 0.443 50 A N 3.816 126.194 122.820 -0.737 0.000 2.791 50 A HA 0.158 4.478 4.320 -0.000 0.000 0.292 50 A C 1.576 178.995 177.584 -0.275 0.000 1.487 50 A CA 1.384 53.074 52.037 -0.577 0.000 0.760 50 A CB -2.249 16.368 19.000 -0.638 0.000 1.031 50 A HN 2.757 nan 8.150 nan 0.000 0.503 51 G N -1.915 106.764 108.800 -0.202 0.000 2.168 51 G HA2 -0.092 3.868 3.960 -0.000 0.000 0.257 51 G HA3 -0.092 3.868 3.960 -0.000 0.000 0.257 51 G C 0.376 175.205 174.900 -0.119 0.000 0.997 51 G CA 1.095 46.118 45.100 -0.129 0.000 0.708 51 G HN 2.628 nan 8.290 nan 0.000 0.520 52 I N -3.775 116.703 120.570 -0.154 0.000 2.894 52 I HA 0.667 4.837 4.170 -0.000 0.000 0.302 52 I C -1.208 174.787 176.117 -0.203 0.000 1.188 52 I CA -1.550 59.646 61.300 -0.174 0.000 1.014 52 I CB 1.891 39.743 38.000 -0.248 0.000 1.242 52 I HN -0.151 nan 8.210 nan 0.000 0.430 53 N N 4.085 122.671 118.700 -0.188 0.000 2.419 53 N HA 0.530 5.270 4.740 -0.000 0.000 0.264 53 N C -0.460 174.893 175.510 -0.261 0.000 1.031 53 N CA -0.222 52.718 53.050 -0.183 0.000 0.951 53 N CB 1.776 40.199 38.487 -0.108 0.000 1.101 53 N HN 0.579 nan 8.380 nan 0.000 0.488 54 V N -0.693 119.021 119.914 -0.334 0.000 3.046 54 V HA 0.575 4.695 4.120 -0.000 0.000 0.316 54 V C 0.040 176.003 176.094 -0.218 0.000 1.104 54 V CA -0.998 61.069 62.300 -0.389 0.000 1.006 54 V CB 2.193 33.455 31.823 -0.936 0.000 1.058 54 V HN 0.317 nan 8.190 nan 0.000 0.440 55 E N 1.823 122.015 120.200 -0.013 0.000 2.223 55 E HA 0.349 4.699 4.350 -0.000 0.000 0.282 55 E C 0.555 177.309 176.600 0.258 0.000 1.046 55 E CA -0.073 56.400 56.400 0.122 0.000 0.857 55 E CB 1.748 31.549 29.700 0.168 0.000 1.055 55 E HN 0.696 nan 8.360 nan 0.000 0.409 56 L N 1.571 122.958 121.223 0.272 0.000 2.240 56 L HA 0.008 4.348 4.340 -0.000 0.000 0.211 56 L C 1.491 178.791 176.870 0.715 0.000 1.106 56 L CA 1.082 56.205 54.840 0.470 0.000 0.793 56 L CB -0.056 42.249 42.059 0.409 0.000 0.927 56 L HN 0.497 nan 8.230 nan 0.000 0.446 57 G N -0.891 108.238 108.800 0.549 0.000 3.310 57 G HA2 0.554 4.514 3.960 -0.000 0.000 0.176 57 G HA3 0.554 4.514 3.960 -0.000 0.000 0.176 57 G C -0.312 174.712 174.900 0.207 0.000 1.307 57 G CA 0.147 45.411 45.100 0.272 0.000 0.935 57 G HN 0.181 nan 8.290 nan 0.000 0.628 58 A N -0.757 122.125 122.820 0.102 0.000 2.520 58 A HA 0.349 4.669 4.320 -0.000 0.000 0.235 58 A C 0.630 178.412 177.584 0.329 0.000 1.065 58 A CA 0.955 53.093 52.037 0.169 0.000 0.764 58 A CB 0.061 19.087 19.000 0.044 0.000 1.002 58 A HN 0.718 nan 8.150 nan 0.000 0.502 59 N N -0.642 118.239 118.700 0.302 0.000 2.104 59 N HA 0.132 4.872 4.740 -0.000 0.000 0.227 59 N C -0.602 174.658 175.510 -0.416 0.000 1.321 59 N CA -0.282 52.667 53.050 -0.167 0.000 0.877 59 N CB 0.353 38.455 38.487 -0.642 0.000 1.117 59 N HN 0.758 nan 8.380 nan 0.000 0.486 60 W N 1.378 122.714 121.300 0.060 0.000 2.719 60 W HA 0.544 5.204 4.660 -0.000 0.000 0.352 60 W C -0.701 175.924 176.519 0.177 0.000 1.085 60 W CA -0.587 56.796 57.345 0.064 0.000 1.187 60 W CB 1.345 30.906 29.460 0.169 0.000 1.417 60 W HN -0.421 nan 8.180 nan 0.000 0.557 61 V N 2.304 122.451 119.914 0.389 0.000 2.350 61 V HA 0.157 4.277 4.120 -0.000 0.000 0.276 61 V C -0.072 176.209 176.094 0.311 0.000 1.028 61 V CA -0.470 62.050 62.300 0.366 0.000 0.860 61 V CB 0.957 32.955 31.823 0.291 0.000 0.990 61 V HN 0.390 nan 8.190 nan 0.000 0.453 62 E N 3.194 123.556 120.200 0.270 0.000 2.179 62 E HA 0.639 4.989 4.350 -0.000 0.000 0.275 62 E C 0.365 176.903 176.600 -0.103 0.000 0.945 62 E CA -0.343 56.144 56.400 0.143 0.000 0.792 62 E CB 1.905 31.671 29.700 0.110 0.000 1.125 62 E HN 0.982 nan 8.360 nan 0.000 0.397 63 G N 1.157 109.960 108.800 0.006 0.000 2.897 63 G HA2 -0.089 3.871 3.960 -0.000 0.000 0.436 63 G HA3 -0.089 3.871 3.960 -0.000 0.000 0.436 63 G C -0.748 174.103 174.900 -0.081 0.000 1.079 63 G CA -0.589 44.492 45.100 -0.031 0.000 1.090 63 G HN 0.344 nan 8.290 nan 0.000 0.480 64 V N 2.913 122.801 119.914 -0.043 0.000 2.971 64 V HA 0.737 4.857 4.120 -0.000 0.000 0.309 64 V C 0.626 176.670 176.094 -0.082 0.000 1.130 64 V CA -0.303 61.857 62.300 -0.234 0.000 0.964 64 V CB 2.055 33.542 31.823 -0.560 0.000 1.029 64 V HN 1.054 nan 8.190 nan 0.000 0.427 65 N N 0.748 119.387 118.700 -0.101 0.000 2.901 65 N HA -0.130 4.610 4.740 -0.000 0.000 0.248 65 N C 0.289 175.820 175.510 0.036 0.000 1.044 65 N CA 1.232 54.282 53.050 -0.001 0.000 0.847 65 N CB -1.012 37.501 38.487 0.042 0.000 1.127 65 N HN 1.053 nan 8.380 nan 0.000 0.562 66 G N -0.655 108.175 108.800 0.051 0.000 2.641 66 G HA2 0.556 4.516 3.960 -0.000 0.000 0.239 66 G HA3 0.556 4.516 3.960 -0.000 0.000 0.239 66 G C 1.130 176.068 174.900 0.064 0.000 1.402 66 G CA 0.145 45.282 45.100 0.062 0.000 1.046 66 G HN 0.132 nan 8.290 nan 0.000 0.565 67 G N -1.202 107.629 108.800 0.052 0.000 2.443 67 G HA2 0.087 4.047 3.960 -0.000 0.000 0.219 67 G HA3 0.087 4.047 3.960 -0.000 0.000 0.219 67 G C 0.770 175.714 174.900 0.074 0.000 1.131 67 G CA 0.633 45.760 45.100 0.045 0.000 0.775 67 G HN 0.401 nan 8.290 nan 0.000 0.547 68 K N -0.839 119.640 120.400 0.132 0.000 2.395 68 K HA 0.482 4.802 4.320 -0.000 0.000 0.247 68 K C -1.287 175.481 176.600 0.279 0.000 0.973 68 K CA -1.103 55.307 56.287 0.207 0.000 0.828 68 K CB 2.220 34.877 32.500 0.262 0.000 1.272 68 K HN 0.032 nan 8.250 nan 0.000 0.439 69 M N 2.897 122.597 119.600 0.166 0.000 2.120 69 M HA 0.125 4.605 4.480 -0.000 0.000 0.354 69 M C -0.334 175.792 176.300 -0.291 0.000 1.287 69 M CA -0.252 55.056 55.300 0.014 0.000 1.103 69 M CB 0.197 32.808 32.600 0.017 0.000 1.623 69 M HN 0.364 nan 8.290 nan 0.000 0.471 70 N N 7.350 125.663 118.700 -0.645 0.000 2.452 70 N HA 0.131 4.871 4.740 -0.000 0.000 0.266 70 N C -1.960 173.202 175.510 -0.580 0.000 1.175 70 N CA -1.454 50.793 53.050 -1.338 0.000 0.945 70 N CB 0.993 38.820 38.487 -1.100 0.000 1.063 70 N HN 0.470 nan 8.380 nan 0.000 0.472 71 P HA -0.162 nan 4.420 nan 0.000 0.218 71 P C 1.324 178.434 177.300 -0.316 0.000 1.146 71 P CA 0.927 63.867 63.100 -0.268 0.000 0.813 71 P CB 0.387 32.013 31.700 -0.123 0.000 0.778 72 I N -2.054 118.343 120.570 -0.287 0.000 2.876 72 I HA -0.094 4.076 4.170 -0.000 0.000 0.264 72 I C 2.516 178.614 176.117 -0.032 0.000 1.204 72 I CA 0.439 61.635 61.300 -0.173 0.000 1.485 72 I CB -1.434 36.560 38.000 -0.011 0.000 1.103 72 I HN 0.113 nan 8.210 nan 0.000 0.446 73 W N 3.666 124.816 121.300 -0.250 0.000 2.335 73 W HA -0.185 4.475 4.660 -0.000 0.000 0.311 73 W C -0.782 175.616 176.519 -0.203 0.000 1.213 73 W CA 1.474 58.686 57.345 -0.223 0.000 1.274 73 W CB -1.147 28.160 29.460 -0.255 0.000 1.148 73 W HN 0.054 nan 8.180 nan 0.000 0.498 74 P HA -0.174 nan 4.420 nan 0.000 0.217 74 P C 1.610 178.691 177.300 -0.366 0.000 1.150 74 P CA 1.988 64.862 63.100 -0.376 0.000 0.832 74 P CB -0.302 31.280 31.700 -0.197 0.000 0.787 75 I N -1.429 118.973 120.570 -0.280 0.000 2.179 75 I HA -0.198 3.972 4.170 -0.000 0.000 0.242 75 I C 2.211 178.133 176.117 -0.325 0.000 1.088 75 I CA 1.353 62.473 61.300 -0.299 0.000 1.357 75 I CB -0.801 37.068 38.000 -0.218 0.000 1.051 75 I HN -0.170 nan 8.210 nan 0.000 0.409 76 V N 0.883 120.628 119.914 -0.282 0.000 2.283 76 V HA -0.239 3.881 4.120 -0.000 0.000 0.243 76 V C 2.143 177.940 176.094 -0.495 0.000 1.039 76 V CA 2.191 64.322 62.300 -0.282 0.000 1.016 76 V CB -0.725 31.006 31.823 -0.153 0.000 0.650 76 V HN 0.420 nan 8.190 nan 0.000 0.449 77 N N -0.670 117.495 118.700 -0.892 0.000 2.409 77 N HA -0.067 4.673 4.740 -0.000 0.000 0.179 77 N C 1.718 176.850 175.510 -0.630 0.000 1.032 77 N CA 1.433 53.859 53.050 -1.040 0.000 0.898 77 N CB 0.213 37.481 38.487 -2.031 0.000 0.971 77 N HN 0.451 nan 8.380 nan 0.000 0.441 78 S N -2.182 113.209 115.700 -0.515 0.000 2.979 78 S HA 0.099 4.569 4.470 -0.000 0.000 0.243 78 S C 1.707 176.142 174.600 -0.275 0.000 1.036 78 S CA 0.274 58.269 58.200 -0.342 0.000 0.846 78 S CB -0.300 62.724 63.200 -0.293 0.000 0.806 78 S HN 0.198 nan 8.310 nan 0.000 0.568 79 T N 3.612 117.985 114.554 -0.303 0.000 2.622 79 T HA 0.043 4.393 4.350 -0.000 0.000 0.266 79 T C 1.616 176.136 174.700 -0.299 0.000 1.047 79 T CA 1.306 63.221 62.100 -0.310 0.000 1.159 79 T CB -0.444 68.143 68.868 -0.469 0.000 0.863 79 T HN 0.188 nan 8.240 nan 0.000 0.422 80 L N -0.228 120.803 121.223 -0.321 0.000 2.513 80 L HA 0.267 4.607 4.340 -0.000 0.000 0.222 80 L C 0.505 177.266 176.870 -0.182 0.000 1.096 80 L CA 0.036 54.739 54.840 -0.229 0.000 0.857 80 L CB -0.291 41.646 42.059 -0.203 0.000 1.026 80 L HN 0.210 nan 8.230 nan 0.000 0.469 81 K N 1.653 121.916 120.400 -0.228 0.000 3.419 81 K HA -0.164 4.156 4.320 -0.000 0.000 0.272 81 K C -0.392 176.110 176.600 -0.164 0.000 0.973 81 K CA 0.259 56.421 56.287 -0.208 0.000 0.749 81 K CB -1.582 30.821 32.500 -0.161 0.000 1.403 81 K HN 0.288 nan 8.250 nan 0.000 0.456 82 L N 0.802 121.923 121.223 -0.170 0.000 2.397 82 L HA 0.186 4.526 4.340 -0.000 0.000 0.271 82 L C 1.188 177.987 176.870 -0.118 0.000 1.148 82 L CA -0.374 54.400 54.840 -0.109 0.000 0.825 82 L CB 0.636 42.639 42.059 -0.093 0.000 1.117 82 L HN 0.283 nan 8.230 nan 0.000 0.456 83 R N 3.105 123.559 120.500 -0.077 0.000 2.522 83 R HA 0.101 4.441 4.340 -0.000 0.000 0.284 83 R C -0.700 175.524 176.300 -0.127 0.000 1.032 83 R CA 0.118 56.151 56.100 -0.111 0.000 1.049 83 R CB 0.260 30.545 30.300 -0.024 0.000 0.956 83 R HN 0.892 nan 8.270 nan 0.000 0.422 84 N N 1.987 120.504 118.700 -0.304 0.000 2.823 84 N HA 0.410 5.150 4.740 -0.000 0.000 0.251 84 N C -1.778 173.451 175.510 -0.468 0.000 1.392 84 N CA -0.829 52.129 53.050 -0.154 0.000 0.864 84 N CB 1.012 39.583 38.487 0.140 0.000 1.481 84 N HN 0.280 nan 8.380 nan 0.000 0.508 85 F N -1.056 119.082 119.950 0.313 0.000 2.581 85 F HA 0.504 5.031 4.527 -0.000 0.000 0.311 85 F C 0.314 176.187 175.800 0.121 0.000 1.113 85 F CA -0.846 57.287 58.000 0.222 0.000 0.935 85 F CB 2.177 41.230 39.000 0.089 0.000 1.232 85 F HN 0.444 nan 8.300 nan 0.000 0.445 86 R N 1.298 121.808 120.500 0.017 0.000 2.491 86 R HA 0.406 4.746 4.340 -0.000 0.000 0.283 86 R C -0.522 175.732 176.300 -0.076 0.000 1.072 86 R CA 0.023 55.808 56.100 -0.524 0.000 1.048 86 R CB 0.655 30.619 30.300 -0.560 0.000 0.983 86 R HN 0.719 nan 8.270 nan 0.000 0.450 87 S N 2.729 118.435 115.700 0.010 0.000 2.513 87 S HA 0.055 4.524 4.470 -0.000 0.000 0.276 87 S C -0.630 173.871 174.600 -0.166 0.000 1.254 87 S CA -0.471 57.769 58.200 0.068 0.000 1.053 87 S CB 1.123 64.458 63.200 0.224 0.000 0.958 87 S HN 0.530 nan 8.310 nan 0.000 0.491 88 D N 1.480 121.799 120.400 -0.135 0.000 2.381 88 D HA 0.312 4.952 4.640 -0.000 0.000 0.235 88 D C -0.664 175.565 176.300 -0.118 0.000 1.068 88 D CA -0.655 53.306 54.000 -0.064 0.000 0.832 88 D CB 0.431 41.292 40.800 0.102 0.000 1.101 88 D HN 0.402 nan 8.370 nan 0.000 0.515 89 F N 1.388 121.433 119.950 0.159 0.000 2.639 89 F HA 0.164 4.691 4.527 -0.000 0.000 0.302 89 F C 1.548 177.391 175.800 0.071 0.000 1.097 89 F CA -0.489 57.570 58.000 0.098 0.000 1.294 89 F CB 0.620 39.617 39.000 -0.005 0.000 1.027 89 F HN 0.251 nan 8.300 nan 0.000 0.550 90 D N -0.467 120.051 120.400 0.197 0.000 2.264 90 D HA -0.162 4.478 4.640 -0.000 0.000 0.208 90 D C 1.062 177.216 176.300 -0.243 0.000 0.966 90 D CA 1.422 55.385 54.000 -0.061 0.000 0.864 90 D CB -0.132 40.525 40.800 -0.239 0.000 0.933 90 D HN 0.349 nan 8.370 nan 0.000 0.499 91 Y N 0.065 120.415 120.300 0.082 0.000 2.524 91 Y HA 0.268 4.818 4.550 -0.000 0.000 0.266 91 Y C 1.909 177.853 175.900 0.074 0.000 1.180 91 Y CA -0.315 57.826 58.100 0.067 0.000 1.244 91 Y CB -0.148 38.354 38.460 0.069 0.000 1.125 91 Y HN -0.131 nan 8.280 nan 0.000 0.524 92 L N -0.177 121.143 121.223 0.162 0.000 2.089 92 L HA -0.331 4.009 4.340 -0.000 0.000 0.213 92 L C 2.561 179.467 176.870 0.059 0.000 1.079 92 L CA 1.440 56.336 54.840 0.093 0.000 0.758 92 L CB -0.527 41.472 42.059 -0.099 0.000 0.891 92 L HN 0.384 nan 8.230 nan 0.000 0.433 93 A N -0.826 122.004 122.820 0.016 0.000 2.084 93 A HA -0.250 4.070 4.320 -0.000 0.000 0.221 93 A C 2.042 179.654 177.584 0.047 0.000 1.161 93 A CA 1.566 53.606 52.037 0.006 0.000 0.653 93 A CB -0.373 18.613 19.000 -0.024 0.000 0.802 93 A HN 0.587 nan 8.150 nan 0.000 0.457 94 Q N -0.761 119.091 119.800 0.086 0.000 2.360 94 Q HA 0.113 4.453 4.340 -0.000 0.000 0.202 94 Q C -0.197 175.836 176.000 0.054 0.000 0.915 94 Q CA 0.063 55.912 55.803 0.077 0.000 0.943 94 Q CB 0.265 29.073 28.738 0.117 0.000 1.064 94 Q HN 0.581 nan 8.270 nan 0.000 0.511 95 N N 0.371 119.131 118.700 0.100 0.000 2.571 95 N HA 0.152 4.892 4.740 -0.000 0.000 0.298 95 N C -1.340 174.301 175.510 0.219 0.000 1.671 95 N CA 0.129 53.272 53.050 0.154 0.000 0.900 95 N CB 1.920 40.593 38.487 0.310 0.000 1.365 95 N HN -0.107 nan 8.380 nan 0.000 0.493 96 V N 1.938 121.909 119.914 0.094 0.000 2.357 96 V HA 0.347 4.467 4.120 -0.000 0.000 0.284 96 V C -0.500 175.710 176.094 0.193 0.000 1.018 96 V CA -0.626 61.799 62.300 0.208 0.000 0.841 96 V CB 0.407 32.302 31.823 0.120 0.000 0.991 96 V HN 0.144 nan 8.190 nan 0.000 0.437 97 Y N 3.336 123.796 120.300 0.266 0.000 2.299 97 Y HA 0.374 4.924 4.550 -0.000 0.000 0.326 97 Y C 1.020 177.049 175.900 0.215 0.000 1.164 97 Y CA -0.482 57.732 58.100 0.190 0.000 1.234 97 Y CB 0.881 39.433 38.460 0.153 0.000 1.219 97 Y HN 0.483 nan 8.280 nan 0.000 0.497 98 K N 1.764 122.214 120.400 0.084 0.000 2.258 98 K HA -0.014 4.306 4.320 -0.000 0.000 0.264 98 K C 1.012 177.660 176.600 0.080 0.000 1.007 98 K CA -0.293 55.954 56.287 -0.067 0.000 0.941 98 K CB 0.794 33.045 32.500 -0.414 0.000 0.966 98 K HN 0.797 nan 8.250 nan 0.000 0.480 99 E N 1.124 121.326 120.200 0.003 0.000 2.118 99 E HA -0.194 4.156 4.350 -0.000 0.000 0.195 99 E C -0.409 176.326 176.600 0.225 0.000 0.992 99 E CA 1.296 57.717 56.400 0.034 0.000 0.804 99 E CB 0.314 30.018 29.700 0.006 0.000 0.741 99 E HN 0.389 nan 8.360 nan 0.000 0.458 100 D N -0.362 120.095 120.400 0.096 0.000 2.420 100 D HA 0.284 4.924 4.640 -0.000 0.000 0.255 100 D C -0.738 175.570 176.300 0.014 0.000 1.185 100 D CA 0.439 54.482 54.000 0.072 0.000 0.904 100 D CB 1.015 41.840 40.800 0.042 0.000 1.102 100 D HN 0.305 nan 8.370 nan 0.000 0.534 101 G N 1.761 110.580 108.800 0.032 0.000 3.177 101 G HA2 0.317 4.277 3.960 -0.000 0.000 0.682 101 G HA3 0.317 4.277 3.960 -0.000 0.000 0.682 101 G C 0.522 175.392 174.900 -0.049 0.000 1.002 101 G CA 0.039 45.136 45.100 -0.003 0.000 0.910 101 G HN 1.023 nan 8.290 nan 0.000 0.538 102 G N -0.218 108.565 108.800 -0.028 0.000 2.888 102 G HA2 0.318 4.278 3.960 -0.000 0.000 0.441 102 G HA3 0.318 4.278 3.960 -0.000 