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 3b7l_1_A DATA FIRST_RESID 8 DATA SEQUENCE DVYAQEKQDF VQHFSQIVRV LTEDEMGHPE IGDAIARLKE VLEYNAIGGK DATA SEQUENCE YNRGLTVVVA FRELVEPRKQ DADSLQRAWT VGWCVELLQA FFLVADDIMD DATA SEQUENCE SSLTRRGQIC WYQKPGVGLD AINDANLLEA CIYRLLKLYC REQPYYLNLI DATA SEQUENCE ELFLQSSYQT EIGQTLDLLT APQGNVDLVR FTEKRYKSIV KYKTAFYSFY DATA SEQUENCE LPIAAAMYMA GIDGEKEHAN AKKILLEMGE FFQIQDDYLD LFGDPSVTGK DATA SEQUENCE IGTDIQDNKC SWLVVQCLQR ATPEQYQILK ENYGQKEAEK VARVKALYEE DATA SEQUENCE LDLPAVFLQY EEDSYSHIMA LIEQYAAPLP PAVFLGLARK IYK 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 8 D HA 0.000 nan 4.640 nan 0.000 0.175 8 D C 0.000 176.380 176.300 0.133 0.000 2.045 8 D CA 0.000 54.068 54.000 0.113 0.000 0.868 8 D CB 0.000 40.877 40.800 0.128 0.000 0.688 9 V N 0.107 120.119 119.914 0.163 0.000 2.720 9 V HA -0.092 4.036 4.120 0.015 0.000 0.256 9 V C 1.771 177.901 176.094 0.