0.000 0.441 102 G C 0.643 175.388 174.900 -0.259 0.000 1.461 102 G CA 0.493 45.526 45.100 -0.112 0.000 0.897 102 G HN 2.570 nan 8.290 nan 0.000 0.547 103 V N -1.500 118.185 119.914 -0.381 0.000 2.904 103 V HA 0.730 4.850 4.120 -0.000 0.000 0.305 103 V C 0.679 176.643 176.094 -0.216 0.000 1.067 103 V CA -1.197 60.868 62.300 -0.392 0.000 1.044 103 V CB 1.063 32.613 31.823 -0.455 0.000 1.050 103 V HN 0.883 nan 8.190 nan 0.000 0.475 104 Y N 0.724 120.956 120.300 -0.114 0.000 2.357 104 Y HA 0.279 4.829 4.550 -0.000 0.000 0.340 104 Y C 0.913 176.806 175.900 -0.011 0.000 1.260 104 Y CA 0.605 58.687 58.100 -0.030 0.000 1.425 104 Y CB 0.381 38.876 38.460 0.059 0.000 1.326 104 Y HN 0.955 nan 8.280 nan 0.000 0.580 105 D N 1.300 121.811 120.400 0.185 0.000 2.450 105 D HA -0.077 4.563 4.640 -0.000 0.000 0.247 105 D C 1.090 177.490 176.300 0.167 0.000 1.162 105 D CA 0.303 54.382 54.000 0.131 0.000 0.879 105 D CB 0.640 41.515 40.800 0.124 0.000 1.163 105 D HN 0.689 nan 8.370 nan 0.000 0.472 106 E N 2.764 123.022 120.200 0.095 0.000 2.110 106 E HA -0.246 4.104 4.350 -0.000 0.000 0.193 106 E C 0.657 177.292 176.600 0.058 0.000 0.988 106 E CA 1.239 57.681 56.400 0.070 0.000 0.804 106 E CB 0.156 29.884 29.700 0.046 0.000 0.745 106 E HN 0.620 nan 8.360 nan 0.000 0.458 107 D N -0.184 120.257 120.400 0.068 0.000 2.144 107 D HA -0.171 4.469 4.640 -0.000 0.000 0.200 107 D C 1.773 178.105 176.300 0.054 0.000 0.978 107 D CA 0.847 54.874 54.000 0.046 0.000 0.833 107 D CB -0.396 40.433 40.800 0.048 0.000 0.961 107 D HN 0.297 nan 8.370 nan 0.000 0.470 108 Y N 2.470 122.775 120.300 0.008 0.000 2.097 108 Y HA -0.250 4.300 4.550 -0.000 0.000 0.282 108 Y C 2.272 178.158 175.900 -0.023 0.000 1.152 108 Y CA 1.133 59.235 58.100 0.004 0.000 1.136 108 Y CB -0.513 37.968 38.460 0.035 0.000 0.975 108 Y HN -0.241 nan 8.280 nan 0.000 0.498 109 V N 0.481 120.347 119.914 -0.080 0.000 2.343 109 V HA -0.315 3.805 4.120 -0.000 0.000 0.247 109 V C 2.367 178.340 176.094 -0.201 0.000 1.051 109 V CA 2.175 64.352 62.300 -0.205 0.000 1.036 109 V CB -0.898 30.890 31.823 -0.058 0.000 0.654 109 V HN 0.367 nan 8.190 nan 0.000 0.451 110 Q N 0.636 120.364 119.800 -0.120 0.000 2.124 110 Q HA -0.216 4.123 4.340 -0.000 0.000 0.202 110 Q C 2.222 178.141 176.000 -0.134 0.000 0.977 110 Q CA 1.935 57.673 55.803 -0.108 0.000 0.850 110 Q CB -0.420 28.275 28.738 -0.071 0.000 0.901 110 Q HN 0.612 nan 8.270 nan 0.000 0.429 111 K N -0.811 119.490 120.400 -0.165 0.000 2.097 111 K HA -0.117 4.203 4.320 -0.000 0.000 0.205 111 K C 1.803 178.282 176.600 -0.202 0.000 1.050 111 K CA 0.775 56.965 56.287 -0.162 0.000 0.938 111 K CB 0.115 32.528 32.500 -0.146 0.000 0.718 111 K HN 0.052 nan 8.250 nan 0.000 0.442 112 R N 0.796 121.104 120.500 -0.319 0.000 2.081 112 R HA -0.081 4.259 4.340 -0.000 0.000 0.235 112 R C 2.250 178.451 176.300 -0.164 0.000 1.131 112 R CA 1.090 57.022 56.100 -0.281 0.000 0.960 112 R CB -0.850 29.222 30.300 -0.381 0.000 0.856 112 R HN 0.337 nan 8.270 nan 0.000 0.436 113 I N 0.977 121.455 120.570 -0.153 0.000 2.226 113 I HA -0.250 3.920 4.170 -0.000 0.000 0.245 113 I C 2.122 178.192 176.117 -0.080 0.000 1.100 113 I CA 1.364 62.603 61.300 -0.102 0.000 1.374 113 I CB -0.257 37.679 38.000 -0.106 0.000 1.057 113 I HN 0.234 nan 8.210 nan 0.000 0.413 114 E N 0.675 120.823 120.200 -0.088 0.000 2.077 114 E HA -0.203 4.147 4.350 -0.000 0.000 0.193 114 E C 2.323 178.889 176.600 -0.057 0.000 0.989 114 E CA 1.165 57.523 56.400 -0.069 0.000 0.800 114 E CB -0.079 29.580 29.700 -0.069 0.000 0.746 114 E HN 0.468 nan 8.360 nan 0.000 0.452 115 L N 0.455 121.639 121.223 -0.064 0.000 2.017 115 L HA -0.179 4.161 4.340 -0.000 0.000 0.208 115 L C 2.660 179.516 176.870 -0.024 0.000 1.073 115 L CA 1.032 55.844 54.840 -0.046 0.000 0.745 115 L CB -0.694 41.334 42.059 -0.051 0.000 0.894 115 L HN 0.148 nan 8.230 nan 0.000 0.432 116 A N 0.163 122.972 122.820 -0.020 0.000 1.908 116 A HA -0.246 4.073 4.320 -0.000 0.000 0.218 116 A C 1.938 179.536 177.584 0.024 0.000 1.181 116 A CA 2.169 54.219 52.037 0.023 0.000 0.627 116 A CB -0.557 18.457 19.000 0.024 0.000 0.818 116 A HN 0.365 nan 8.150 nan 0.000 0.445 117 D N -0.761 119.629 120.400 -0.016 0.000 2.117 117 D HA -0.101 4.539 4.640 -0.000 0.000 0.198 117 D C 2.309 178.601 176.300 -0.013 0.000 0.982 117 D CA 1.574 55.557 54.000 -0.028 0.000 0.828 117 D CB -0.370 40.401 40.800 -0.049 0.000 0.967 117 D HN 0.436 nan 8.370 nan 0.000 0.464 118 S N -0.160 115.529 115.700 -0.018 0.000 2.382 118 S HA -0.111 4.359 4.470 -0.000 0.000 0.228 118 S C 2.099 176.696 174.600 -0.005 0.000 1.027 118 S CA 0.890 59.079 58.200 -0.018 0.000 0.991 118 S CB -0.227 62.957 63.200 -0.028 0.000 0.823 118 S HN 0.038 nan 8.310 nan 0.000 0.469 119 V N 1.676 121.595 119.914 0.009 0.000 2.358 119 V HA -0.124 3.996 4.120 -0.000 0.000 0.246 119 V C 2.592 178.713 176.094 0.045 0.000 1.047 119 V CA 2.218 64.529 62.300 0.019 0.000 1.035 119 V CB -0.794 31.046 31.823 0.030 0.000 0.658 119 V HN 0.624 nan 8.190 nan 0.000 0.452 120 E N 0.186 120.437 120.200 0.086 0.000 2.085 120 E HA -0.271 4.079 4.350 -0.000 0.000 0.194 120 E C 2.159 178.795 176.600 0.059 0.000 0.994 120 E CA 1.674 58.150 56.400 0.128 0.000 0.801 120 E CB -0.073 29.719 29.700 0.154 0.000 0.743 120 E HN 0.715 nan 8.360 nan 0.000 0.453 121 E N 0.008 120.222 120.200 0.023 0.000 2.085 121 E HA -0.218 4.132 4.350 -0.000 0.000 0.194 121 E C 2.161 178.760 176.600 -0.003 0.000 0.994 121 E CA 1.421 57.822 56.400 0.002 0.000 0.801 121 E CB -0.119 29.574 29.700 -0.012 0.000 0.743 121 E HN 0.372 nan 8.360 nan 0.000 0.453 122 M N 0.116 119.714 119.600 -0.004 0.000 2.159 122 M HA -0.091 4.389 4.480 -0.000 0.000 0.263 122 M C 2.406 178.700 176.300 -0.009 0.000 1.063 122 M CA 1.447 56.740 55.300 -0.013 0.000 1.110 122 M CB -0.297 32.291 32.600 -0.020 0.000 1.374 122 M HN 0.223 nan 8.290 nan 0.000 0.411 123 G N -0.009 108.792 108.800 0.003 0.000 2.422 123 G HA2 -0.209 3.751 3.960 -0.000 0.000 0.218 123 G HA3 -0.209 3.751 3.960 -0.000 0.000 0.218 123 G C 1.295 176.188 174.900 -0.011 0.000 1.146 123 G CA 0.812 45.910 45.100 -0.004 0.000 0.769 123 G HN 0.493 nan 8.290 nan 0.000 0.547 124 E N 0.315 120.514 120.200 -0.000 0.000 2.077 124 E HA -0.097 4.253 4.350 -0.000 0.000 0.193 124 E C 2.522 179.107 176.600 -0.025 0.000 0.989 124 E CA 0.902 57.296 56.400 -0.010 0.000 0.800 124 E CB -0.074 29.625 29.700 -0.003 0.000 0.746 124 E HN 0.375 nan 8.360 nan 0.000 0.452 125 K N 0.454 120.840 120.400 -0.023 0.000 2.097 125 K HA -0.162 4.158 4.320 -0.000 0.000 0.206 125 K C 2.239 178.818 176.600 -0.034 0.000 1.049 125 K CA 0.832 57.102 56.287 -0.028 0.000 0.933 125 K CB -0.149 32.337 32.500 -0.024 0.000 0.717 125 K HN 0.053 nan 8.250 nan 0.000 0.442 126 L N 0.766 121.970 121.223 -0.032 0.000 2.056 126 L HA -0.115 4.225 4.340 -0.000 0.000 0.207 126 L C 2.332 179.173 176.870 -0.049 0.000 1.078 126 L CA 1.711 56.530 54.840 -0.035 0.000 0.749 126 L CB -0.773 41.269 42.059 -0.028 0.000 0.901 126 L HN 0.011 nan 8.230 nan 0.000 0.433 127 S N -0.485 115.184 115.700 -0.052 0.000 2.387 127 S HA -0.227 4.243 4.470 -0.000 0.000 0.230 127 S C 2.173 176.727 174.600 -0.077 0.000 1.035 127 S CA 1.325 59.483 58.200 -0.069 0.000 1.014 127 S CB -0.566 62.590 63.200 -0.072 0.000 0.836 127 S HN 0.694 nan 8.310 nan 0.000 0.466 128 A N 0.483 123.262 122.820 -0.068 0.000 1.978 128 A HA -0.092 4.228 4.320 -0.000 0.000 0.220 128 A C 2.339 179.869 177.584 -0.091 0.000 1.170 128 A CA 2.240 54.233 52.037 -0.073 0.000 0.636 128 A CB -1.314 17.650 19.000 -0.059 0.000 0.810 128 A HN 0.788 nan 8.150 nan 0.000 0.448 129 T N -2.234 112.265 114.554 -0.093 0.000 3.100 129 T HA 0.358 4.708 4.350 -0.000 0.000 0.253 129 T C 0.623 175.207 174.700 -0.194 0.000 1.118 129 T CA -0.198 61.826 62.100 -0.127 0.000 1.058 129 T CB -0.586 68.227 68.868 -0.091 0.000 0.953 129 T HN 0.253 nan 8.240 nan 0.000 0.515 130 L N 1.398 122.533 121.223 -0.147 0.000 2.472 130 L HA 0.377 4.717 4.340 -0.000 0.000 0.260 130 L C 0.460 177.196 176.870 -0.224 0.000 1.209 130 L CA -0.877 53.885 54.840 -0.130 0.000 0.817 130 L CB 0.107 42.136 42.059 -0.050 0.000 1.106 130 L HN 0.245 nan 8.230 nan 0.000 0.479 131 H N -0.146 118.915 119.070 -0.015 0.000 2.562 131 H HA 0.183 4.739 4.556 -0.000 0.000 0.352 131 H C 0.809 176.136 175.328 -0.002 0.000 1.125 131 H CA 0.244 56.287 56.048 -0.008 0.000 1.379 131 H CB 1.298 31.058 29.762 -0.005 0.000 1.464 131 H HN 0.704 nan 8.280 nan 0.000 0.563 132 A N 1.734 124.623 122.820 0.114 0.000 1.948 132 A HA -0.259 4.061 4.320 -0.000 0.000 0.220 132 A C 2.310 179.955 177.584 0.102 0.000 1.177 132 A CA 2.124 54.211 52.037 0.083 0.000 0.636 132 A CB -1.116 17.928 19.000 0.074 0.000 0.815 132 A HN 0.779 nan 8.150 nan 0.000 0.449 133 S N -1.719 114.046 115.700 0.108 0.000 2.469 133 S HA 0.220 4.690 4.470 -0.000 0.000 0.238 133 S C 1.680 176.337 174.600 0.095 0.000 0.998 133 S CA 1.392 59.641 58.200 0.082 0.000 0.957 133 S CB -0.718 62.505 63.200 0.039 0.000 0.764 133 S HN 2.061 nan 8.310 nan 0.000 0.514 134 G N 2.391 111.251 108.800 0.100 0.000 2.176 134 G HA2 -0.398 3.562 3.960 -0.000 0.000 0.253 134 G HA3 -0.398 3.562 3.960 -0.000 0.000 0.253 134 G C 0.895 175.838 174.900 0.072 0.000 0.979 134 G CA 0.478 45.631 45.100 0.088 0.000 0.641 134 G HN 0.795 nan 8.290 nan 0.000 0.530 135 R N 0.564 121.100 120.500 0.060 0.000 2.200 135 R HA -0.030 4.310 4.340 -0.000 0.000 0.234 135 R C 1.252 177.572 176.300 0.033 0.000 1.127 135 R CA 2.088 58.205 56.100 0.028 0.000 0.989 135 R CB -0.374 29.913 30.300 -0.022 0.000 0.869 135 R HN 0.418 nan 8.270 nan 0.000 0.459 136 D N -0.651 119.789 120.400 0.067 0.000 2.462 136 D HA 0.087 4.727 4.640 -0.000 0.000 0.221 136 D C -0.390 175.929 176.300 0.032 0.000 1.173 136 D CA -0.604 53.431 54.000 0.059 0.000 0.831 136 D CB -0.036 40.834 40.800 0.117 0.000 1.001 136 D HN 0.069 nan 8.370 nan 0.000 0.499 137 D N 1.199 121.613 120.400 0.023 0.000 2.362 137 D HA 0.311 4.951 4.640 -0.000 0.000 0.238 137 D C 0.375 176.666 176.300 -0.015 0.000 1.212 137 D CA 0.155 54.150 54.000 -0.009 0.000 0.902 137 D CB 0.585 41.380 40.800 -0.009 0.000 1.180 137 D HN 0.261 nan 8.370 nan 0.000 0.445 138 M N -1.171 118.405 119.600 -0.040 0.000 2.773 138 M HA 0.379 4.859 4.480 -0.000 0.000 0.270 138 M C -0.729 175.528 176.300 -0.071 0.000 1.238 138 M CA -0.993 54.282 55.300 -0.042 0.000 0.832 138 M CB 1.494 34.071 32.600 -0.037 0.000 1.672 138 M HN 0.273 nan 8.290 nan 0.000 0.480 139 S N 0.363 116.019 115.700 -0.073 0.000 2.600 139 S HA 0.385 4.855 4.470 -0.000 0.000 0.265 139 S C 0.929 175.446 174.600 -0.138 0.000 1.325 139 S CA -0.698 57.438 58.200 -0.105 0.000 1.002 139 S CB 0.552 63.698 63.200 -0.090 0.000 0.921 139 S HN 0.745 nan 8.310 nan 0.000 0.554 140 I N 0.634 121.082 120.570 -0.202 0.000 2.361 140 I HA -0.147 4.023 4.170 -0.000 0.000 0.251 140 I C 2.341 178.323 176.117 -0.226 0.000 1.133 140 I CA 0.950 62.092 61.300 -0.264 0.000 1.413 140 I CB -0.480 37.236 38.000 -0.474 0.000 1.073 140 I HN 0.621 nan 8.210 nan 0.000 0.424 141 L N 1.402 122.511 121.223 -0.190 0.000 2.042 141 L HA -0.169 4.171 4.340 -0.000 0.000 0.210 141 L C 2.576 179.397 176.870 -0.080 0.000 1.076 141 L CA 2.182 56.946 54.840 -0.127 0.000 0.749 141 L CB -0.825 41.180 42.059 -0.091 0.000 0.893 141 L HN 0.179 nan 8.230 nan 0.000 0.432 142 A N -0.575 122.202 122.820 -0.072 0.000 1.902 142 A HA -0.243 4.077 4.320 -0.000 0.000 0.217 142 A C 2.370 179.931 177.584 -0.038 0.000 1.181 142 A CA 2.086 54.097 52.037 -0.044 0.000 0.623 142 A CB -0.757 18.219 19.000 -0.040 0.000 0.818 142 A HN 0.591 nan 8.150 nan 0.000 0.443 143 M N -0.271 119.295 119.600 -0.057 0.000 2.117 143 M HA -0.195 4.285 4.480 -0.000 0.000 0.262 143 M C 2.056 178.337 176.300 -0.031 0.000 1.065 143 M CA 1.999 57.272 55.300 -0.044 0.000 1.114 143 M CB -0.818 31.743 32.600 -0.065 0.000 1.361 143 M HN 0.589 nan 8.290 nan 0.000 0.408 144 Q N -0.364 119.407 119.800 -0.049 0.000 2.084 144 Q HA -0.156 4.184 4.340 -0.000 0.000 0.202 144 Q C 2.129 178.129 176.000 -0.001 0.000 0.978 144 Q CA 1.530 57.319 55.803 -0.025 0.000 0.844 144 Q CB -0.204 28.513 28.738 -0.035 0.000 0.898 144 Q HN 0.556 nan 8.270 nan 0.000 0.426 145 R N 0.241 120.742 120.500 0.001 0.000 2.091 145 R HA -0.162 4.178 4.340 -0.000 0.000 0.238 145 R C 2.342 178.686 176.300 0.072 0.000 1.136 145 R CA 1.210 57.327 56.100 0.028 0.000 0.959 145 R CB -0.469 29.840 30.300 0.015 0.000 0.856 145 R HN 0.200 nan 8.270 nan 0.000 0.437 146 L N 1.530 122.789 121.223 0.061 0.000 2.056 146 L HA -0.112 4.228 4.340 -0.000 0.000 0.207 146 L C 1.393 178.339 176.870 0.128 0.000 1.078 146 L CA 1.828 56.737 54.840 0.114 0.000 0.749 146 L CB -0.461 41.632 42.059 0.056 0.000 0.901 146 L HN 0.079 nan 8.230 nan 0.000 0.433 147 N N -0.092 118.624 118.700 0.026 0.000 2.354 147 N HA -0.102 4.637 4.740 -0.000 0.000 0.179 147 N C 1.373 176.814 175.510 -0.116 0.000 1.021 147 N CA 1.160 54.178 53.050 -0.053 0.000 0.887 147 N CB -0.049 38.414 38.487 -0.040 0.000 0.974 147 N HN 0.585 nan 8.380 nan 0.000 0.437 148 E N -0.458 119.721 120.200 -0.035 0.000 2.474 148 E HA 0.098 4.448 4.350 -0.000 0.000 0.195 148 E C -0.709 175.917 176.600 0.044 0.000 1.039 148 E CA -0.130 56.246 56.400 -0.040 0.000 0.881 148 E CB 0.002 29.706 29.700 0.007 0.000 0.970 148 E HN 0.429 nan 8.360 nan 0.000 0.486 149 H N 0.550 119.618 119.070 -0.004 0.000 2.748 149 H HA -0.142 4.414 4.556 -0.000 0.000 0.322 149 H C -0.422 174.905 175.328 -0.002 0.000 1.208 149 H CA -0.148 55.899 56.048 -0.003 0.000 1.151 149 H CB -0.880 28.881 29.762 -0.002 0.000 1.505 149 H HN 0.127 nan 8.280 nan 0.000 0.429 150 Q N 0.021 119.885 119.800 0.107 0.000 2.501 150 Q HA 0.240 4.580 4.340 -0.000 0.000 0.288 150 Q C -2.019 174.000 176.000 0.033 0.000 1.051 150 Q CA -1.731 54.106 55.803 0.056 0.000 0.788 150 Q CB 1.872 30.637 28.738 0.045 0.000 1.469 150 Q HN 0.116 nan 8.270 nan 0.000 0.416 151 P HA 0.046 nan 4.420 nan 0.000 0.257 151 P C -0.733 176.572 177.300 0.009 0.000 1.281 151 P CA 0.463 63.568 63.100 0.009 0.000 0.826 151 P CB 0.354 32.057 31.700 0.005 0.000 1.237 152 N N -2.229 116.480 118.700 0.014 0.000 2.708 152 N HA 0.513 5.253 4.740 -0.000 0.000 0.257 152 N C -0.112 175.406 175.510 0.013 0.000 1.373 152 N CA -0.902 52.155 53.050 0.011 0.000 0.843 152 N CB 0.498 38.994 38.487 0.014 0.000 1.503 152 N HN -0.189 nan 8.380 nan 0.000 0.504 153 G N -0.954 107.851 108.800 0.009 0.000 2.543 153 G HA2 0.533 4.493 3.960 -0.000 0.000 0.267 153 G HA3 0.533 4.493 3.960 -0.000 0.000 0.267 153 G C -2.474 172.441 174.900 0.025 0.000 1.406 153 G CA -1.715 43.392 45.100 0.011 0.000 1.048 153 G HN 0.511 nan 8.290 nan 0.000 0.548 154 P HA 0.212 nan 4.420 nan 0.000 0.263 154 P C 0.038 177.363 177.300 0.042 0.000 1.175 154 P CA 1.043 64.170 63.100 0.044 0.000 0.761 154 P CB 1.230 32.972 31.700 0.069 0.000 0.794 155 A N 1.627 124.469 122.820 0.037 0.000 2.644 155 A HA 0.185 4.505 4.320 -0.000 0.000 0.193 155 A C 0.701 178.304 177.584 0.033 0.000 1.464 155 A CA 0.278 52.335 52.037 0.034 0.000 1.095 155 A CB -0.403 18.614 19.000 0.028 0.000 1.405 155 A HN 0.502 nan 8.150 nan 0.000 0.558 156 T N -2.391 112.184 114.554 0.035 0.000 2.874 156 T HA 0.453 4.803 4.350 -0.000 0.000 0.281 156 T C -1.844 172.873 174.700 0.027 0.000 0.994 156 T CA -1.260 60.863 62.100 0.038 0.000 1.015 156 T CB 1.107 70.007 68.868 0.053 0.000 1.028 156 T HN -0.118 nan 8.240 nan 0.000 0.523 157 P HA -0.082 nan 4.420 nan 0.000 0.215 157 P C 1.782 179.068 177.300 -0.023 0.000 1.153 157 P CA 0.365 63.471 63.100 0.010 0.000 0.853 157 P CB -0.107 31.611 31.700 0.030 0.000 0.788 158 V N 0.162 120.035 119.914 -0.068 0.000 2.307 158 V HA -0.218 3.902 4.120 -0.000 0.000 0.245 158 V C 1.716 177.755 176.094 -0.091 0.000 1.045 158 V CA 2.257 64.445 62.300 -0.186 0.000 1.024 158 V CB -1.050 30.534 31.823 -0.399 0.000 0.651 158 V HN 0.003 nan 8.190 nan 0.000 0.449 159 D N -0.392 119.983 120.400 -0.041 0.000 2.144 159 D HA -0.166 4.474 4.640 -0.000 0.000 0.199 159 D C 2.201 178.525 176.300 0.040 0.000 0.984 159 D CA 1.789 55.783 54.000 -0.009 0.000 0.834 159 D CB -0.259 40.546 40.800 0.008 0.000 0.955 159 D HN 0.444 nan 8.370 nan 0.000 0.465 160 M N 0.015 119.643 119.600 0.046 0.000 2.117 160 M HA -0.120 4.360 4.480 -0.000 0.000 0.262 160 M C 2.408 178.785 176.300 0.129 0.000 1.065 160 M CA 0.854 56.206 55.300 0.088 0.000 1.114 160 M CB -0.270 32.370 32.600 0.067 0.000 1.361 160 M HN -0.097 nan 8.290 nan 0.000 0.408 161 V N 0.003 119.964 119.914 0.078 0.000 2.548 161 V HA -0.152 3.968 4.120 -0.000 0.000 0.249 161 V C 2.161 178.356 176.094 0.168 0.000 1.055 161 V CA 1.251 63.615 62.300 0.107 0.000 1.065 161 V CB 0.039 31.887 31.823 0.043 0.000 0.681 161 V HN 0.246 nan 8.190 nan 0.000 0.462 162 V N 0.263 120.238 119.914 0.101 0.000 2.358 162 V HA -0.226 3.894 4.120 -0.000 0.000 0.246 162 V C 2.318 178.530 176.094 0.197 0.000 1.047 162 V CA 2.457 64.822 62.300 0.109 0.000 1.035 162 V CB -0.667 31.168 31.823 0.019 0.000 0.658 162 V HN 0.679 nan 8.190 nan 0.000 0.452 163 D N -1.061 119.458 120.400 0.198 0.000 2.117 163 D HA -0.252 4.388 4.640 -0.000 0.000 0.197 163 D C 2.006 178.498 176.300 0.319 0.000 0.987 163 D CA 1.559 55.729 54.000 0.283 0.000 0.829 163 D CB -0.220 40.730 40.800 0.250 0.000 0.961 163 D HN 0.531 nan 8.370 nan 0.000 0.460 164 Y N -0.635 119.764 120.300 0.165 0.000 2.181 164 Y HA -0.246 4.304 4.550 -0.000 0.000 0.288 164 Y C 2.092 178.059 175.900 0.110 0.000 1.146 164 Y CA 1.855 60.041 58.100 0.144 0.000 1.164 164 Y CB -0.510 38.009 38.460 0.099 0.000 0.982 164 Y HN 0.153 nan 8.280 nan 0.000 0.515 165 Y N 0.733 121.141 120.300 0.180 0.000 2.242 165 Y HA -0.138 4.412 4.550 -0.000 0.000 0.291 165 Y C 2.026 177.872 175.900 -0.092 0.000 1.137 165 Y CA 1.846 59.966 58.100 0.034 0.000 1.181 165 Y CB -0.351 38.092 38.460 -0.029 0.000 0.989 165 Y HN -0.040 nan 8.280 nan 0.000 0.527 166 K N -0.964 119.242 120.400 -0.322 0.000 2.155 166 K HA -0.038 4.281 4.320 -0.000 0.000 0.203 166 K C 1.191 177.259 176.600 -0.886 0.000 1.052 166 K CA 1.562 57.389 56.287 -0.767 0.000 0.948 166 K CB -0.098 31.939 32.500 -0.772 0.000 0.728 166 K HN 0.350 nan 8.250 nan 0.000 0.448 167 F N 0.037 119.889 119.950 -0.164 0.000 2.522 167 F HA 0.067 4.594 4.527 -0.000 0.000 0.275 167 F C 1.610 177.339 175.800 -0.117 0.000 0.890 167 F CA -0.175 57.789 58.000 -0.060 0.000 1.157 167 F CB -0.131 38.924 39.000 0.092 0.000 1.117 167 F HN -0.173 nan 8.300 nan 0.000 0.787 168 D N -0.175 120.212 120.400 -0.022 0.000 2.149 168 D HA -0.241 4.399 4.640 -0.000 0.000 0.198 168 D C 1.697 177.874 176.300 -0.204 0.000 0.990 168 D CA 1.319 55.163 54.000 -0.260 0.000 0.839 168 D CB -0.495 39.740 40.800 -0.942 0.000 0.948 168 D HN 0.237 nan 8.370 nan 0.000 0.460 169 Y N 0.888 120.950 120.300 -0.396 0.000 2.497 169 Y HA -0.061 4.489 4.550 -0.000 0.000 0.292 169 Y C 1.964 177.784 175.900 -0.132 0.000 1.137 169 Y CA 0.975 58.971 58.100 -0.174 0.000 1.285 169 Y CB 0.076 38.398 38.460 -0.231 0.000 0.991 169 Y HN -0.114 nan 8.280 nan 0.000 0.556 170 E N -0.917 119.072 120.200 -0.352 0.000 2.079 170 E HA 0.016 4.366 4.350 -0.000 0.000 0.191 170 E C 1.399 177.712 176.600 -0.478 0.000 0.961 170 E CA 1.265 57.282 56.400 -0.639 0.000 0.823 170 E CB -0.572 28.496 29.700 -1.053 0.000 0.789 170 E HN 0.368 nan 8.360 nan 0.000 0.459 171 F N -0.255 119.761 119.950 0.110 0.000 2.746 171 F HA 0.406 4.933 4.527 -0.000 0.000 0.297 171 F C 1.303 177.264 175.800 0.269 0.000 1.113 171 F CA 0.236 58.358 58.000 0.204 0.000 1.367 171 F CB 0.502 39.582 39.000 0.133 0.000 1.111 171 F HN 0.131 nan 8.300 nan 0.000 0.590 172 A N 0.363 123.376 122.820 0.322 0.000 2.899 172 A HA -0.237 4.083 4.320 -0.000 0.000 0.257 172 A C 0.212 177.830 177.584 0.057 0.000 1.335 172 A CA 1.248 53.387 52.037 0.171 0.000 0.924 172 A CB -2.184 16.843 19.000 0.045 0.000 1.105 172 A HN 0.492 nan 8.150 nan 0.000 0.765 173 E N -1.491 118.762 120.200 0.087 0.000 2.433 173 E HA 0.530 4.880 4.350 -0.000 0.000 0.278 173 E C -3.103 173.518 176.600 0.036 0.000 0.976 173 E CA -2.379 54.036 56.400 0.026 0.000 0.793 173 E CB 1.853 31.552 29.700 -0.001 0.000 1.311 173 E HN 0.160 nan 8.360 nan 0.000 0.460 174 P HA 0.113 nan 4.420 nan 0.000 0.274 174 P C -2.181 175.101 177.300 -0.030 0.000 1.237 174 P CA -1.199 61.909 63.100 0.013 0.000 0.793 174 P CB 0.250 31.960 31.700 0.017 0.000 0.977 175 P HA -0.159 nan 4.420 nan 0.000 0.218 175 P C 1.241 178.440 177.300 -0.169 0.000 1.148 175 P CA 1.610 64.576 63.100 -0.224 0.000 0.822 175 P CB -0.174 31.303 31.700 -0.372 0.000 0.784 176 R N -0.959 119.479 120.500 -0.104 0.000 2.237 176 R HA -0.002 4.337 4.340 -0.000 0.000 0.219 176 R C 1.206 177.462 176.300 -0.074 0.000 1.080 176 R CA 1.116 57.166 56.100 -0.083 0.000 0.995 176 R CB -1.122 29.148 30.300 -0.050 0.000 0.875 176 R HN 0.092 nan 8.270 nan 0.000 0.462 177 V N 0.657 120.527 119.914 -0.074 0.000 3.471 177 V HA 0.028 4.148 4.120 -0.000 0.000 0.258 177 V C 0.528 176.567 176.094 -0.092 0.000 1.192 177 V CA 0.700 62.959 62.300 -0.068 0.000 1.116 177 V CB 0.546 32.333 31.823 -0.060 0.000 0.792 177 V HN 0.263 nan 8.190 nan 0.000 0.459 178 T N 1.273 115.750 114.554 -0.128 0.000 2.869 178 T HA 0.186 4.536 4.350 -0.000 0.000 0.295 178 T C 0.370 174.959 174.700 -0.186 0.000 0.987 178 T CA 0.279 62.271 62.100 -0.180 0.000 1.109 178 T CB 1.248 69.962 68.868 -0.256 0.000 0.932 178 T HN 0.312 nan 8.240 nan 0.000 0.518 179 S N 2.455 118.051 115.700 -0.172 0.000 2.516 179 S HA 0.049 4.519 4.470 -0.000 0.000 0.282 179 S C 1.248 175.684 174.600 -0.273 0.000 1.286 179 S CA -0.795 57.289 58.200 -0.193 0.000 1.066 179 S CB -0.033 63.005 63.200 -0.271 0.000 0.884 179 S HN 0.625 nan 8.310 nan 0.000 0.491 180 L N 5.625 126.722 121.223 -0.210 0.000 2.027 180 L HA -0.004 4.336 4.340 -0.000 0.000 0.206 180 L C 2.549 179.284 176.870 -0.225 0.000 1.074 180 L CA 2.059 56.779 54.840 -0.199 0.000 0.745 180 L CB -0.935 41.041 42.059 -0.140 0.000 0.898 180 L HN 0.943 nan 8.230 nan 0.000 0.433 181 Q N -0.493 119.168 119.800 -0.232 0.000 2.135 181 Q HA -0.206 4.134 4.340 -0.000 0.000 0.204 181 Q C 0.922 176.694 176.000 -0.379 0.000 0.981 181 Q CA 1.831 57.486 55.803 -0.245 0.000 0.856 181 Q CB -0.021 28.594 28.738 -0.205 0.000 0.902 181 Q HN 0.613 nan 8.270 nan 0.000 0.425 182 N N -0.713 117.620 118.700 -0.612 0.000 2.276 182 N HA 0.016 4.756 4.740 -0.000 0.000 0.212 182 N C 0.286 175.444 175.510 -0.587 0.000 1.127 182 N CA 0.975 53.482 53.050 -0.904 0.000 0.834 182 N CB 1.225 38.395 38.487 -2.194 0.000 1.014 182 N HN 0.377 nan 8.380 nan 0.000 0.491 183 T N -4.656 109.675 114.554 -0.373 0.000 3.073 183 T HA 0.186 4.536 4.350 -0.000 0.000 0.264 183 T C 0.154 174.836 174.700 -0.029 0.000 0.893 183 T CA -0.026 61.930 62.100 -0.240 0.000 0.863 183 T CB 0.497 69.015 68.868 -0.582 0.000 1.247 183 T HN -0.199 nan 8.240 nan 0.000 0.546 184 V N 4.722 124.595 119.914 -0.068 0.000 2.409 184 V HA 0.545 4.665 4.120 -0.000 0.000 0.290 184 V C -2.519 173.565 176.094 -0.017 0.000 1.017 184 V CA -2.117 60.198 62.300 0.026 0.000 0.841 184 V CB 2.117 33.966 31.823 0.043 0.000 1.003 184 V HN 0.225 nan 8.190 nan 0.000 0.426 185 P HA 0.267 nan 4.420 nan 0.000 0.274 185 P C -0.872 176.466 177.300 0.063 0.000 1.256 185 P CA -0.517 62.613 63.100 0.050 0.000 0.795 185 P CB 1.484 33.199 31.700 0.024 0.000 1.038 186 L N 0.886 122.199 121.223 0.151 0.000 2.282 186 L HA 0.468 4.808 4.340 -0.000 0.000 0.288 186 L C 1.541 178.453 176.870 0.071 0.000 1.033 186 L CA -0.383 54.555 54.840 0.163 0.000 0.807 186 L CB 0.674 42.943 42.059 0.349 0.000 1.209 186 L HN 0.531 nan 8.230 nan 0.000 0.423 187 A N 3.178 126.002 122.820 0.007 0.000 1.917 187 A HA -0.202 4.118 4.320 -0.000 0.000 0.219 187 A C 1.950 179.508 177.584 -0.042 0.000 1.182 187 A CA 2.530 54.532 52.037 -0.057 0.000 0.633 187 A CB -0.983 17.916 19.000 -0.168 0.000 0.819 187 A HN 0.878 nan 8.150 nan 0.000 0.448 188 T N -0.536 114.009 114.554 -0.016 0.000 2.624 188 T HA -0.202 4.148 4.350 -0.000 0.000 0.268 188 T C 1.503 175.930 174.700 -0.455 0.000 1.041 188 T CA 2.077 64.005 62.100 -0.286 0.000 1.159 188 T CB -0.489 67.938 68.868 -0.735 0.000 0.863 188 T HN 0.527 nan 8.240 nan 0.000 0.434 189 F N 0.949 120.854 119.950 -0.076 0.000 2.270 189 F HA 0.045 4.572 4.527 -0.000 0.000 0.295 189 F C 2.904 178.653 175.800 -0.086 0.000 1.087 189 F CA 0.380 58.332 58.000 -0.079 0.000 1.365 189 F CB -0.459 38.494 39.000 -0.079 0.000 1.056 189 F HN 0.029 nan 8.300 nan 0.000 0.506 190 S N 0.060 115.791 115.700 0.053 0.000 2.368 190 S HA -0.181 4.289 4.470 -0.000 0.000 0.225 190 S C 1.441 175.985 174.600 -0.092 0.000 1.030 190 S CA 1.687 59.879 58.200 -0.015 0.000 0.999 190 S CB -0.303 62.868 63.200 -0.047 0.000 0.844 190 S HN 0.341 nan 8.310 nan 0.000 0.459 191 D N 0.280 120.542 120.400 -0.229 0.000 2.149 191 D HA 0.101 4.741 4.640 -0.000 0.000 0.206 191 D C 1.322 177.456 176.300 -0.275 0.000 0.967 191 D CA 0.845 54.625 54.000 -0.367 0.000 0.848 191 D CB -0.268 40.082 40.800 -0.750 0.000 0.998 191 D HN 0.458 nan 8.370 nan 0.000 0.474 192 F N 0.259 120.150 119.950 -0.098 0.000 2.749 192 F HA 0.360 4.887 4.527 -0.000 0.000 0.300 192 F C 1.291 177.036 175.800 -0.092 0.000 1.103 192 F CA 0.058 57.969 58.000 -0.148 0.000 1.342 192 F CB 0.825 39.632 39.000 -0.322 0.000 1.098 192 F HN -0.043 nan 8.300 nan 0.000 0.586 193 G N 0.702 109.573 108.800 0.118 0.000 2.587 193 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 -0.522 174.501 174.900 0.206 0.000 1.236 193 G CA -0.677 44.492 45.100 0.116 0.000 0.820 193 G HN 0.031 nan 8.290 nan 0.000 0.645 194 D N 0.070 120.548 120.400 0.130 0.000 2.317 194 D HA 0.056 4.696 4.640 -0.000 0.000 0.211 194 D C 0.748 177.076 176.300 0.046 0.000 0.966 194 D CA 0.816 54.856 54.000 0.067 0.000 0.876 194 D CB 0.118 40.887 40.800 -0.052 0.000 0.927 194 D HN 0.460 nan 8.370 nan 0.000 0.519 195 D N 0.347 120.799 120.400 0.087 0.000 2.358 195 D HA 0.223 4.863 4.640 -0.000 0.000 0.244 195 D C 0.504 176.888 176.300 0.140 0.000 1.163 195 D CA -0.206 53.833 54.000 0.066 0.000 0.945 195 D CB 2.015 42.856 40.800 0.069 0.000 1.152 195 D HN -0.108 nan 8.370 nan 0.000 0.451 196 V N -1.295 118.680 119.914 0.101 0.000 2.841 196 V HA 0.587 4.707 4.120 -0.000 0.000 0.310 196 V C -1.675 174.554 176.094 0.224 0.000 1.090 196 V CA -0.857 61.602 62.300 0.264 0.000 0.930 196 V CB 1.578 33.527 31.823 0.209 0.000 1.014 196 V HN 0.367 nan 8.190 nan 0.000 0.425 197 Y N 3.277 123.773 120.300 0.327 0.000 2.350 197 Y HA 0.611 5.161 4.550 -0.000 0.000 0.338 197 Y C -0.461 175.649 175.900 0.349 0.000 0.961 197 Y CA -0.943 57.339 58.100 0.304 0.000 1.100 197 Y CB 2.115 40.612 38.460 0.062 0.000 1.179 197 Y HN 0.834 nan 8.280 nan 0.000 0.454 198 F N 4.294 124.378 119.950 0.224 0.000 2.421 198 F HA 0.498 5.025 4.527 -0.000 0.000 0.358 198 F C -0.397 175.395 175.800 -0.013 0.000 1.115 198 F CA -0.691 57.203 58.000 -0.177 0.000 1.160 198 F CB 0.431 39.335 39.000 -0.159 0.000 1.123 198 F HN 0.175 nan 8.300 nan 0.000 0.508 199 V N 6.410 126.125 119.914 -0.332 0.000 2.455 199 V HA 0.475 4.595 4.120 -0.000 0.000 0.273 199 V C 0.266 176.331 176.094 -0.049 0.000 1.045 199 V CA -0.204 61.975 62.300 -0.201 0.000 0.976 199 V CB 0.642 32.164 31.823 -0.502 0.000 0.993 199 V HN 0.887 nan 8.190 nan 0.000 0.475 200 A N 4.230 127.176 122.820 0.210 0.000 3.082 200 A HA 0.549 4.869 4.320 -0.000 0.000 0.328 200 A C -0.591 177.135 177.584 0.237 0.000 1.089 200 A CA -0.445 51.788 52.037 0.326 0.000 0.802 200 A CB 0.223 19.450 19.000 0.378 0.000 1.138 200 A HN 0.726 nan 8.150 nan 0.000 0.474 201 D N 1.313 121.804 120.400 0.151 0.000 2.780 201 D HA 0.162 4.802 4.640 -0.000 0.000 0.242 201 D C 1.060 177.410 176.300 0.083 0.000 1.135 201 D CA -0.279 53.779 54.000 0.097 0.000 0.859 201 D CB 1.744 42.566 40.800 0.036 0.000 1.530 201 D HN 0.532 nan 8.370 nan 0.000 0.493 202 Q N 2.600 122.440 119.800 0.065 0.000 2.291 202 Q HA -0.109 4.231 4.340 -0.000 0.000 0.206 202 Q C 0.972 176.975 176.000 0.004 0.000 0.976 202 Q CA 1.007 56.828 55.803 0.030 0.000 0.875 202 Q CB 0.046 28.794 28.738 0.017 0.000 0.927 202 Q HN 0.353 nan 8.270 nan 0.000 0.450 203 R N 0.759 121.263 120.500 0.007 0.000 2.235 203 R HA 0.110 4.450 4.340 -0.000 0.000 0.213 203 R C 0.570 176.880 176.300 0.015 0.000 1.059 203 R CA 0.539 56.634 56.100 -0.010 0.000 0.997 203 R CB -0.049 30.246 30.300 -0.008 0.000 0.884 203 R HN 0.431 nan 8.270 nan 0.000 0.462 204 G N -0.283 108.545 108.800 0.047 0.000 2.705 204 G HA2 -0.317 3.643 3.960 -0.000 0.000 0.686 204 G HA3 -0.317 3.643 3.960 -0.000 0.000 0.686 204 G C -0.092 174.919 174.900 0.184 0.000 1.285 204 G CA -0.284 44.873 45.100 0.094 0.000 0.800 204 G HN 0.337 nan 8.290 nan 0.000 0.611 205 Y N 0.617 120.948 120.300 0.052 0.000 2.333 205 Y HA -0.170 4.380 4.550 -0.000 0.000 0.290 205 Y C 2.810 178.778 175.900 0.114 0.000 1.144 205 Y CA 1.815 59.953 58.100 0.064 0.000 1.228 205 Y CB 0.173 38.663 38.460 0.051 0.000 0.985 205 Y HN 0.824 nan 8.280 nan 0.000 0.542 206 E N 0.182 120.560 120.200 0.295 0.000 2.331 206 E HA -0.223 4.127 4.350 -0.000 0.000 0.199 206 E C 2.000 178.826 176.600 0.377 0.000 1.008 206 E CA 0.798 57.367 56.400 0.282 0.000 0.843 206 E CB -0.353 29.565 29.700 0.364 0.000 0.761 206 E HN 0.477 nan 8.360 nan 0.000 0.507 207 A N 1.600 124.611 122.820 0.320 0.000 2.024 207 A HA -0.122 4.198 4.320 -0.000 0.000 0.220 207 A C 2.455 180.222 177.584 0.306 0.000 1.164 207 A CA 1.380 53.595 52.037 0.298 0.000 0.643 207 A CB -0.680 18.410 19.000 0.150 0.000 0.806 207 A HN 0.213 nan 8.150 nan 0.000 0.451 208 V N -0.492 119.574 119.914 0.254 0.000 2.343 208 V HA -0.246 3.874 4.120 -0.000 0.000 0.247 208 V C 2.569 178.811 176.094 0.247 0.000 1.051 208 V CA 2.088 64.517 62.300 0.215 0.000 1.036 208 V CB -0.720 31.209 31.823 0.176 0.000 0.654 208 V HN 0.406 nan 8.190 nan 0.000 0.451 209 V N -1.326 118.700 119.914 0.186 0.000 2.358 209 V HA -0.270 3.850 4.120 -0.000 0.000 0.246 209 V C 2.159 178.292 176.094 0.065 0.000 1.047 209 V CA 2.012 64.373 62.300 0.100 0.000 1.035 209 V CB -0.815 31.010 31.823 0.004 0.000 0.658 209 V HN 0.513 nan 8.190 nan 0.000 0.452 210 Y N -0.899 119.480 120.300 0.133 0.000 2.165 210 Y HA -0.299 4.251 4.550 -0.000 0.000 0.286 210 Y C 2.475 178.442 175.900 0.113 0.000 1.155 210 Y CA 2.451 60.610 58.100 0.099 0.000 1.164 210 Y CB -0.640 37.880 38.460 0.099 0.000 0.978 210 Y HN 0.347 nan 8.280 nan 0.000 0.513 211 Y N 0.165 120.578 120.300 0.189 0.000 2.181 211 Y HA -0.240 4.310 4.550 -0.000 0.000 0.288 211 Y C 1.939 177.899 175.900 0.099 0.000 1.146 211 Y CA 1.442 59.611 58.100 0.116 0.000 1.164 211 Y CB -0.603 37.910 38.460 0.087 0.000 0.982 211 Y HN 0.035 nan 8.280 nan 0.000 0.515 212 L N -0.081 121.193 121.223 0.086 0.000 2.046 212 L HA -0.203 4.137 4.340 -0.000 0.000 0.208 212 L C 2.832 179.711 176.870 0.015 0.000 1.077 212 L CA 1.175 56.025 54.840 0.016 0.000 0.747 212 L CB -1.025 41.160 42.059 0.210 0.000 0.896 212 L HN 0.364 nan 8.230 nan 0.000 0.432 213 A N 0.327 123.131 122.820 -0.027 0.000 1.933 213 A HA -0.125 4.195 4.320 -0.000 0.000 0.218 213 A C 2.338 179.688 177.584 -0.389 0.000 1.175 213 A CA 1.647 53.543 52.037 -0.235 0.000 0.628 213 A CB -1.176 17.689 19.000 -0.224 0.000 0.814 213 A HN 0.450 nan 8.150 nan 0.000 0.444 214 G N -1.444 107.236 108.800 -0.200 0.000 2.559 214 G HA2 -0.098 3.862 3.960 -0.000 0.000 0.216 214 G HA3 -0.098 3.862 3.960 -0.000 0.000 0.216 214 G C 1.303 176.097 174.900 -0.177 0.000 1.126 214 G CA 0.566 45.566 45.100 -0.167 0.000 0.778 214 G HN 0.452 nan 8.290 nan 0.000 0.543 215 Q N -0.549 119.144 119.800 -0.179 0.000 2.488 215 Q HA 0.006 4.346 4.340 -0.000 0.000 0.211 215 Q C 1.197 177.242 176.000 0.074 0.000 0.967 215 Q CA 0.761 56.513 55.803 -0.084 0.000 0.926 215 Q CB -0.032 28.660 28.738 -0.077 0.000 0.992 215 Q HN 0.980 nan 8.270 nan 0.000 0.506 216 Y N -4.763 115.490 120.300 -0.079 0.000 2.772 216 Y HA 0.360 4.910 4.550 -0.000 0.000 0.287 216 Y C -0.084 175.789 175.900 -0.044 0.000 0.985 216 Y CA -0.721 57.346 58.100 -0.056 0.000 1.207 216 Y CB 0.338 38.765 38.460 -0.055 0.000 1.425 216 Y HN -0.162 nan 8.280 nan 0.000 0.587 217 L N 2.937 123.829 121.223 -0.553 0.000 2.334 217 L HA 0.462 4.802 4.340 -0.000 0.000 0.275 217 L C -0.121 176.637 176.870 -0.188 0.000 1.036 217 L CA -1.247 53.355 54.840 -0.397 0.000 0.807 217 L CB 1.593 43.327 42.059 -0.542 0.000 1.231 217 L HN 0.090 nan 8.230 nan 0.000 0.438 218 K N 1.036 121.372 120.400 -0.107 0.000 2.326 218 K HA 0.432 4.752 4.320 -0.000 0.000 0.275 218 K C -0.343 176.224 176.600 -0.054 0.000 1.018 218 K CA -0.167 56.082 56.287 -0.063 0.000 0.962 218 K CB 0.506 32.985 32.500 -0.035 0.000 0.953 218 K HN 0.750 nan 8.250 nan 0.000 0.475 219 T N -1.381 113.152 114.554 -0.036 0.000 2.893 219 T HA 0.114 4.464 4.350 -0.000 0.000 0.293 219 T C -0.574 174.121 174.700 -0.008 0.000 1.027 219 T CA -1.163 60.926 62.100 -0.018 0.000 0.988 219 T CB 1.641 70.503 68.868 -0.011 0.000 1.043 219 T HN 0.476 nan 8.240 nan 0.000 0.461 220 D N 1.314 121.713 120.400 -0.002 0.000 2.493 220 D HA 0.023 4.663 4.640 -0.000 0.000 0.240 220 D C 0.635 176.935 176.300 0.000 0.000 1.142 220 D CA -0.004 53.996 54.000 -0.000 0.000 0.872 220 D CB 0.776 41.578 40.800 0.003 0.000 1.173 220 D HN 0.489 nan 8.370 nan 0.000 0.467 221 D N 3.246 123.646 120.400 -0.000 0.000 2.218 221 D HA -0.106 4.534 4.640 -0.000 0.000 0.204 221 D C 1.430 177.730 176.300 0.001 0.000 0.976 221 D CA 1.017 55.018 54.000 0.001 0.000 0.853 221 D CB 0.411 41.212 40.800 0.001 0.000 0.939 221 D HN 0.514 nan 8.370 nan 0.000 0.481 222 K N 0.281 120.681 120.400 0.000 0.000 2.019 222 K HA -0.027 4.293 4.320 -0.000 0.000 0.209 222 K C 2.356 178.956 176.600 -0.001 0.000 1.032 222 K CA 1.016 57.302 56.287 -0.000 0.000 0.947 222 K CB -0.256 32.243 32.500 -0.000 0.000 0.757 222 K HN 0.019 nan 8.250 nan 0.000 0.444 223 S N -0.067 115.632 115.700 -0.001 0.000 2.359 223 S HA -0.104 4.366 4.470 -0.000 0.000 0.224 223 S C 1.774 176.372 174.600 -0.003 0.000 1.035 223 S CA 1.410 59.608 58.200 -0.002 0.000 1.018 223 S CB -0.676 62.524 63.200 0.001 0.000 0.876 223 S HN 0.600 nan 8.310 nan 0.000 0.448 224 G N 0.947 109.748 108.800 0.002 0.000 2.175 224 G HA2 -0.241 3.719 3.960 -0.000 0.000 0.244 224 G HA3 -0.241 3.719 3.960 -0.000 0.000 0.244 224 G C 0.020 174.930 174.900 0.016 0.000 0.982 224 G CA 0.220 45.324 45.100 0.006 0.000 0.641 224 G HN 0.652 nan 8.290 nan 0.000 0.527 225 K N 0.172 120.582 120.400 0.017 0.000 2.319 225 K HA 0.475 4.795 4.320 -0.000 0.000 0.265 225 K C 0.814 177.434 176.600 0.035 0.000 1.000 225 K CA -0.359 55.950 56.287 0.037 0.000 0.943 225 K CB 0.932 33.451 32.500 0.032 0.000 0.950 225 K HN 0.284 nan 8.250 nan 0.000 0.485 226 I N 2.193 122.795 120.570 0.053 0.000 2.588 226 I HA -0.088 4.082 4.170 -0.000 0.000 0.283 226 I C 1.061 177.179 176.117 0.002 0.000 1.119 226 I CA 0.094 61.400 61.300 0.011 0.000 1.419 226 I CB 0.727 38.725 38.000 -0.004 0.000 1.394 226 I HN 0.451 nan 8.210 nan 0.000 0.562 227 V N 0.326 120.230 119.914 -0.015 0.000 3.337 227 V HA 0.220 4.339 4.120 -0.000 0.000 0.307 227 V C 0.339 176.422 176.094 -0.019 0.000 1.505 227 V CA -0.451 61.843 62.300 -0.010 0.000 1.072 227 V CB 0.150 31.971 31.823 -0.005 0.000 0.929 227 V HN 0.698 nan 8.190 nan 0.000 0.455 228 D N 4.074 124.453 120.400 -0.035 0.000 2.434 228 D HA 0.147 4.787 4.640 -0.000 0.000 0.252 228 D C -1.080 175.201 176.300 -0.031 0.000 1.185 228 D CA -1.161 52.816 54.000 -0.038 0.000 0.886 228 D CB 2.135 42.896 40.800 -0.065 0.000 1.148 228 D HN 0.232 nan 8.370 nan 0.000 0.483 229 P HA -0.086 nan 4.420 nan 0.000 0.228 229 P C 0.924 178.210 177.300 -0.023 0.000 1.151 229 P CA 0.535 63.627 63.100 -0.014 0.000 0.770 229 P CB 0.288 31.987 31.700 -0.002 0.000 0.786 230 R N -0.952 119.532 120.500 -0.027 0.000 2.235 230 R HA 0.036 4.376 4.340 -0.000 0.000 0.213 230 R C 0.714 176.981 176.300 -0.054 0.000 1.059 230 R CA 0.167 56.247 56.100 -0.032 0.000 0.997 230 R CB -0.329 29.966 30.300 -0.009 0.000 0.884 230 R HN 0.179 nan 8.270 nan 0.000 0.462 231 L N 1.411 122.598 121.223 -0.060 0.000 2.287 231 L HA 0.239 4.579 4.340 -0.000 0.000 0.287 231 L C -1.152 175.676 176.870 -0.070 0.000 1.022 231 L CA -0.214 54.582 54.840 -0.073 0.000 0.814 231 L CB 1.608 43.620 42.059 -0.078 0.000 1.217 231 L HN -0.122 nan 8.230 nan 0.000 0.420 232 Q N 6.021 125.766 119.800 -0.092 0.000 2.327 232 Q HA 0.477 4.817 4.340 -0.000 0.000 0.270 232 Q C -0.968 174.979 176.000 -0.088 0.000 1.022 232 Q CA -0.373 55.384 55.803 -0.077 0.000 0.773 232 Q CB 2.317 31.000 28.738 -0.092 0.000 1.251 232 Q HN 0.697 nan 8.270 nan 0.000 0.457 233 L N 1.657 122.841 121.223 -0.065 0.000 2.431 233 L HA 0.385 4.725 4.340 -0.000 0.000 0.260 233 L C 0.768 177.594 176.870 -0.074 0.000 1.098 233 L CA -0.642 54.150 54.840 -0.081 0.000 0.800 233 L CB 0.437 42.466 42.059 -0.049 0.000 1.210 233 L HN 0.654 nan 8.230 nan 0.000 0.465 234 N N 0.222 118.860 118.700 -0.104 0.000 2.747 234 N HA -0.151 4.589 4.740 -0.000 0.000 0.249 234 N C -0.840 174.621 175.510 -0.081 0.000 1.107 234 N CA 0.802 53.801 53.050 -0.085 0.000 0.707 234 N CB -0.813 37.658 38.487 -0.027 0.000 1.054 234 N HN 0.455 nan 8.380 nan 0.000 0.555 235 K N 0.964 121.289 120.400 -0.124 0.000 2.464 235 K HA 0.380 4.700 4.320 -0.000 0.000 0.252 235 K C -0.302 176.214 176.600 -0.140 0.000 1.000 235 K CA -0.454 55.781 56.287 -0.088 0.000 0.951 235 K CB 1.608 34.054 32.500 -0.090 0.000 1.183 235 K HN -0.105 nan 8.250 nan 0.000 0.445 236 V N 4.140 123.992 119.914 -0.104 0.000 2.353 236 V HA 0.120 4.240 4.120 -0.000 0.000 0.264 236 V C 0.549 176.614 176.094 -0.049 0.000 1.049 236 V CA -0.860 61.370 62.300 -0.117 0.000 0.896 236 V CB 1.156 32.976 31.823 -0.005 0.000 1.025 236 V HN 0.319 nan 8.190 nan 0.000 0.475 237 V N 7.706 127.575 119.914 -0.075 0.000 2.585 237 V HA 0.208 4.328 4.120 -0.000 0.000 0.296 237 V C 1.216 177.284 176.094 -0.043 0.000 1.035 237 V CA 0.094 62.363 62.300 -0.052 0.000 1.084 237 V CB 0.941 32.715 31.823 -0.082 0.000 0.953 237 V HN 0.827 nan 8.190 nan 0.000 0.483 238 R N 2.545 123.020 120.500 -0.041 0.000 2.453 238 R HA 0.344 4.684 4.340 -0.000 0.000 0.233 238 R C 0.316 176.564 176.300 -0.086 0.000 0.895 238 R CA 0.003 56.076 56.100 -0.044 0.000 1.028 238 R CB 0.849 31.140 30.300 -0.015 0.000 1.255 238 R HN 0.803 nan 8.270 nan 0.000 0.571 239 E N 0.540 120.680 120.200 -0.101 0.000 2.321 239 E HA 0.443 4.793 4.350 -0.000 0.000 0.278 239 E C -1.408 175.106 176.600 -0.143 0.000 0.902 239 E CA -0.421 55.901 56.400 -0.130 0.000 0.758 239 E CB 1.933 31.593 29.700 -0.066 0.000 1.213 239 E HN -0.066 nan 8.360 nan 0.000 0.426 240 I N 4.297 124.736 120.570 -0.219 0.000 2.439 240 I HA 0.329 4.499 4.170 -0.000 0.000 0.283 240 I C -0.578 175.582 176.117 0.072 0.000 1.023 240 I CA -0.655 60.571 61.300 -0.124 0.000 1.100 240 I CB 1.506 39.334 38.000 -0.288 0.000 1.238 240 I HN 0.235 nan 8.210 nan 0.000 0.445 241 K N 6.787 127.249 120.400 0.103 0.000 2.164 241 K HA 0.633 4.953 4.320 -0.000 0.000 0.258 241 K C -1.372 175.347 176.600 0.199 0.000 0.951 241 K CA -0.743 55.605 56.287 0.102 0.000 0.844 241 K CB 2.170 34.672 32.500 0.004 0.000 1.099 241 K HN 0.490 nan 8.250 nan 0.000 0.435 242 Y N -1.927 118.394 120.300 0.036 0.000 2.562 242 Y HA 0.634 5.184 4.550 -0.000 0.000 0.345 242 Y C -0.540 175.369 175.900 0.015 0.000 1.045 242 Y CA -1.091 57.024 58.100 0.025 0.000 1.028 242 Y CB 1.709 40.199 38.460 0.050 0.000 1.297 242 Y HN 0.653 nan 8.280 nan 0.000 0.463 243 S N -0.343 115.398 115.700 0.068 0.000 2.705 243 S HA 0.577 5.047 4.470 -0.000 0.000 0.280 243 S C -2.782 171.853 174.600 0.058 0.000 1.174 243 S CA -1.543 56.657 58.200 -0.001 0.000 0.823 243 S CB 1.687 64.871 63.200 -0.027 0.000 1.162 243 S HN 0.416 nan 8.310 nan 0.000 0.487 244 P HA 0.176 nan 4.420 nan 0.000 0.226 244 P C 1.220 178.526 177.300 0.009 0.000 1.153 244 P CA 1.118 64.243 63.100 0.042 0.000 0.777 244 P CB -0.317 31.402 31.700 0.032 0.000 0.794 245 G N -1.696 107.099 108.800 -0.009 0.000 2.719 245 G HA2 0.425 4.385 3.960 -0.000 0.000 0.211 245 G HA3 0.425 4.385 3.960 -0.000 0.000 0.211 245 G C 0.632 175.486 174.900 -0.077 0.000 1.140 245 G CA 0.587 45.666 45.100 -0.035 0.000 0.790 245 G HN 0.512 nan 8.290 nan 0.000 0.529 246 G N -1.369 107.392 108.800 -0.064 0.000 2.348 246 G HA2 0.545 4.505 3.960 -0.000 0.000 0.296 246 G HA3 0.545 4.505 3.960 -0.000 0.000 0.296 246 G C -1.650 173.237 174.900 -0.021 0.000 1.258 246 G CA 0.272 45.311 45.100 -0.100 0.000 0.868 246 G HN 1.109 nan 8.290 nan 0.000 0.488 247 V N -3.378 116.530 119.914 -0.010 0.000 3.114 247 V HA 0.982 5.102 4.120 -0.000 0.000 0.308 247 V C -0.651 175.467 176.094 0.041 0.000 1.168 247 V CA -0.546 61.786 62.300 0.052 0.000 1.015 247 V CB 1.519 33.385 31.823 0.072 0.000 1.050 247 V HN 1.149 nan 8.190 nan 0.000 0.433 248 T N 1.655 116.241 114.554 0.054 0.000 2.893 248 T HA 0.758 5.108 4.350 -0.000 0.000 0.293 248 T C -1.029 173.701 174.700 0.050 0.000 1.027 248 T CA -0.491 61.636 62.100 0.045 0.000 0.988 248 T CB 1.770 70.650 68.868 0.019 0.000 1.043 248 T HN 0.892 nan 8.240 nan 0.000 0.461 249 V N 3.453 123.413 119.914 0.076 0.000 2.577 249 V HA 0.483 4.603 4.120 -0.000 0.000 0.303 249 V C -0.554 175.609 176.094 0.115 0.000 1.042 249 V CA -0.962 61.382 62.300 0.073 0.000 0.872 249 V CB 1.930 33.801 31.823 0.081 0.000 0.998 249 V HN 0.736 nan 8.190 nan 0.000 0.423 250 K N 2.561 122.988 120.400 0.046 0.000 2.221 250 K HA 0.719 5.039 4.320 -0.000 0.000 0.258 250 K C -0.077 176.550 176.600 0.045 0.000 0.944 250 K CA -0.623 55.684 56.287 0.033 0.000 0.823 250 K CB 2.196 34.688 32.500 -0.014 0.000 1.113 250 K HN 0.815 nan 8.250 nan 0.000 0.431 251 T N -2.020 112.576 114.554 0.071 0.000 2.944 251 T HA 0.168 4.518 4.350 -0.000 0.000 0.284 251 T C 1.105 175.821 174.700 0.026 0.000 1.010 251 T CA -0.847 61.289 62.100 0.060 0.000 1.025 251 T CB 1.695 70.631 68.868 0.114 0.000 1.079 251 T HN 0.695 nan 8.240 nan 0.000 0.516 252 E N 0.375 120.589 120.200 0.023 0.000 2.160 252 E HA -0.209 4.141 4.350 -0.000 0.000 0.195 252 E C 1.094 177.704 176.600 0.017 0.000 0.991 252 E CA 1.554 57.966 56.400 0.021 0.000 0.810 252 E CB -0.104 29.620 29.700 0.038 0.000 0.742 252 E HN 0.823 nan 8.360 nan 0.000 0.466 253 D N -0.832 119.580 120.400 0.019 0.000 2.336 253 D HA -0.099 4.541 4.640 -0.000 0.000 0.229 253 D C 0.136 176.433 176.300 -0.005 0.000 1.061 253 D CA 0.237 54.244 54.000 0.011 0.000 0.875 253 D CB -0.057 40.753 40.800 0.017 0.000 0.904 253 D HN 0.138 nan 8.370 nan 0.000 0.525 254 N N -1.367 117.325 118.700 -0.013 0.000 2.994 254 N HA -0.152 4.588 4.740 -0.000 0.000 0.221 254 N C -0.649 174.813 175.510 -0.080 0.000 0.900 254 N CA 0.733 53.760 53.050 -0.038 0.000 1.008 254 N CB -1.643 36.823 38.487 -0.035 0.000 1.053 254 N HN 0.165 nan 8.380 nan 0.000 0.580 255 S N 0.556 116.201 115.700 -0.091 0.000 2.584 255 S HA 0.426 4.896 4.470 -0.000 0.000 0.270 255 S C 0.547 174.942 174.600 -0.342 0.000 1.346 255 S CA -0.118 57.931 58.200 -0.251 0.000 1.018 255 S CB 1.976 65.033 63.200 -0.239 0.000 0.899 255 S HN 0.144 nan 8.310 nan 0.000 0.542 256 V N 2.406 121.975 119.914 -0.574 0.000 2.686 256 V HA 0.502 4.622 4.120 -0.000 0.000 0.306 256 V C -1.485 174.243 176.094 -0.610 0.000 1.065 256 V CA -0.682 61.375 62.300 -0.406 0.000 0.894 256 V CB 1.290 32.991 31.823 -0.203 0.000 1.004 256 V HN 0.854 nan 8.190 nan 0.000 0.424 257 Y N 0.942 121.227 120.300 -0.024 0.000 2.576 257 Y HA 0.750 5.300 4.550 -0.000 0.000 0.346 257 Y C 0.383 176.271 175.900 -0.019 0.000 1.018 257 Y CA -0.723 57.364 58.100 -0.021 0.000 1.050 257 Y CB 2.589 41.035 38.460 -0.023 0.000 1.280 257 Y HN 0.544 nan 8.280 nan 0.000 0.474 258 S N 0.662 116.454 115.700 0.154 0.000 2.568 258 S HA 0.957 5.427 4.470 -0.000 0.000 0.293 258 S C -1.009 173.629 174.600 0.064 0.000 1.089 258 S CA -0.611 57.634 58.200 0.075 0.000 0.945 258 S CB 1.964 65.186 63.200 0.037 0.000 1.077 258 S HN 0.861 nan 8.310 nan 0.000 0.485 259 A N 0.859 123.697 122.820 0.029 0.000 2.540 259 A HA 0.610 4.930 4.320 -0.000 0.000 0.291 259 A C -0.752 176.811 177.584 -0.035 0.000 1.083 259 A CA -0.590 51.457 52.037 0.017 0.000 0.650 259 A CB 0.222 19.241 19.000 0.032 0.000 1.292 259 A HN 0.613 nan 8.150 nan 0.000 0.435 260 D N -0.978 119.391 120.400 -0.051 0.000 2.249 260 D HA 0.190 4.830 4.640 -0.000 0.000 0.205 260 D C -0.533 175.362 176.300 -0.677 0.000 0.962 260 D CA 1.958 55.794 54.000 -0.273 0.000 0.860 260 D CB 0.112 40.831 40.800 -0.134 0.000 0.955 260 D HN 0.433 nan 8.370 nan 0.000 0.505 261 Y N -1.334 118.976 120.300 0.016 0.000 2.609 261 Y HA 0.413 4.963 4.550 -0.000 0.000 0.336 261 Y C -0.657 175.244 175.900 0.002 0.000 1.129 261 Y CA -1.106 57.011 58.100 0.028 0.000 1.040 261 Y CB 2.192 40.630 38.460 -0.036 0.000 1.310 261 Y HN -0.375 nan 8.280 nan 0.000 0.460 262 V N 3.152 123.180 119.914 0.190 0.000 2.709 262 V HA 0.707 4.827 4.120 -0.000 0.000 0.308 262 V C -1.494 174.617 176.094 0.029 0.000 1.062 262 V CA -0.763 61.575 62.300 0.064 0.000 0.901 262 V CB 1.838 33.670 31.823 0.015 0.000 1.003 262 V HN 0.750 nan 8.190 nan 0.000 0.425 263 M N 7.546 127.129 119.600 -0.028 0.000 2.043 263 M HA 0.575 5.055 4.480 -0.000 0.000 0.322 263 M C -1.459 174.793 176.300 -0.081 0.000 0.962 263 M CA -0.168 55.097 55.300 -0.058 0.000 0.927 263 M CB 1.239 33.799 32.600 -0.067 0.000 1.466 263 M HN 0.364 nan 8.290 nan 0.000 0.412 264 V N 4.775 124.601 119.914 -0.148 0.000 2.385 264 V HA 0.346 4.466 4.120 -0.000 0.000 0.269 264 V C 0.740 176.876 176.094 0.069 0.000 1.043 264 V CA 0.204 62.476 62.300 -0.047 0.000 0.906 264 V CB 0.636 32.424 31.823 -0.059 0.000 0.995 264 V HN 1.002 nan 8.190 nan 0.000 0.467 265 S N 3.323 119.062 115.700 0.065 0.000 2.539 265 S HA 0.370 4.840 4.470 -0.000 0.000 0.221 265 S C 0.837 175.529 174.600 0.153 0.000 0.987 265 S CA 0.235 58.497 58.200 0.105 0.000 0.929 265 S CB 0.325 63.555 63.200 0.051 0.000 0.832 265 S HN 0.909 nan 8.310 nan 0.000 0.492 266 A N 2.608 125.504 122.820 0.128 0.000 2.507 266 A HA 0.533 4.853 4.320 -0.000 0.000 0.235 266 A C 0.886 178.551 177.584 0.135 0.000 1.070 266 A CA 0.163 52.252 52.037 0.087 0.000 0.768 266 A CB -0.190 18.840 19.000 0.050 0.000 1.011 266 A HN 0.987 nan 8.150 nan 0.000 0.502 267 S N 1.111 116.855 115.700 0.073 0.000 2.572 267 S HA 0.092 4.562 4.470 -0.000 0.000 0.267 267 S C 1.076 175.504 174.600 -0.287 0.000 1.361 267 S CA 0.260 58.458 58.200 -0.004 0.000 1.009 267 S CB 0.235 63.489 63.200 0.090 0.000 0.888 267 S HN 1.405 nan 8.310 nan 0.000 0.553 268 L N 2.626 123.476 121.223 -0.621 0.000 2.079 268 L HA 0.131 4.471 4.340 -0.000 0.000 0.210 268 L C 2.339 179.074 176.870 -0.225 0.000 1.081 268 L CA 2.453 56.955 54.840 -0.562 0.000 0.752 268 L CB -1.445 40.385 42.059 -0.383 0.000 0.896 268 L HN 0.966 nan 8.230 nan 0.000 0.433 269 G N -1.104 107.643 108.800 -0.089 0.000 2.422 269 G HA2 -0.198 3.762 3.960 -0.000 0.000 0.218 269 G HA3 -0.198 3.762 3.960 -0.000 0.000 0.218 269 G C 1.522 176.421 174.900 -0.001 0.000 1.146 269 G CA 0.998 46.103 45.100 0.007 0.000 0.769 269 G HN 0.334 nan 8.290 nan 0.000 0.547 270 V N 0.869 120.777 119.914 -0.010 0.000 2.343 270 V HA -0.096 4.024 4.120 -0.000 0.000 0.247 270 V C 2.883 178.979 176.094 0.004 0.000 1.051 270 V CA 1.295 63.599 62.300 0.007 0.000 1.036 270 V CB -0.331 31.498 31.823 0.011 0.000 0.654 270 V HN 0.345 nan 8.190 nan 0.000 0.451 271 L N -0.588 120.608 121.223 -0.045 0.000 2.141 271 L HA -0.206 4.134 4.340 -0.000 0.000 0.209 271 L C 2.540 179.322 176.870 -0.146 0.000 1.094 271 L CA 1.453 56.263 54.840 -0.050 0.000 0.763 271 L CB -0.496 41.477 42.059 -0.144 0.000 0.908 271 L HN 0.408 nan 8.230 nan 0.000 0.437 272 Q N -0.714 118.959 119.800 -0.212 0.000 2.435 272 Q HA -0.100 4.240 4.340 -0.000 0.000 0.207 272 Q C 2.154 178.227 176.000 0.121 0.000 0.956 272 Q CA 1.318 56.944 55.803 -0.295 0.000 0.917 272 Q CB 0.091 28.709 28.738 -0.201 0.000 0.997 272 Q HN 0.525 nan 8.270 nan 0.000 0.497 273 S N -0.595 115.153 115.700 0.081 0.000 2.558 273 S HA -0.018 4.452 4.470 -0.000 0.000 0.217 273 S C 0.256 174.921 174.600 0.108 0.000 0.975 273 S CA 0.332 58.595 58.200 0.106 0.000 0.912 273 S CB 0.356 63.583 63.200 0.045 0.000 0.776 273 S HN 0.225 nan 8.310 nan 0.000 0.526 274 D N -0.574 119.903 120.400 0.128 0.000 3.028 274 D HA -0.138 4.502 4.640 -0.000 0.000 0.207 274 D C 0.524 176.863 176.300 0.065 0.000 1.100 274 D CA 0.881 54.948 54.000 0.111 0.000 0.995 274 D CB -1.697 39.159 40.800 0.093 0.000 1.108 274 D HN 0.493 nan 8.370 nan 0.000 0.421 275 L N 0.367 121.621 121.223 0.051 0.000 2.083 275 L HA 0.091 4.431 4.340 -0.000 0.000 0.209 275 L C 0.821 177.700 176.870 0.014 0.000 1.083 275 L CA 1.572 56.430 54.840 0.031 0.000 0.752 275 L CB 0.056 42.139 42.059 0.041 0.000 0.899 275 L HN 0.172 nan 8.230 nan 0.000 0.433 276 I N 0.641 121.216 120.570 0.009 0.000 2.321 276 I HA 0.207 4.377 4.170 -0.000 0.000 0.291 276 I C -0.062 175.986 176.117 -0.116 0.000 0.998 276 I CA -0.302 60.940 61.300 -0.096 0.000 1.227 276 I CB 1.262 39.151 38.000 -0.185 0.000 1.368 276 I HN 0.169 nan 8.210 nan 0.000 0.466 277 Q N 6.147 125.864 119.800 -0.139 0.000 2.256 277 Q HA 0.406 4.746 4.340 -0.000 0.000 0.254 277 Q C -1.587 174.306 176.000 -0.178 0.000 0.916 277 Q CA -0.445 55.324 55.803 -0.058 0.000 0.932 277 Q CB 1.017 29.743 28.738 -0.021 0.000 1.207 277 Q HN 0.451 nan 8.270 nan 0.000 0.426 278 F N 2.831 122.840 119.950 0.098 0.000 2.421 278 F HA 0.450 4.977 4.527 -0.000 0.000 0.337 278 F C 0.188 176.075 175.800 0.145 0.000 1.105 278 F CA -0.478 57.627 58.000 0.174 0.000 1.049 278 F CB 1.568 40.696 39.000 0.214 0.000 1.139 278 F HN 0.397 nan 8.300 nan 0.000 0.479 279 K N 5.401 125.971 120.400 0.284 0.000 2.637 279 K HA 0.353 4.673 4.320 -0.000 0.000 0.248 279 K C -2.928 173.508 176.600 -0.273 0.000 0.971 279 K CA -1.940 54.371 56.287 0.040 0.000 0.858 279 K CB 1.887 34.388 32.500 0.002 0.000 1.170 279 K HN 0.205 nan 8.250 nan 0.000 0.443 280 P HA 0.075 nan 4.420 nan 0.000 0.275 280 P C -0.889 176.495 177.300 0.140 0.000 1.266 280 P CA -0.397 62.634 63.100 -0.114 0.000 0.793 280 P CB 0.787 32.399 31.700 -0.146 0.000 1.074 281 K N 0.295 120.768 120.400 0.123 0.000 2.469 281 K HA 0.118 4.438 4.320 -0.000 0.000 0.274 281 K C 0.441 177.115 176.600 0.124 0.000 0.983 281 K CA -0.136 56.242 56.287 0.152 0.000 0.974 281 K CB -0.172 32.373 32.500 0.076 0.000 0.913 281 K HN 0.370 nan 8.250 nan 0.000 0.493 282 L N 4.329 125.566 121.223 0.024 0.000 2.483 282 L HA 0.088 4.428 4.340 -0.000 0.000 0.275 282 L C -1.692 175.057 176.870 -0.200 0.000 1.220 282 L CA -1.710 53.024 54.840 -0.177 0.000 0.833 282 L CB -0.119 41.679 42.059 -0.435 0.000 1.102 282 L HN 0.461 nan 8.230 nan 0.000 0.490 283 P HA 0.065 nan 4.420 nan 0.000 0.272 283 P C 0.512 177.569 177.300 -0.406 0.000 1.230 283 P CA -0.321 62.603 63.100 -0.294 0.000 0.788 283 P CB 0.560 32.083 31.700 -0.295 0.000 0.949 284 T N 0.629 115.080 114.554 -0.171 0.000 2.653 284 T HA -0.166 4.184 4.350 -0.000 0.000 0.268 284 T C 1.539 176.183 174.700 -0.093 0.000 1.035 284 T CA 1.819 63.868 62.100 -0.086 0.000 1.154 284 T CB -0.604 68.280 68.868 0.027 0.000 0.862 284 T HN 0.635 nan 8.240 nan 0.000 0.441 285 W N 2.327 123.618 121.300 -0.015 0.000 2.374 285 W HA -0.062 4.598 4.660 -0.000 0.000 0.288 285 W C 1.907 178.381 176.519 -0.074 0.000 1.218 285 W CA 1.197 58.526 57.345 -0.027 0.000 1.245 285 W CB -0.823 28.625 29.460 -0.020 0.000 1.126 285 W HN 0.169 nan 8.180 nan 0.000 0.545 286 K N 1.672 121.419 120.400 -1.088 0.000 2.031 286 K HA -0.084 4.235 4.320 -0.000 0.000 0.205 286 K C 2.000 178.304 176.600 -0.493 0.000 1.049 286 K CA 2.227 57.892 56.287 -1.036 0.000 0.939 286 K CB -0.886 30.777 32.500 -1.394 0.000 0.717 286 K HN 0.024 nan 8.250 nan 0.000 0.438 287 V N 1.902 121.592 119.914 -0.373 0.000 2.392 287 V HA -0.231 3.889 4.120 -0.000 0.000 0.249 287 V C 2.442 178.550 176.094 0.022 0.000 1.059 287 V CA 1.979 64.202 62.300 -0.129 0.000 1.051 287 V CB -0.489 31.305 31.823 -0.048 0.000 0.658 287 V HN 0.321 nan 8.190 nan 0.000 0.455 288 R N 0.082 120.586 120.500 0.007 0.000 2.092 288 R HA -0.060 4.280 4.340 -0.000 0.000 0.231 288 R C 2.410 178.745 176.300 0.059 0.000 1.119 288 R CA 1.453 57.597 56.100 0.075 0.000 0.970 288 R CB -0.670 29.679 30.300 0.082 0.000 0.864 288 R HN 0.538 nan 8.270 nan 0.000 0.440 289 A N 1.386 124.205 122.820 -0.001 0.000 1.930 289 A HA -0.098 4.222 4.320 -0.000 0.000 0.217 289 A C 2.209 179.737 177.584 -0.093 0.000 1.175 289 A CA 0.963 52.981 52.037 -0.032 0.000 0.627 289 A CB -0.412 18.542 19.000 -0.078 0.000 0.815 289 A HN 0.145 nan 8.150 nan 0.000 0.443 290 I N -1.952 118.502 120.570 -0.193 0.000 2.179 290 I HA -0.290 3.880 4.170 -0.000 0.000 0.242 290 I C 2.229 178.184 176.117 -0.269 0.000 1.088 290 I CA 1.574 62.685 61.300 -0.315 0.000 1.357 290 I CB -0.326 37.373 38.000 -0.502 0.000 1.051 290 I HN 0.429 nan 8.210 nan 0.000 0.409 291 Y N 0.225 120.503 120.300 -0.037 0.000 2.516 291 Y HA -0.119 4.431 4.550 -0.000 0.000 0.291 291 Y C 2.544 178.457 175.900 0.022 0.000 1.131 291 Y CA 0.672 58.770 58.100 -0.003 0.000 1.281 291 Y CB -0.138 38.316 38.460 -0.010 0.000 1.013 291 Y HN 0.204 nan 8.280 nan 0.000 0.554 292 Q N -0.948 118.941 119.800 0.149 0.000 2.245 292 Q HA -0.063 4.277 4.340 -0.000 0.000 0.201 292 Q C 0.113 176.181 176.000 0.114 0.000 0.955 292 Q CA 0.331 56.208 55.803 0.123 0.000 0.870 292 Q CB 0.120 28.927 28.738 0.115 0.000 0.945 292 Q HN 0.270 nan 8.270 nan 0.000 0.461 293 F N 1.187 121.101 119.950 -0.061 0.000 2.380 293 F HA 0.090 4.617 4.527 -0.000 0.000 0.325 293 F C 0.004 175.775 175.800 -0.048 0.000 1.136 293 F CA -0.566 57.382 58.000 -0.087 0.000 1.171 293 F CB 0.864 39.796 39.000 -0.115 0.000 1.230 293 F HN -0.135 nan 8.300 nan 0.000 0.554 294 D N 3.013 123.227 120.400 -0.311 0.000 2.168 294 D HA 0.281 4.921 4.640 -0.000 0.000 0.246 294 D C -0.791 175.490 176.300 -0.032 0.000 1.050 294 D CA -0.219 53.693 54.000 -0.148 0.000 0.857 294 D CB 1.664 42.336 40.800 -0.213 0.000 1.169 294 D HN 0.326 nan 8.370 nan 0.000 0.453 295 M N 2.591 122.194 119.600 0.006 0.000 2.047 295 M HA 0.548 5.028 4.480 -0.000 0.000 0.342 295 M C -0.842 175.436 176.300 -0.036 0.000 1.058 295 M CA -0.443 54.871 55.300 0.022 0.000 0.991 295 M CB 0.890 33.519 32.600 0.048 0.000 1.474 295 M HN 0.368 nan 8.290 nan 0.000 0.419 296 A N 4.191 126.939 122.820 -0.120 0.000 2.272 296 A HA 0.831 5.151 4.320 -0.000 0.000 0.275 296 A C -0.942 176.458 177.584 -0.308 0.000 1.096 296 A CA -0.647 51.253 52.037 -0.227 0.000 0.822 296 A CB 0.757 19.590 19.000 -0.278 0.000 1.088 296 A HN 0.732 nan 8.150 nan 0.000 0.495 297 V N -0.161 119.598 119.914 -0.258 0.000 2.638 297 V HA 0.450 4.570 4.120 -0.000 0.000 0.306 297 V C -1.323 174.727 176.094 -0.073 0.000 1.052 297 V CA -0.319 61.895 62.300 -0.143 0.000 0.885 297 V CB 1.407 33.211 31.823 -0.032 0.000 0.999 297 V HN 0.803 nan 8.190 nan 0.000 0.424 298 Y N 2.225 122.422 120.300 -0.173 0.000 2.322 298 Y HA 0.601 5.151 4.550 -0.000 0.000 0.324 298 Y C -0.108 175.868 175.900 0.126 0.000 1.027 298 Y CA -0.195 57.897 58.100 -0.014 0.000 1.179 298 Y CB 1.918 40.389 38.460 0.018 0.000 1.136 298 Y HN 0.674 nan 8.280 nan 0.000 0.449 299 T N 6.657 121.264 114.554 0.089 0.000 2.756 299 T HA 0.324 4.674 4.350 -0.000 0.000 0.290 299 T C -0.666 174.050 174.700 0.027 0.000 0.985 299 T CA -0.828 61.363 62.100 0.151 0.000 0.955 299 T CB 0.505 69.436 68.868 0.105 0.000 0.930 299 T HN 0.473 nan 8.240 nan 0.000 0.451 300 K N 3.769 124.259 120.400 0.151 0.000 2.257 300 K HA 0.380 4.700 4.320 -0.000 0.000 0.270 300 K C -0.371 176.161 176.600 -0.114 0.000 1.098 300 K CA -0.254 56.030 56.287 -0.005 0.000 0.943 300 K CB 0.510 33.134 32.500 0.206 0.000 1.316 300 K HN 0.565 nan 8.250 nan 0.000 0.447 301 I N 4.319 124.758 120.570 -0.217 0.000 2.301 301 I HA 0.182 4.352 4.170 -0.000 0.000 0.292 301 I C -0.268 175.668 176.117 -0.300 0.000 1.046 301 I CA -0.565 60.644 61.300 -0.151 0.000 1.282 301 I CB 0.161 38.107 38.000 -0.089 0.000 1.409 301 I HN 0.298 nan 8.210 nan 0.000 0.484 302 F N 6.779 126.590 119.950 -0.232 0.000 2.379 302 F HA 0.597 5.124 4.527 -0.000 0.000 0.332 302 F C 0.047 175.674 175.800 -0.289 0.000 1.096 302 F CA -0.444 57.341 58.000 -0.358 0.000 1.105 302 F CB 1.060 39.504 39.000 -0.927 0.000 1.189 302 F HN 0.189 nan 8.300 nan 0.000 0.515 303 L N 2.639 123.998 121.223 0.228 0.000 2.431 303 L HA 0.484 4.824 4.340 -0.000 0.000 0.266 303 L C -0.700 176.370 176.870 0.332 0.000 0.978 303 L CA -0.778 54.211 54.840 0.248 0.000 0.822 303 L CB 2.309 44.446 42.059 0.130 0.000 1.310 303 L HN 0.487 nan 8.230 nan 0.000 0.409 304 K N 2.105 122.567 120.400 0.103 0.000 2.270 304 K HA 0.721 5.041 4.320 -0.000 0.000 0.255 304 K C -1.689 174.733 176.600 -0.296 0.000 0.936 304 K CA -0.427 55.867 56.287 0.010 0.000 0.809 304 K CB 1.255 33.663 32.500 -0.153 0.000 1.131 304 K HN 0.329 nan 8.250 nan 0.000 0.427 305 F N 3.343 123.459 119.950 0.277 0.000 2.579 305 F HA 0.389 4.916 4.527 -0.000 0.000 0.324 305 F C -1.576 174.333 175.800 0.182 0.000 1.058 305 F CA -2.332 55.833 58.000 0.275 0.000 0.944 305 F CB 1.579 40.852 39.000 0.456 0.000 1.245 305 F HN 0.479 nan 8.300 nan 0.000 0.477 306 P HA -0.012 nan 4.420 nan 0.000 0.226 306 P C -0.841 176.549 177.300 0.151 0.000 1.153 306 P CA 0.876 64.085 63.100 0.182 0.000 0.777 306 P CB 0.173 31.958 31.700 0.143 0.000 0.794 307 R N -2.573 118.044 120.500 0.194 0.000 2.753 307 R HA 0.356 4.696 4.340 -0.000 0.000 0.272 307 R C -1.139 175.098 176.300 -0.105 0.000 1.034 307 R CA -1.125 54.996 56.100 0.034 0.000 0.869 307 R CB 0.735 31.037 30.300 0.002 0.000 1.264 307 R HN -0.281 nan 8.270 nan 0.000 0.481 308 K N 1.555 121.669 120.400 -0.476 0.000 2.237 308 K HA 0.224 4.544 4.320 -0.000 0.000 0.270 308 K C -0.674 175.310 176.600 -1.027 0.000 1.015 308 K CA -0.388 55.077 56.287 -1.370 0.000 0.949 308 K CB 0.420 32.068 32.500 -1.421 0.000 0.976 308 K HN 0.662 nan 8.250 nan 0.000 0.472 309 F N 0.362 119.627 119.950 -1.141 0.000 2.960 309 F HA 0.341 4.868 4.527 -0.000 0.000 0.345 309 F C -0.877 174.437 175.800 -0.810 0.000 1.147 309 F CA -1.292 56.285 58.000 -0.706 0.000 1.099 309 F CB -0.503 38.198 39.000 -0.499 0.000 1.219 309 F HN 0.443 nan 8.300 nan 0.000 0.525 310 W N 0.739 121.413 121.300 -1.043 0.000 2.655 310 W HA 0.906 5.566 4.660 -0.000 0.000 0.358 310 W C -3.025 173.168 176.519 -0.544 0.000 1.100 310 W CA -3.104 53.630 57.345 -1.018 0.000 1.195 310 W CB -0.443 28.347 29.460 -1.115 0.000 1.403 310 W HN -0.343 nan 8.180 nan 0.000 0.589 311 P HA 0.178 nan 4.420 nan 0.000 0.271 311 P C -0.885 176.385 177.300 -0.050 0.000 1.218 311 P CA -0.013 63.020 63.100 -0.110 0.000 0.780 311 P CB 0.891 32.574 31.700 -0.028 0.000 0.901 312 E N 0.415 120.554 120.200 -0.102 0.000 2.343 312 E HA 0.703 5.053 4.350 -0.000 0.000 0.270 312 E C -0.338 176.206 176.600 -0.093 0.000 0.895 312 E CA -0.883 55.472 56.400 -0.074 0.000 0.767 312 E CB 2.204 31.845 29.700 -0.098 0.000 1.248 312 E HN 0.678 nan 8.360 nan 0.000 0.440 313 G N 1.443 110.182 108.800 -0.102 0.000 2.334 313 G HA2 -0.091 3.869 3.960 -0.000 0.000 0.315 313 G HA3 -0.091 3.869 3.960 -0.000 0.000 0.315 313 G C -1.224 173.583 174.900 -0.155 0.000 1.284 313 G CA -1.025 44.007 45.100 -0.114 0.000 0.985 313 G HN 0.439 nan 8.290 nan 0.000 0.504 314 K N 0.433 120.727 120.400 -0.178 0.000 2.472 314 K HA 0.392 4.712 4.320 -0.000 0.000 0.280 314 K C 1.497 177.842 176.600 -0.426 0.000 1.028 314 K CA 1.558 57.667 56.287 -0.298 0.000 1.045 314 K CB -0.173 32.163 32.500 -0.274 0.000 0.902 314 K HN 2.382 nan 8.250 nan 0.000 0.478 315 G N 4.031 112.489 108.800 -0.570 0.000 2.189 315 G HA2 -0.280 3.680 3.960 -0.000 0.000 0.267 315 G HA3 -0.280 3.680 3.960 -0.000 0.000 0.267 315 G C 0.764 175.610 174.900 -0.090 0.000 0.975 315 G CA 0.274 45.080 45.100 -0.491 0.000 0.644 315 G HN 0.678 nan 8.290 nan 0.000 0.537 316 R N 0.370 120.803 120.500 -0.112 0.000 2.275 316 R HA 0.153 4.493 4.340 -0.000 0.000 0.199 316 R C 2.017 178.297 176.300 -0.033 0.000 0.989 316 R CA 0.963 57.037 56.100 -0.043 0.000 1.016 316 R CB -0.411 29.843 30.300 -0.076 0.000 0.918 316 R HN 0.759 nan 8.270 nan 0.000 0.473 317 E N -0.043 120.059 120.200 -0.164 0.000 2.097 317 E HA -0.135 4.215 4.350 -0.000 0.000 0.196 317 E C -0.546 175.772 176.600 -0.471 0.000 1.000 317 E CA 1.043 57.177 56.400 -0.444 0.000 0.804 317 E CB 0.122 29.369 29.700 -0.755 0.000 0.740 317 E HN 0.103 nan 8.360 nan 0.000 0.454 318 F N -0.070 120.009 119.950 0.216 0.000 2.469 318 F HA 0.400 4.927 4.527 -0.000 0.000 0.332 318 F C -0.424 175.648 175.800 0.453 0.000 1.103 318 F CA -1.185 56.990 58.000 0.292 0.000 0.979 318 F CB 1.458 40.650 39.000 0.319 0.000 1.137 318 F HN -0.096 nan 8.300 nan 0.000 0.463 319 F N 1.021 121.189 119.950 0.364 0.000 2.631 319 F HA 0.829 5.356 4.527 -0.000 0.000 0.308 319 F C -2.071 173.964 175.800 0.391 0.000 1.097 319 F CA -1.412 56.796 58.000 0.346 0.000 0.952 319 F CB 1.339 40.557 39.000 0.364 0.000 1.307 319 F HN 0.159 nan 8.300 nan 0.000 0.450 320 L N 2.340 123.849 121.223 0.478 0.000 2.342 320 L HA 0.483 4.823 4.340 -0.000 0.000 0.271 320 L C -1.544 175.639 176.870 0.521 0.000 1.008 320 L CA -1.220 53.851 54.840 0.384 0.000 0.818 320 L CB 2.194 44.386 42.059 0.222 0.000 1.296 320 L HN 0.738 nan 8.230 nan 0.000 0.427 321 Y N 1.633 122.136 120.300 0.338 0.000 2.334 321 Y HA 0.569 5.119 4.550 -0.000 0.000 0.336 321 Y C 0.028 176.073 175.900 0.242 0.000 0.960 321 Y CA -1.219 57.063 58.100 0.304 0.000 1.164 321 Y CB 1.580 40.233 38.460 0.321 0.000 1.155 321 Y HN 0.583 nan 8.280 nan 0.000 0.478 322 A N 5.220 127.942 122.820 -0.163 0.000 2.990 322 A HA 0.336 4.656 4.320 -0.000 0.000 0.282 322 A C 0.460 177.817 177.584 -0.378 0.000 1.688 322 A CA -0.006 51.930 52.037 -0.168 0.000 1.391 322 A CB -0.910 18.109 19.000 0.031 0.000 1.112 322 A HN 0.677 nan 8.150 nan 0.000 0.588 323 S N 0.886 116.322 115.700 -0.441 0.000 2.585 323 S HA 0.197 4.667 4.470 -0.000 0.000 0.273 323 S C 1.610 176.167 174.600 -0.072 0.000 1.339 323 S CA 0.126 58.179 58.200 -0.244 0.000 1.028 323 S CB 0.526 63.786 63.200 0.100 0.000 0.906 323 S HN 1.106 nan 8.310 nan 0.000 0.528 324 S N 2.811 118.495 115.700 -0.027 0.000 2.561 324 S HA 0.055 4.525 4.470 -0.000 0.000 0.225 324 S C 0.757 175.353 174.600 -0.008 0.000 0.977 324 S CA -0.001 58.194 58.200 -0.008 0.000 0.926 324 S CB -0.220 62.980 63.200 0.000 0.000 0.769 324 S HN 0.723 nan 8.310 nan 0.000 0.533 325 R N 2.071 122.566 120.500 -0.009 0.000 2.215 325 R HA 0.317 4.657 4.340 -0.000 0.000 0.337 325 R C -0.114 176.198 176.300 0.019 0.000 1.010 325 R CA -0.719 55.369 56.100 -0.021 0.000 0.871 325 R CB 0.481 30.715 30.300 -0.109 0.000 1.134 325 R HN 0.232 nan 8.270 nan 0.000 0.477 326 R N 2.797 123.307 120.500 0.016 0.000 2.523 326 R HA -0.092 4.248 4.340 -0.000 0.000 0.281 326 R C 0.602 176.891 176.300 -0.018 0.000 0.969 326 R CA 1.958 58.069 56.100 0.019 0.000 1.093 326 R CB 0.112 30.450 30.300 0.062 0.000 0.917 326 R HN 1.012 nan 8.270 nan 0.000 0.408 327 G N 2.950 111.628 108.800 -0.203 0.000 2.168 327 G HA2 -0.343 3.617 3.960 -0.000 0.000 0.263 327 G HA3 -0.343 3.617 3.960 -0.000 0.000 0.263 327 G C -0.366 174.349 174.900 -0.309 0.000 0.977 327 G CA 0.451 45.236 45.100 -0.525 0.000 0.659 327 G HN 0.709 nan 8.290 nan 0.000 0.533 328 Y N 1.004 121.163 120.300 -0.234 0.000 2.486 328 Y HA 0.444 4.994 4.550 -0.000 0.000 0.348 328 Y C 1.145 177.037 175.900 -0.013 0.000 1.000 328 Y CA -0.789 57.215 58.100 -0.159 0.000 1.253 328 Y CB -0.391 38.086 38.460 0.029 0.000 1.140 328 Y HN 0.355 nan 8.280 nan 0.000 0.526 329 Y N 2.976 123.057 120.300 -0.366 0.000 2.973 329 Y HA -0.324 4.226 4.550 -0.000 0.000 0.210 329 Y C 1.584 177.444 175.900 -0.067 0.000 1.191 329 Y CA 0.596 58.505 58.100 -0.318 0.000 0.991 329 Y CB -1.102 37.161 38.460 -0.328 0.000 1.231 329 Y HN 0.855 nan 8.280 nan 0.000 0.504 330 G N -0.743 107.988 108.800 -0.115 0.000 2.603 330 G HA2 0.239 4.199 3.960 -0.000 0.000 0.214 330 G HA3 0.239 4.199 3.960 -0.000 0.000 0.214 330 G C 0.131 175.047 174.900 0.026 0.000 1.140 330 G CA 0.616 45.711 45.100 -0.007 0.000 0.800 330 G HN 0.198 nan 8.290 nan 0.000 0.533 331 V N 0.716 120.493 119.914 -0.228 0.000 2.376 331 V HA 0.496 4.616 4.120 -0.000 0.000 0.287 331 V C -1.205 174.590 176.094 -0.499 0.000 1.015 331 V CA -1.061 61.083 62.300 -0.259 0.000 0.834 331 V CB 0.998 32.562 31.823 -0.431 0.000 1.001 331 V HN 0.280 nan 8.190 nan 0.000 0.428 332 W N 2.687 123.732 121.300 -0.425 0.000 2.639 332 W HA 0.772 5.432 4.660 -0.000 0.000 0.347 332 W C 0.040 176.187 176.519 -0.621 0.000 1.067 332 W CA -0.400 56.505 57.345 -0.733 0.000 1.218 332 W CB 1.503 29.926 29.460 -1.729 0.000 1.393 332 W HN 0.455 nan 8.180 nan 0.000 0.557 333 Q N 1.778 121.414 119.800 -0.273 0.000 2.345 333 Q HA 0.355 4.695 4.340 -0.000 0.000 0.275 333 Q C -1.392 174.218 176.000 -0.650 0.000 1.063 333 Q CA -0.770 54.810 55.803 -0.372 0.000 0.819 333 Q CB 2.354 30.934 28.738 -0.264 0.000 1.356 333 Q HN 0.557 nan 8.270 nan 0.000 0.418 334 E N 1.783 121.571 120.200 -0.688 0.000 2.238 334 E HA 0.375 4.725 4.350 -0.000 0.000 0.267 334 E C -1.255 174.871 176.600 -0.790 0.000 0.887 334 E CA -0.620 55.382 56.400 -0.663 0.000 0.769 334 E CB 0.869 30.368 29.700 -0.335 0.000 1.187 334 E HN 0.498 nan 8.360 nan 0.000 0.416 335 F N 1.578 121.492 119.950 -0.060 0.000 2.983 335 F HA 0.188 4.715 4.527 -0.000 0.000 0.307 335 F C 1.176 176.882 175.800 -0.156 0.000 1.218 335 F CA -0.466 57.431 58.000 -0.173 0.000 1.323 335 F CB 0.146 39.152 39.000 0.009 0.000 0.989 335 F HN 0.650 nan 8.300 nan 0.000 0.509 336 E N 0.409 120.594 120.200 -0.024 0.000 2.171 336 E HA -0.251 4.099 4.350 -0.000 0.000 0.197 336 E C 1.433 177.949 176.600 -0.140 0.000 0.997 336 E CA 1.464 57.844 56.400 -0.035 0.000 0.810 336 E CB -0.207 29.456 29.700 -0.063 0.000 0.738 336 E HN 0.489 nan 8.360 nan 0.000 0.467 337 K N 0.153 120.365 120.400 -0.313 0.000 2.128 337 K HA -0.022 4.298 4.320 -0.000 0.000 0.202 337 K C 2.261 178.490 176.600 -0.618 0.000 1.050 337 K CA 0.983 56.967 56.287 -0.505 0.000 0.966 337 K CB 0.093 32.071 32.500 -0.871 0.000 0.759 337 K HN -0.003 nan 8.250 nan 0.000 0.454 338 Q N -0.250 119.141 119.800 -0.683 0.000 2.049 338 Q HA -0.065 4.275 4.340 -0.000 0.000 0.198 338 Q C 0.054 175.729 176.000 -0.541 0.000 0.971 338 Q CA 1.385 56.728 55.803 -0.767 0.000 0.833 338 Q CB 0.164 28.183 28.738 -1.198 0.000 0.896 338 Q HN 0.363 nan 8.270 nan 0.000 0.434 339 Y N -0.288 120.035 120.300 0.040 0.000 2.511 339 Y HA 0.356 4.906 4.550 -0.000 0.000 0.356 339 Y C -2.258 173.692 175.900 0.083 0.000 1.002 339 Y CA -2.932 55.204 58.100 0.060 0.000 1.127 339 Y CB 0.597 39.085 38.460 0.046 0.000 1.137 339 Y HN 0.007 nan 8.280 nan 0.000 0.652 340 P HA -0.082 nan 4.420 nan 0.000 0.264 340 P C 0.279 177.648 177.300 0.115 0.000 1.183 340 P CA 0.899 64.056 63.100 0.095 0.000 0.763 340 P CB 0.679 32.408 31.700 0.047 0.000 0.807 341 D N 0.489 120.948 120.400 0.099 0.000 2.946 341 D HA -0.239 4.401 4.640 -0.000 0.000 0.202 341 D C 1.065 177.436 176.300 0.118 0.000 1.068 341 D CA 1.638 55.688 54.000 0.084 0.000 1.011 341 D CB -1.412 39.417 40.800 0.048 0.000 1.105 341 D HN 0.535 nan 8.370 nan 0.000 0.425 342 A N 0.563 123.495 122.820 0.185 0.000 2.067 342 A HA -0.058 4.262 4.320 -0.000 0.000 0.217 342 A C 1.064 178.807 177.584 0.264 0.000 1.156 342 A CA 1.391 53.547 52.037 0.197 0.000 0.683 342 A CB 0.084 19.205 19.000 0.202 0.000 0.808 342 A HN 0.293 nan 8.150 nan 0.000 0.455 343 N N -1.488 117.433 118.700 0.368 0.000 2.754 343 N HA -0.122 4.617 4.740 -0.000 0.000 0.248 343 N C -0.604 175.312 175.510 0.677 0.000 1.093 343 N CA 1.029 54.410 53.050 0.550 0.000 0.699 343 N CB -1.828 36.907 38.487 0.414 0.000 1.016 343 N HN 0.260 nan 8.380 nan 0.000 0.552 344 V N 0.779 121.050 119.914 0.595 0.000 2.547 344 V HA 0.596 4.715 4.120 -0.000 0.000 0.299 344 V C 0.636 177.014 176.094 0.474 0.000 1.040 344 V CA -0.626 62.030 62.300 0.593 0.000 0.913 344 V CB 2.447 34.627 31.823 0.595 0.000 0.992 344 V HN 0.132 nan 8.190 nan 0.000 0.449 345 L N 4.130 125.606 121.223 0.420 0.000 2.354 345 L HA 0.648 4.988 4.340 -0.000 0.000 0.264 345 L C -1.268 175.787 176.870 0.308 0.000 1.008 345 L CA -0.886 54.067 54.840 0.188 0.000 0.819 345 L CB 2.187 44.312 42.059 0.110 0.000 1.339 345 L HN 0.443 nan 8.230 nan 0.000 0.420 346 L N 2.563 123.865 121.223 0.132 0.000 2.349 346 L HA 0.648 4.988 4.340 -0.000 0.000 0.278 346 L C -1.178 175.475 176.870 -0.363 0.000 0.996 346 L CA -0.359 54.412 54.840 -0.116 0.000 0.825 346 L CB 1.835 43.902 42.059 0.014 0.000 1.243 346 L HN 0.301 nan 8.230 nan 0.000 0.412 347 V N 4.888 124.432 119.914 -0.617 0.000 2.495 347 V HA 0.704 4.824 4.120 -0.000 0.000 0.298 347 V C -0.376 175.389 176.094 -0.547 0.000 1.031 347 V CA 0.017 61.707 62.300 -1.017 0.000 0.871 347 V CB 2.157 32.893 31.823 -1.811 0.000 0.988 347 V HN 0.939 nan 8.190 nan 0.000 0.432 348 T N 6.437 120.718 114.554 -0.455 0.000 2.823 348 T HA 0.702 5.052 4.350 -0.000 0.000 0.279 348 T C -0.420 174.124 174.700 -0.259 0.000 0.998 348 T CA -0.269 61.643 62.100 -0.313 0.000 0.994 348 T CB 1.462 70.195 68.868 -0.225 0.000 0.960 348 T HN 1.021 nan 8.240 nan 0.000 0.448 349 V N 0.367 120.150 119.914 -0.219 0.000 3.141 349 V HA 1.030 5.150 4.120 -0.000 0.000 0.312 349 V C -0.331 175.726 176.094 -0.062 0.000 1.157 349 V CA -0.923 61.303 62.300 -0.124 0.000 1.041 349 V CB 1.849 33.533 31.823 -0.232 0.000 1.071 349 V HN 1.043 nan 8.190 nan 0.000 0.441 350 T N -2.510 112.070 114.554 0.043 0.000 2.754 350 T HA 0.659 5.009 4.350 -0.000 0.000 0.296 350 T C -0.039 174.659 174.700 -0.004 0.000 1.205 350 T CA 0.504 62.619 62.100 0.026 0.000 1.009 350 T CB 1.516 70.420 68.868 0.060 0.000 1.368 350 T HN 1.669 nan 8.240 nan 0.000 0.509 351 D N 0.323 120.689 120.400 -0.056 0.000 3.608 351 D HA -0.270 4.370 4.640 -0.000 0.000 0.152 351 D C 1.307 177.523 176.300 -0.140 0.000 0.971 351 D CA 2.109 56.049 54.000 -0.101 0.000 1.072 351 D CB -1.045 39.734 40.800 -0.035 0.000 0.507 351 D HN 0.837 nan 8.370 nan 0.000 0.520 352 E N -0.303 119.839 120.200 -0.097 0.000 2.070 352 E HA -0.228 4.122 4.350 -0.000 0.000 0.197 352 E C 1.960 178.504 176.600 -0.094 0.000 1.004 352 E CA 1.403 57.740 56.400 -0.105 0.000 0.805 352 E CB -0.162 29.507 29.700 -0.051 0.000 0.744 352 E HN 0.345 nan 8.360 nan 0.000 0.451 353 E N 0.315 120.478 120.200 -0.062 0.000 2.077 353 E HA -0.115 4.235 4.350 -0.000 0.000 0.193 353 E C 2.247 178.797 176.600 -0.085 0.000 0.989 353 E CA 0.663 57.016 56.400 -0.078 0.000 0.800 353 E CB -0.185 29.436 29.700 -0.132 0.000 0.746 353 E HN 0.061 nan 8.360 nan 0.000 0.452 354 S N 0.625 116.274 115.700 -0.085 0.000 2.356 354 S HA -0.125 4.345 4.470 -0.000 0.000 0.223 354 S C 1.914 176.476 174.600 -0.064 0.000 1.032 354 S CA 0.992 59.163 58.200 -0.049 0.000 1.005 354 S CB -0.096 63.081 63.200 -0.039 0.000 0.867 354 S HN 0.240 nan 8.310 nan 0.000 0.449 355 R N 0.622 120.980 120.500 -0.237 0.000 2.115 355 R HA 0.029 4.369 4.340 -0.000 0.000 0.230 355 R C 2.577 178.840 176.300 -0.062 0.000 1.111 355 R CA 0.946 56.815 56.100 -0.385 0.000 0.976 355 R CB -0.188 29.626 30.300 -0.810 0.000 0.870 355 R HN 0.319 nan 8.270 nan 0.000 0.445 356 R N 1.129 121.604 120.500 -0.042 0.000 2.062 356 R HA -0.050 4.289 4.340 -0.000 0.000 0.229 356 R C 2.096 178.447 176.300 0.084 0.000 1.128 356 R CA 1.231 57.353 56.100 0.037 0.000 0.960 356 R CB -0.152 30.164 30.300 0.027 0.000 0.855 356 R HN 0.138 nan 8.270 nan 0.000 0.432 357 I N 1.025 121.636 120.570 0.067 0.000 2.315 357 I HA -0.211 3.959 4.170 -0.000 0.000 0.248 357 I C 2.001 178.196 176.117 0.130 0.000 1.117 357 I CA 1.317 62.676 61.300 0.099 0.000 1.404 357 I CB -0.227 37.816 38.000 0.071 0.000 1.071 357 I HN 0.322 nan 8.210 nan 0.000 0.419 358 E N 0.458 120.757 120.200 0.164 0.000 2.204 358 E HA -0.239 4.111 4.350 -0.000 0.000 0.195 358 E C 1.690 178.404 176.600 0.191 0.000 0.990 358 E CA 0.842 57.366 56.400 0.206 0.000 0.821 358 E CB -0.030 29.877 29.700 0.345 0.000 0.750 358 E HN 0.600 nan 8.360 nan 0.000 0.477 359 Q N 0.354 120.276 119.800 0.203 0.000 2.365 359 Q HA -0.009 4.331 4.340 -0.000 0.000 0.203 359 Q C 0.476 176.548 176.000 0.119 0.000 0.929 359 Q CA 0.116 56.021 55.803 0.169 0.000 0.948 359 Q CB 0.279 29.136 28.738 0.198 0.000 1.043 359 Q HN 0.307 nan 8.270 nan 0.000 0.505 360 Q N -0.930 118.937 119.800 0.112 0.000 2.552 360 Q HA 0.533 4.872 4.340 -0.000 0.000 0.289 360 Q C -0.500 175.552 176.000 0.087 0.000 1.097 360 Q CA -0.926 54.934 55.803 0.095 0.000 0.812 360 Q CB 1.143 29.942 28.738 0.102 0.000 1.460 360 Q HN 0.006 nan 8.270 nan 0.000 0.452 361 S N -0.216 115.529 115.700 0.076 0.000 2.600 361 S HA 0.080 4.550 4.470 -0.000 0.000 0.265 361 S C 0.008 174.653 174.600 0.074 0.000 1.325 361 S CA -0.007 58.234 58.200 0.068 0.000 1.002 361 S CB 0.658 63.892 63.200 0.057 0.000 0.921 361 S HN 0.644 nan 8.310 nan 0.000 0.554 362 D N 0.623 121.063 120.400 0.067 0.000 2.144 362 D HA -0.096 4.544 4.640 -0.000 0.000 0.200 362 D C 1.812 178.151 176.300 0.065 0.000 0.978 362 D CA 1.539 55.581 54.000 0.069 0.000 0.833 362 D CB -0.335 40.504 40.800 0.066 0.000 0.961 362 D HN 0.875 nan 8.370 nan 0.000 0.470 363 E N 0.687 120.922 120.200 0.058 0.000 2.051 363 E HA -0.242 4.108 4.350 -0.000 0.000 0.192 363 E C 1.804 178.439 176.600 0.059 0.000 0.991 363 E CA 1.053 57.484 56.400 0.053 0.000 0.799 363 E CB 0.039 29.767 29.700 0.047 0.000 0.748 363 E HN 0.337 nan 8.360 nan 0.000 0.449 364 Q N -0.223 119.618 119.800 0.068 0.000 2.084 364 Q HA -0.128 4.212 4.340 -0.000 0.000 0.202 364 Q C 2.286 178.343 176.000 0.094 0.000 0.978 364 Q CA 2.001 57.852 55.803 0.080 0.000 0.844 364 Q CB -0.145 28.645 28.738 0.086 0.000 0.898 364 Q HN 0.289 nan 8.270 nan 0.000 0.426 365 T N 1.129 115.743 114.554 0.099 0.000 2.821 365 T HA -0.149 4.201 4.350 -0.000 0.000 0.267 365 T C 1.715 176.439 174.700 0.041 0.000 1.046 365 T CA 1.366 63.535 62.100 0.114 0.000 1.139 365 T CB -0.101 68.842 68.868 0.126 0.000 0.871 365 T HN 0.234 nan 8.240 nan 0.000 0.454 366 K N 1.109 121.534 120.400 0.041 0.000 2.057 366 K HA -0.016 4.304 4.320 -0.000 0.000 0.207 366 K C 2.426 179.036 176.600 0.016 0.000 1.049 366 K CA 1.213 57.513 56.287 0.021 0.000 0.931 366 K CB -0.299 32.223 32.500 0.037 0.000 0.714 366 K HN 0.268 nan 8.250 nan 0.000 0.440 367 A N 1.101 123.943 122.820 0.036 0.000 1.930 367 A HA -0.176 4.144 4.320 -0.000 0.000 0.217 367 A C 1.819 179.423 177.584 0.033 0.000 1.175 367 A CA 1.657 53.719 52.037 0.041 0.000 0.627 367 A CB -0.444 18.588 19.000 0.054 0.000 0.815 367 A HN 0.474 nan 8.150 nan 0.000 0.443 368 E N -0.317 119.907 120.200 0.040 0.000 2.077 368 E HA -0.152 4.198 4.350 -0.000 0.000 0.193 368 E C 1.822 178.334 176.600 -0.146 0.000 0.989 368 E CA 1.258 57.691 56.400 0.054 0.000 0.800 368 E CB -0.281 29.536 29.700 0.195 0.000 0.746 368 E HN 0.696 nan 8.360 nan 0.000 0.452 369 I N 0.615 120.996 120.570 -0.314 0.000 2.315 369 I HA -0.247 3.923 4.170 -0.000 0.000 0.248 369 I C 2.215 178.283 176.117 -0.082 0.000 1.117 369 I CA 0.579 61.649 61.300 -0.383 0.000 1.404 369 I CB -0.087 37.725 38.000 -0.312 0.000 1.071 369 I HN 0.178 nan 8.210 nan 0.000 0.419 370 M N -0.195 119.404 119.600 -0.002 0.000 2.159 370 M HA -0.225 4.255 4.480 -0.000 0.000 0.263 370 M C 2.222 178.521 176.300 -0.002 0.000 1.063 370 M CA 1.675 57.001 55.300 0.044 0.000 1.110 370 M CB -1.184 31.453 32.600 0.061 0.000 1.374 370 M HN 0.306 nan 8.290 nan 0.000 0.411 371 Q N -0.618 119.183 119.800 0.002 0.000 2.124 371 Q HA -0.118 4.222 4.340 -0.000 0.000 0.202 371 Q C 2.216 178.208 176.000 -0.014 0.000 0.977 371 Q CA 1.291 57.104 55.803 0.018 0.000 0.850 371 Q CB 0.017 28.798 28.738 0.071 0.000 0.901 371 Q HN 0.317 nan 8.270 nan 0.000 0.429 372 V N 0.842 120.720 119.914 -0.060 0.000 2.307 372 V HA -0.258 3.862 4.120 -0.000 0.000 0.245 372 V C 2.171 178.088 176.094 -0.295 0.000 1.045 372 V CA 1.445 63.617 62.300 -0.215 0.000 1.024 372 V CB -0.428 31.220 31.823 -0.291 0.000 0.651 372 V HN 0.356 nan 8.190 nan 0.000 0.449 373 L N -0.585 120.528 121.223 -0.182 0.000 2.079 373 L HA -0.217 4.123 4.340 -0.000 0.000 0.210 373 L C 2.753 179.581 176.870 -0.070 0.000 1.081 373 L CA 1.722 56.483 54.840 -0.131 0.000 0.752 373 L CB -0.557 41.492 42.059 -0.016 0.000 0.896 373 L HN 0.238 nan 8.230 nan 0.000 0.433 374 R N -0.102 120.345 120.500 -0.088 0.000 2.096 374 R HA -0.152 4.188 4.340 -0.000 0.000 0.235 374 R C 2.276 178.549 176.300 -0.046 0.000 1.127 374 R CA 1.205 57.266 56.100 -0.067 0.000 0.968 374 R CB -0.124 30.144 30.300 -0.053 0.000 0.861 374 R HN 0.322 nan 8.270 nan 0.000 0.440 375 K N -0.123 120.240 120.400 -0.062 0.000 2.155 375 K HA -0.028 4.292 4.320 -0.000 0.000 0.203 375 K C 1.961 178.524 176.600 -0.061 0.000 1.052 375 K CA 1.107 57.381 56.287 -0.021 0.000 0.948 375 K CB 0.077 32.605 32.500 0.048 0.000 0.728 375 K HN 0.153 nan 8.250 nan 0.000 0.448 376 M N -0.714 118.753 119.600 -0.222 0.000 2.288 376 M HA -0.018 4.462 4.480 -0.000 0.000 0.266 376 M C 0.135 176.071 176.300 -0.606 0.000 1.072 376 M CA 1.300 56.326 55.300 -0.457 0.000 1.132 376 M CB 0.397 32.404 32.600 -0.988 0.000 1.386 376 M HN -0.045 nan 8.290 nan 0.000 0.432 377 F N -0.178 119.741 119.950 -0.052 0.000 2.597 377 F HA 0.281 4.808 4.527 -0.000 0.000 0.336 377 F C -1.633 174.140 175.800 -0.044 0.000 1.432 377 F CA -1.805 56.185 58.000 -0.017 0.000 1.120 377 F CB 0.113 39.094 39.000 -0.031 0.000 1.253 377 F HN -0.054 nan 8.300 nan 0.000 0.546 378 P HA -0.151 nan 4.420 nan 0.000 0.218 378 P C 1.708 179.033 177.300 0.042 0.000 1.148 378 P CA 1.395 64.517 63.100 0.037 0.000 0.822 378 P CB 0.216 31.927 31.700 0.018 0.000 0.784 379 G N -0.335 108.508 108.800 0.071 0.000 2.679 379 G HA2 -0.074 3.886 3.960 -0.000 0.000 0.212 379 G HA3 -0.074 3.886 3.960 -0.000 0.000 0.212 379 G C 0.740 175.662 174.900 0.036 0.000 1.137 379 G CA 0.165 45.294 45.100 0.049 0.000 0.787 379 G HN 0.289 nan 8.290 nan 0.000 0.534 380 K N 0.349 120.775 120.400 0.044 0.000 2.211 380 K HA 0.315 4.635 4.320 -0.000 0.000 0.237 380 K C -1.452 175.110 176.600 -0.064 0.000 1.002 380 K CA -0.883 55.397 56.287 -0.012 0.000 0.885 380 K CB 1.317 33.806 32.500 -0.018 0.000 1.136 380 K HN -0.151 nan 8.250 nan 0.000 0.448 381 D N 1.638 121.989 120.400 -0.081 0.000 2.396 381 D HA 0.168 4.808 4.640 -0.000 0.000 0.225 381 D C -1.035 175.163 176.300 -0.170 0.000 1.121 381 D CA -0.515 53.431 54.000 -0.090 0.000 0.853 381 D CB 0.795 41.563 40.800 -0.054 0.000 1.043 381 D HN 0.069 nan 8.370 nan 0.000 0.500 382 V N 7.131 126.888 119.914 -0.262 0.000 2.385 382 V HA 0.284 4.404 4.120 -0.000 0.000 0.269 382 V C -1.709 174.228 176.094 -0.261 0.000 1.043 382 V CA -1.231 60.752 62.300 -0.528 0.000 0.906 382 V CB 1.195 32.606 31.823 -0.685 0.000 0.995 382 V HN 0.502 nan 8.190 nan 0.000 0.467 383 P HA 0.158 nan 4.420 nan 0.000 0.278 383 P C -0.346 177.076 177.300 0.203 0.000 1.238 383 P CA -0.444 62.703 63.100 0.078 0.000 0.794 383 P CB 0.875 32.687 31.700 0.187 0.000 0.955 384 D N 0.688 121.186 120.400 0.162 0.000 2.423 384 D HA 0.159 4.799 4.640 -0.000 0.000 0.238 384 D C 0.142 176.572 176.300 0.215 0.000 1.142 384 D CA 0.215 54.320 54.000 0.175 0.000 0.884 384 D CB 1.035 41.890 40.800 0.092 0.000 1.199 384 D HN 0.370 nan 8.370 nan 0.000 0.438 385 A N 2.733 125.617 122.820 0.108 0.000 2.462 385 A HA 0.133 4.453 4.320 -0.000 0.000 0.243 385 A C 1.300 178.819 177.584 -0.108 0.000 1.076 385 A CA -0.070 51.801 52.037 -0.277 0.000 0.773 385 A CB 0.733 19.397 19.000 -0.559 0.000 1.010 385 A HN 0.645 nan 8.150 nan 0.000 0.493 386 T N 0.438 114.920 114.554 -0.120 0.000 2.942 386 T HA 0.037 4.387 4.350 -0.000 0.000 0.265 386 T C 0.212 174.875 174.700 -0.062 0.000 1.062 386 T CA 1.745 63.811 62.100 -0.057 0.000 1.139 386 T CB -0.136 68.703 68.868 -0.048 0.000 0.883 386 T HN 0.789 nan 8.240 nan 0.000 0.468 387 D N -0.950 119.406 120.400 -0.074 0.000 2.602 387 D HA 0.560 5.200 4.640 -0.000 0.000 0.236 387 D C -1.605 174.837 176.300 0.237 0.000 1.209 387 D CA -0.591 53.424 54.000 0.024 0.000 0.831 387 D CB 1.918 42.632 40.800 -0.143 0.000 1.478 387 D HN 0.111 nan 8.370 nan 0.000 0.438 388 I N 1.673 122.434 120.570 0.318 0.000 2.802 388 I HA 0.585 4.754 4.170 -0.000 0.000 0.298 388 I C -2.112 174.139 176.117 0.223 0.000 1.176 388 I CA -0.982 60.476 61.300 0.264 0.000 1.025 388 I CB 1.988 40.055 38.000 0.111 0.000 1.243 388 I HN 0.323 nan 8.210 nan 0.000 0.424 389 L N 7.942 129.166 121.223 0.002 0.000 2.439 389 L HA 0.601 4.941 4.340 -0.000 0.000 0.270 389 L C -1.747 175.142 176.870 0.031 0.000 0.972 389 L CA -0.391 54.438 54.840 -0.018 0.000 0.836 389 L CB 1.752 43.636 42.059 -0.292 0.000 1.255 389 L HN 0.305 nan 8.230 nan 0.000 0.404 390 V N 6.776 126.724 119.914 0.057 0.000 2.284 390 V HA 0.458 4.578 4.120 -0.000 0.000 0.274 390 V C -2.063 174.072 176.094 0.069 0.000 1.023 390 V CA -1.308 61.037 62.300 0.075 0.000 0.808 390 V CB 1.055 32.924 31.823 0.077 0.000 1.035 390 V HN 0.717 nan 8.190 nan 0.000 0.445 391 P HA 0.262 nan 4.420 nan 0.000 0.267 391 P C -0.135 177.182 177.300 0.028 0.000 1.205 391 P CA -0.052 63.057 63.100 0.014 0.000 0.765 391 P CB 0.418 32.225 31.700 0.179 0.000 0.828 392 R N 2.444 122.892 120.500 -0.086 0.000 3.463 392 R HA 0.163 4.503 4.340 -0.000 0.000 0.303 392 R C 0.346 176.692 176.300 0.076 0.000 1.370 392 R CA -0.125 56.003 56.100 0.046 0.000 1.524 392 R CB -0.128 30.192 30.300 0.033 0.000 1.389 392 R HN 0.624 nan 8.270 nan 0.000 0.640 393 W N -0.399 121.002 121.300 0.168 0.000 2.363 393 W HA -0.191 4.469 4.660 -0.000 0.000 0.296 393 W C 1.839 178.503 176.519 0.241 0.000 1.212 393 W CA 0.426 57.877 57.345 0.176 0.000 1.260 393 W CB -0.101 29.450 29.460 0.150 0.000 1.131 393 W HN 0.536 nan 8.180 nan 0.000 0.530 394 W N 0.812 122.286 121.300 0.290 0.000 2.402 394 W HA -0.120 4.540 4.660 -0.000 0.000 0.286 394 W C 2.068 178.664 176.519 0.129 0.000 1.221 394 W CA 1.885 59.338 57.345 0.181 0.000 1.257 394 W CB -0.616 28.917 29.460 0.122 0.000 1.120 394 W HN -0.349 nan 8.180 nan 0.000 0.551 395 S N -0.197 115.507 115.700 0.006 0.000 2.489 395 S HA -0.109 4.361 4.470 -0.000 0.000 0.228 395 S C 0.264 174.752 174.600 -0.187 0.000 0.995 395 S CA 0.576 58.609 58.200 -0.279 0.000 0.934 395 S CB -0.453 62.672 63.200 -0.126 0.000 0.771 395 S HN 0.170 nan 8.310 nan 0.000 0.522 396 D N 2.040 122.422 120.400 -0.030 0.000 2.339 396 D HA 0.044 4.684 4.640 -0.000 0.000 0.256 396 D C 1.246 177.490 176.300 -0.094 0.000 1.214 396 D CA -0.390 53.587 54.000 -0.038 0.000 0.877 396 D CB 0.737 41.640 40.800 0.172 0.000 1.111 396 D HN 0.303 nan 8.370 nan 0.000 0.478 397 R N 3.161 123.459 120.500 -0.336 0.000 2.241 397 R HA -0.105 4.235 4.340 -0.000 0.000 0.224 397 R C 1.143 177.267 176.300 -0.293 0.000 1.101 397 R CA 1.143 57.030 56.100 -0.354 0.000 0.995 397 R CB -0.431 29.606 30.300 -0.438 0.000 0.870 397 R HN 0.376 nan 8.270 nan 0.000 0.463 398 F N -1.023 118.867 119.950 -0.101 0.000 2.797 398 F HA 0.198 4.725 4.527 -0.000 0.000 0.302 398 F C 0.668 175.981 175.800 -0.811 0.000 1.130 398 F CA -0.137 57.616 58.000 -0.412 0.000 1.387 398 F CB 0.332 39.027 39.000 -0.507 0.000 1.107 398 F HN -0.050 nan 8.300 nan 0.000 0.577 399 Y N -1.927 118.522 120.300 0.248 0.000 2.844 399 Y HA 0.157 4.707 4.550 -0.000 0.000 0.256 399 Y C 0.867 176.883 175.900 0.193 0.000 1.134 399 Y CA -0.725 57.538 58.100 0.271 0.000 1.209 399 Y CB 0.178 38.928 38.460 0.482 0.000 1.418 399 Y HN -0.385 nan 8.280 nan 0.000 0.459 400 K N 1.138 121.722 120.400 0.307 0.000 3.069 400 K HA -0.130 4.190 4.320 -0.000 0.000 0.267 400 K C 0.141 176.948 176.600 0.345 0.000 1.082 400 K CA 1.122 57.538 56.287 0.214 0.000 0.782 400 K CB -1.727 30.841 32.500 0.115 0.000 1.230 400 K HN 0.821 nan 8.250 nan 0.000 0.488 401 G N -2.417 106.621 108.800 0.397 0.000 2.362 401 G HA2 0.180 4.140 3.960 -0.000 0.000 0.288 401 G HA3 0.180 4.140 3.960 -0.000 0.000 0.288 401 G C 0.327 175.310 174.900 0.137 0.000 1.305 401 G CA 0.509 45.771 45.100 0.270 0.000 0.910 401 G HN 0.224 nan 8.290 nan 0.000 0.518 402 T N -2.756 111.727 114.554 -0.118 0.000 2.989 402 T HA 0.624 4.973 4.350 -0.000 0.000 0.250 402 T C 0.292 174.916 174.700 -0.128 0.000 0.981 402 T CA 1.437 63.355 62.100 -0.303 0.000 0.980 402 T CB 0.221 68.832 68.868 -0.429 0.000 1.133 402 T HN 1.937 nan 8.240 nan 0.000 0.489 403 F N 0.793 120.708 119.950 -0.058 0.000 2.746 403 F HA 0.723 5.250 4.527 -0.000 0.000 0.311 403 F C -0.414 175.402 175.800 0.025 0.000 1.135 403 F CA -1.587 56.384 58.000 -0.048 0.000 0.954 403 F CB 0.460 39.363 39.000 -0.160 0.000 1.276 403 F HN 0.121 nan 8.300 nan 0.000 0.440 404 S N 1.291 117.195 115.700 0.340 0.000 2.608 404 S HA 0.613 5.083 4.470 -0.000 0.000 0.261 404 S C -0.659 174.127 174.600 0.309 0.000 1.314 404 S CA -0.180 58.210 58.200 0.317 0.000 0.992 404 S CB 1.336 64.858 63.200 0.537 0.000 0.935 404 S HN 0.979 nan 8.310 nan 0.000 0.564 405 N N -0.574 118.177 118.700 0.085 0.000 2.308 405 N HA 0.265 5.005 4.740 -0.000 0.000 0.283 405 N C -2.142 173.099 175.510 -0.448 0.000 1.105 405 N CA -0.597 52.454 53.050 0.001 0.000 0.840 405 N CB 1.188 39.696 38.487 0.035 0.000 1.633 405 N HN 0.793 nan 8.380 nan 0.000 0.476 406 W N 6.131 127.110 121.300 -0.535 0.000 2.342 406 W HA 0.479 5.139 4.660 -0.000 0.000 0.310 406 W C -2.611 173.614 176.519 -0.490 0.000 1.128 406 W CA -1.905 55.007 57.345 -0.723 0.000 1.322 406 W CB 0.619 29.921 29.460 -0.262 0.000 1.251 406 W HN 0.411 nan 8.180 nan 0.000 0.439 407 P HA 0.089 nan 4.420 nan 0.000 0.287 407 P C -0.563 176.796 177.300 0.099 0.000 1.270 407 P CA -0.376 62.692 63.100 -0.054 0.000 0.844 407 P CB 2.499 34.115 31.700 -0.140 0.000 1.068 408 V N 2.058 121.987 119.914 0.024 0.000 2.673 408 V HA 0.358 4.478 4.120 -0.000 0.000 0.303 408 V C 1.302 177.436 176.094 0.065 0.000 1.046 408 V CA 2.121 64.442 62.300 0.034 0.000 1.126 408 V CB -0.431 31.382 31.823 -0.016 0.000 0.934 408 V HN 1.040 nan 8.190 nan 0.000 0.487 409 G N 4.368 113.227 108.800 0.099 0.000 2.436 409 G HA2 -0.172 3.788 3.960 -0.000 0.000 0.204 409 G HA3 -0.172 3.788 3.960 -0.000 0.000 0.204 409 G C -0.012 174.982 174.900 0.157 0.000 1.026 409 G CA -0.047 45.113 45.100 0.099 0.000 0.658 409 G HN 1.261 nan 8.290 nan 0.000 0.499 410 V N 3.728 123.782 119.914 0.234 0.000 2.432 410 V HA 0.549 4.669 4.120 -0.000 0.000 0.275 410 V C 0.454 176.834 176.094 0.476 0.000 1.043 410 V CA -0.235 62.240 62.300 0.291 0.000 0.925 410 V CB 1.172 33.128 31.823 0.222 0.000 0.985 410 V HN 0.727 nan 8.190 nan 0.000 0.466 411 N N 4.921 123.847 118.700 0.377 0.000 2.538 411 N HA 0.290 5.030 4.740 -0.000 0.000 0.292 411 N C 0.912 176.745 175.510 0.537 0.000 1.262 411 N CA -0.946 52.362 53.050 0.430 0.000 0.976 411 N CB 0.442 39.093 38.487 0.274 0.000 1.161 411 N HN 0.330 nan 8.380 nan 0.000 0.598 412 R N -0.884 119.915 120.500 0.498 0.000 2.081 412 R HA -0.136 4.204 4.340 -0.000 0.000 0.235 412 R C 1.963 178.465 176.300 0.336 0.000 1.131 412 R CA 1.382 57.786 56.100 0.508 0.000 0.960 412 R CB -1.405 29.103 30.300 0.347 0.000 0.856 412 R HN 0.709 nan 8.270 nan 0.000 0.436 413 Y N 0.881 121.276 120.300 0.158 0.000 2.145 413 Y HA -0.185 4.365 4.550 -0.000 0.000 0.286 413 Y C 2.184 178.110 175.900 0.044 0.000 1.145 413 Y CA 2.341 60.483 58.100 0.070 0.000 1.148 413 Y CB -0.252 38.235 38.460 0.045 0.000 0.981 413 Y HN 0.383 nan 8.280 nan 0.000 0.507 414 E N -1.153 119.186 120.200 0.231 0.000 2.152 414 E HA -0.257 4.093 4.350 -0.000 0.000 0.192 414 E C 2.018 178.579 176.600 -0.065 0.000 0.983 414 E CA 1.170 57.621 56.400 0.085 0.000 0.818 414 E CB -0.627 29.180 29.700 0.178 0.000 0.758 414 E HN 0.638 nan 8.360 nan 0.000 0.467 415 Y N 1.453 121.630 120.300 -0.204 0.000 2.200 415 Y HA -0.176 4.374 4.550 -0.000 0.000 0.290 415 Y C 1.533 177.178 175.900 -0.425 0.000 1.137 415 Y CA 2.049 59.839 58.100 -0.516 0.000 1.163 415 Y CB -0.239 37.706 38.460 -0.859 0.000 0.988 415 Y HN 0.066 nan 8.280 nan 0.000 0.518 416 D N 0.147 120.333 120.400 -0.357 0.000 2.221 416 D HA -0.195 4.444 4.640 -0.000 0.000 0.204 416 D C 1.937 177.969 176.300 -0.447 0.000 0.982 416 D CA 1.341 55.075 54.000 -0.443 0.000 0.857 416 D CB -0.335 40.301 40.800 -0.272 0.000 0.934 416 D HN 0.562 nan 8.370 nan 0.000 0.475 417 Q N -0.186 119.372 119.800 -0.403 0.000 2.368 417 Q HA -0.074 4.266 4.340 -0.000 0.000 0.210 417 Q C 2.194 178.064 176.000 -0.215 0.000 0.982 417 Q CA 0.369 56.034 55.803 -0.231 0.000 0.884 417 Q CB 0.012 28.706 28.738 -0.073 0.000 0.933 417 Q HN 0.370 nan 8.270 nan 0.000 0.460 418 L N -0.268 120.694 121.223 -0.434 0.000 2.141 418 L HA -0.155 4.185 4.340 -0.000 0.000 0.209 418 L C 2.491 179.085 176.870 -0.459 0.000 1.094 418 L CA 0.979 55.514 54.840 -0.508 0.000 0.763 418 L CB -0.193 41.467 42.059 -0.666 0.000 0.908 418 L HN 0.156 nan 8.230 nan 0.000 0.437 419 R N 0.541 120.790 120.500 -0.418 0.000 2.200 419 R HA 0.084 4.424 4.340 -0.000 0.000 0.208 419 R C 0.937 177.179 176.300 -0.096 0.000 1.033 419 R CA 0.442 56.385 56.100 -0.261 0.000 1.000 419 R CB 0.103 30.226 30.300 -0.296 0.000 0.906 419 R HN 0.214 nan 8.270 nan 0.000 0.462 420 A N 3.061 125.821 122.820 -0.099 0.000 2.520 420 A HA 0.223 4.543 4.320 -0.000 0.000 0.245 420 A C -2.170 175.479 177.584 0.109 0.000 1.072 420 A CA -1.187 50.850 52.037 0.001 0.000 0.761 420 A CB 0.030 19.052 19.000 0.036 0.000 1.004 420 A HN 0.237 nan 8.150 nan 0.000 0.499 421 P HA 0.306 nan 4.420 nan 0.000 0.274 421 P C -0.752 176.520 177.300 -0.047 0.000 1.256 421 P CA -0.281 62.698 63.100 -0.202 0.000 0.795 421 P CB 0.863 32.017 31.700 -0.912 0.000 1.038 422 V N 0.868 120.697 119.914 -0.141 0.000 2.357 422 V HA 0.476 4.596 4.120 -0.000 0.000 0.281 422 V C 1.073 177.072 176.094 -0.159 0.000 1.015 422 V CA 0.599 62.849 62.300 -0.083 0.000 0.827 422 V CB 0.043 31.754 31.823 -0.186 0.000 1.018 422 V HN 1.096 nan 8.190 nan 0.000 0.432 423 G N 5.804 114.581 108.800 -0.039 0.000 2.596 423 G HA2 -0.329 3.631 3.960 -0.000 0.000 0.304 423 G HA3 -0.329 3.631 3.960 -0.000 0.000 0.304 423 G C 0.763 175.653 174.900 -0.017 0.000 1.189 423 G CA 0.794 45.911 45.100 0.029 0.000 0.986 423 G HN 0.608 nan 8.290 nan 0.000 0.548 424 R N -0.290 120.242 120.500 0.053 0.000 2.334 424 R HA 0.374 4.714 4.340 -0.000 0.000 0.220 424 R C 0.210 176.612 176.300 0.170 0.000 0.917 424 R CA 0.158 56.387 56.100 0.215 0.000 1.073 424 R CB 0.483 30.818 30.300 0.060 0.000 1.056 424 R HN 0.238 nan 8.270 nan 0.000 0.506 425 V N 2.011 121.818 119.914 -0.179 0.000 2.348 425 V HA 0.174 4.294 4.120 -0.000 0.000 0.270 425 V C -0.537 175.261 176.094 -0.492 0.000 1.037 425 V CA -0.436 61.678 62.300 -0.311 0.000 0.872 425 V CB 0.201 31.706 31.823 -0.529 0.000 1.002 425 V HN 0.058 nan 8.190 nan 0.000 0.464 426 Y N 4.291 124.364 120.300 -0.378 0.000 2.453 426 Y HA 0.700 5.250 4.550 -0.000 0.000 0.326 426 Y C -0.140 175.385 175.900 -0.626 0.000 1.186 426 Y CA -0.770 57.131 58.100 -0.331 0.000 1.200 426 Y CB 1.530 39.893 38.460 -0.161 0.000 1.247 426 Y HN 0.481 nan 8.280 nan 0.000 0.482 427 F N -0.081 119.892 119.950 0.039 0.000 2.546 427 F HA 0.669 5.195 4.527 -0.000 0.000 0.320 427 F C 0.267 176.033 175.800 -0.057 0.000 1.076 427 F CA -0.636 57.353 58.000 -0.018 0.000 0.928 427 F CB 2.395 41.346 39.000 -0.082 0.000 1.189 427 F HN 0.350 nan 8.300 nan 0.000 0.465 428 T N 0.116 114.728 114.554 0.097 0.000 2.731 428 T HA 0.791 5.141 4.350 -0.000 0.000 0.300 428 T C -0.749 173.874 174.700 -0.127 0.000 1.283 428 T CA 0.030 62.106 62.100 -0.041 0.000 1.005 428 T CB 1.556 70.404 68.868 -0.034 0.000 1.420 428 T HN 1.449 nan 8.240 nan 0.000 0.503 429 G N 1.192 109.897 108.800 -0.160 0.000 2.392 429 G HA2 0.104 4.064 3.960 -0.000 0.000 0.677 429 G HA3 0.104 4.064 3.960 -0.000 0.000 0.677 429 G C 0.216 174.997 174.900 -0.200 0.000 1.334 429 G CA 0.764 45.783 45.100 -0.135 0.000 0.961 429 G HN 1.043 nan 8.290 nan 0.000 0.616 430 E N -0.507 119.710 120.200 0.029 0.000 2.171 430 E HA -0.234 4.116 4.350 -0.000 0.000 0.197 430 E C 1.707 178.364 176.600 0.094 0.000 0.997 430 E CA 2.625 59.079 56.400 0.090 0.000 0.810 430 E CB -0.719 29.063 29.700 0.137 0.000 0.738 430 E HN 1.091 nan 8.360 nan 0.000 0.467 431 H N -0.675 118.444 119.070 0.082 0.000 2.563 431 H HA 0.154 4.710 4.556 -0.000 0.000 0.272 431 H C 1.250 176.497 175.328 -0.134 0.000 1.005 431 H CA 1.160 57.232 56.048 0.040 0.000 1.171 431 H CB -0.209 29.546 29.762 -0.013 0.000 1.351 431 H HN 0.347 nan 8.280 nan 0.000 0.602 432 T N -2.876 111.397 114.554 -0.467 0.000 3.044 432 T HA 0.097 4.447 4.350 -0.000 0.000 0.260 432 T C 0.836 175.407 174.700 -0.215 0.000 1.019 432 T CA -0.138 61.687 62.100 -0.458 0.000 0.921 432 T CB -0.127 68.494 68.868 -0.411 0.000 1.053 432 T HN 0.259 nan 8.240 nan 0.000 0.533 433 S N 1.426 117.122 115.700 -0.007 0.000 2.515 433 S HA 0.096 4.566 4.470 -0.000 0.000 0.285 433 S C 1.335 176.022 174.600 0.145 0.000 1.265 433 S CA -0.219 58.047 58.200 0.111 0.000 1.079 433 S CB 0.930 64.270 63.200 0.234 0.000 0.877 433 S HN 0.541 nan 8.310 nan 0.000 0.493 434 E N 3.411 123.620 120.200 0.015 0.000 2.097 434 E HA -0.196 4.154 4.350 -0.000 0.000 0.196 434 E C 0.892 177.253 176.600 -0.398 0.000 1.000 434 E CA 1.896 58.207 56.400 -0.148 0.000 0.804 434 E CB 0.027 29.557 29.700 -0.282 0.000 0.740 434 E HN 0.881 nan 8.360 nan 0.000 0.454 435 H N -2.680 116.289 119.070 -0.168 0.000 3.230 435 H HA 0.143 4.699 4.556 -0.000 0.000 0.259 435 H C -0.382 174.622 175.328 -0.539 0.000 1.195 435 H CA 0.021 55.821 56.048 -0.413 0.000 1.112 435 H CB 0.436 29.717 29.762 -0.802 0.000 1.638 435 H HN 0.212 nan 8.280 nan 0.000 0.624 436 Y N 1.448 121.939 120.300 0.318 0.000 2.672 436 Y HA 0.098 4.648 4.550 -0.000 0.000 0.272 436 Y C 0.533 176.635 175.900 0.336 0.000 1.055 436 Y CA -1.089 57.210 58.100 0.332 0.000 1.151 436 Y CB -0.077 38.609 38.460 0.376 0.000 1.190 436 Y HN 0.148 nan 8.280 nan 0.000 0.574 437 N N -0.005 118.929 118.700 0.390 0.000 2.395 437 N HA 0.314 5.053 4.740 -0.000 0.000 0.246 437 N C 1.262 176.937 175.510 0.275 0.000 1.246 437 N CA 1.009 54.265 53.050 0.344 0.000 0.879 437 N CB 0.786 39.494 38.487 0.368 0.000 1.098 437 N HN 0.442 nan 8.380 nan 0.000 0.444 438 G N -0.691 108.166 108.800 0.094 0.000 2.175 438 G HA2 -0.256 3.704 3.960 -0.000 0.000 0.244 438 G HA3 -0.256 3.704 3.960 -0.000 0.000 0.244 438 G C -0.666 173.727 174.900 -0.845 0.000 0.982 438 G CA 0.271 45.194 45.100 -0.295 0.000 0.641 438 G HN 0.640 nan 8.290 nan 0.000 0.527 439 Y N -1.658 118.527 120.300 -0.192 0.000 2.598 439 Y HA 0.575 5.125 4.550 -0.000 0.000 0.340 439 Y C 1.499 177.219 175.900 -0.300 0.000 1.038 439 Y CA -0.486 57.389 58.100 -0.375 0.000 1.100 439 Y CB 1.594 39.572 38.460 -0.803 0.000 1.281 439 Y HN -0.094 nan 8.280 nan 0.000 0.488 440 V N 1.096 120.969 119.914 -0.068 0.000 2.343 440 V HA -0.295 3.825 4.120 -0.000 0.000 0.247 440 V C 2.268 178.388 176.094 0.043 0.000 1.051 440 V CA 2.464 64.747 62.300 -0.030 0.000 1.036 440 V CB -0.766 31.027 31.823 -0.048 0.000 0.654 440 V HN 0.919 nan 8.190 nan 0.000 0.451 441 H N -0.146 119.003 119.070 0.131 0.000 2.457 441 H HA -0.006 4.550 4.556 -0.000 0.000 0.294 441 H C 2.342 177.806 175.328 0.227 0.000 1.064 441 H CA 1.512 57.619 56.048 0.098 0.000 1.330 441 H CB -0.718 28.974 29.762 -0.118 0.000 1.395 441 H HN 0.406 nan 8.280 nan 0.000 0.541 442 G N 1.023 109.837 108.800 0.022 0.000 2.402 442 G HA2 -0.132 3.828 3.960 -0.000 0.000 0.216 442 G HA3 -0.132 3.828 3.960 -0.000 0.000 0.216 442 G C 2.038 177.052 174.900 0.191 0.000 1.162 442 G CA 1.309 46.566 45.100 0.262 0.000 0.777 442 G HN 0.612 nan 8.290 nan 0.000 0.539 443 A N 0.131 123.028 122.820 0.128 0.000 1.902 443 A HA -0.065 4.255 4.320 -0.000 0.000 0.217 443 A C 2.182 179.845 177.584 0.132 0.000 1.181 443 A CA 1.775 53.876 52.037 0.106 0.000 0.623 443 A CB -0.741 18.313 19.000 0.090 0.000 0.818 443 A HN 0.483 nan 8.150 nan 0.000 0.443 444 Y N 0.612 120.949 120.300 0.062 0.000 2.070 444 Y HA -0.201 4.349 4.550 -0.000 0.000 0.280 444 Y C 1.960 177.906 175.900 0.078 0.000 1.148 444 Y CA 2.116 60.256 58.100 0.067 0.000 1.125 444 Y CB -0.443 38.063 38.460 0.077 0.000 0.975 444 Y HN 0.202 nan 8.280 nan 0.000 0.492 445 L N 0.066 121.353 121.223 0.106 0.000 2.201 445 L HA -0.184 4.156 4.340 -0.000 0.000 0.212 445 L C 2.730 179.592 176.870 -0.013 0.000 1.105 445 L CA 1.382 56.230 54.840 0.014 0.000 0.775 445 L CB -0.859 41.366 42.059 0.277 0.000 0.913 445 L HN 0.411 nan 8.230 nan 0.000 0.440 446 S N -0.046 115.673 115.700 0.030 0.000 2.383 446 S HA -0.116 4.354 4.470 -0.000 0.000 0.227 446 S C 2.088 176.648 174.600 -0.067 0.000 1.026 446 S CA 1.002 59.195 58.200 -0.011 0.000 0.981 446 S CB -0.863 62.324 63.200 -0.021 0.000 0.818 446 S HN 0.414 nan 8.310 nan 0.000 0.472 447 G N 1.689 110.431 108.800 -0.096 0.000 2.402 447 G HA2 -0.017 3.943 3.960 -0.000 0.000 0.216 447 G HA3 -0.017 3.943 3.960 -0.000 0.000 0.216 447 G C 1.432 176.237 174.900 -0.158 0.000 1.162 447 G CA 0.879 45.907 45.100 -0.119 0.000 0.777 447 G HN 0.563 nan 8.290 nan 0.000 0.539 448 I N 0.982 121.424 120.570 -0.213 0.000 2.202 448 I HA -0.116 4.054 4.170 -0.000 0.000 0.242 448 I C 2.293 178.337 176.117 -0.123 0.000 1.091 448 I CA 1.151 62.334 61.300 -0.195 0.000 1.368 448 I CB -0.138 37.715 38.000 -0.245 0.000 1.058 448 I HN 0.041 nan 8.210 nan 0.000 0.410 449 D N 0.531 120.879 120.400 -0.086 0.000 2.097 449 D HA -0.137 4.503 4.640 -0.000 0.000 0.195 449 D C 2.394 178.658 176.300 -0.060 0.000 0.989 449 D CA 1.418 55.386 54.000 -0.053 0.000 0.827 449 D CB -0.308 40.478 40.800 -0.023 0.000 0.966 449 D HN 0.168 nan 8.370 nan 0.000 0.456 450 S N 0.671 116.333 115.700 -0.063 0.000 2.370 450 S HA -0.158 4.312 4.470 -0.000 0.000 0.226 450 S C 2.119 176.661 174.600 -0.097 0.000 1.033 450 S CA 1.196 59.371 58.200 -0.042 0.000 1.011 450 S CB -0.275 62.906 63.200 -0.032 0.000 0.852 450 S HN 0.382 nan 8.310 nan 0.000 0.457 451 A N 1.621 124.359 122.820 -0.136 0.000 1.902 451 A HA -0.156 4.164 4.320 -0.000 0.000 0.217 451 A C 2.013 179.484 177.584 -0.190 0.000 1.181 451 A CA 1.482 53.405 52.037 -0.190 0.000 0.623 451 A CB -0.571 18.320 19.000 -0.182 0.000 0.818 451 A HN 0.551 nan 8.150 nan 0.000 0.443 452 E N -0.464 119.655 120.200 -0.136 0.000 2.110 452 E HA -0.152 4.198 4.350 -0.000 0.000 0.193 452 E C 1.846 178.379 176.600 -0.111 0.000 0.988 452 E CA 1.134 57.465 56.400 -0.116 0.000 0.804 452 E CB -0.286 29.367 29.700 -0.079 0.000 0.745 452 E HN 0.712 nan 8.360 nan 0.000 0.458 453 I N 0.729 121.248 120.570 -0.085 0.000 2.252 453 I HA -0.244 3.926 4.170 -0.000 0.000 0.245 453 I C 2.386 178.435 176.117 -0.114 0.000 1.102 453 I CA 0.492 61.772 61.300 -0.034 0.000 1.385 453 I CB -0.090 37.945 38.000 0.058 0.000 1.064 453 I HN 0.148 nan 8.210 nan 0.000 0.414 454 L N 0.923 121.939 121.223 -0.346 0.000 2.093 454 L HA -0.142 4.198 4.340 -0.000 0.000 0.208 454 L C 2.246 178.810 176.870 -0.510 0.000 1.085 454 L CA 1.791 56.163 54.840 -0.780 0.000 0.755 454 L CB -0.495 40.953 42.059 -1.018 0.000 0.904 454 L HN 0.121 nan 8.230 nan 0.000 0.435 455 I N 0.065 120.430 120.570 -0.342 0.000 2.179 455 I HA -0.314 3.856 4.170 -0.000 0.000 0.242 455 I C 2.058 178.073 176.117 -0.171 0.000 1.088 455 I CA 1.351 62.505 61.300 -0.245 0.000 1.357 455 I CB -0.553 37.340 38.000 -0.177 0.000 1.051 455 I HN 0.354 nan 8.210 nan 0.000 0.409 456 N N -0.010 118.614 118.700 -0.127 0.000 2.223 456 N HA -0.185 4.554 4.740 -0.000 0.000 0.185 456 N C 1.865 177.339 175.510 -0.059 0.000 1.016 456 N CA 1.315 54.320 53.050 -0.074 0.000 0.863 456 N CB -0.772 37.687 38.487 -0.046 0.000 0.983 456 N HN 0.442 nan 8.380 nan 0.000 0.429 457 c N 0.710 119.268 118.600 -0.070 0.000 2.489 457 c HA 0.198 4.768 4.570 -0.000 0.000 0.279 457 c C 2.777 176.846 174.090 -0.034 0.000 1.266 457 c CA 1.056 57.380 56.329 -0.007 0.000 1.707 457 c CB -1.122 41.439 42.510 0.084 0.000 2.059 457 c HN 0.458 nan 8.230 nan 0.000 0.481 458 A N -0.350 122.371 122.820 -0.165 0.000 1.873 458 A HA -0.181 4.139 4.320 -0.000 0.000 0.215 458 A C 2.119 179.666 177.584 -0.062 0.000 1.186 458 A CA 1.826 53.778 52.037 -0.141 0.000 0.616 458 A CB -0.691 18.045 19.000 -0.439 0.000 0.823 458 A HN 0.823 nan 8.150 nan 0.000 0.442 459 Q N -0.756 118.986 119.800 -0.097 0.000 2.123 459 Q HA 0.001 4.341 4.340 -0.000 0.000 0.196 459 Q C 1.365 177.347 176.000 -0.031 0.000 0.958 459 Q CA 1.200 56.969 55.803 -0.056 0.000 0.841 459 Q CB -0.011 28.684 28.738 -0.071 0.000 0.915 459 Q HN 0.611 nan 8.270 nan 0.000 0.455 460 K N 0.222 120.602 120.400 -0.033 0.000 2.374 460 K HA 0.100 4.420 4.320 -0.000 0.000 0.196 460 K C -0.215 176.384 176.600 -0.002 0.000 1.023 460 K CA -0.063 56.215 56.287 -0.016 0.000 1.103 460 K CB 0.700 33.189 32.500 -0.019 0.000 0.848 460 K HN -0.097 nan 8.250 nan 0.000 0.528 461 K N 0.186 120.590 120.400 0.006 0.000 3.160 461 K HA -0.191 4.128 4.320 -0.000 0.000 0.280 461 K C -0.445 176.168 176.600 0.021 0.000 1.154 461 K CA 1.138 57.439 56.287 0.024 0.000 0.822 461 K CB -2.128 30.388 32.500 0.026 0.000 1.239 461 K HN 0.350 nan 8.250 nan 0.000 0.489 462 M N 0.732 120.339 119.600 0.011 0.000 2.060 462 M HA 0.165 4.645 4.480 -0.000 0.000 0.342 462 M C 0.033 176.345 176.300 0.020 0.000 1.031 462 M CA -0.412 54.895 55.300 0.012 0.000 0.981 462 M CB 0.925 33.526 32.600 0.002 0.000 1.376 462 M HN 0.095 nan 8.290 nan 0.000 0.397 463 c N 0.000 118.620 118.600 0.034 0.000 2.653 463 c HA 0.000 4.570 4.570 -0.000 0.000 0.325 463 c CA 0.000 56.359 56.329 0.050 0.000 1.963 463 c CB 0.000 42.556 42.510 0.077 0.000 2.134 463 c HN 0.000 nan 8.230 nan 0.000 0.568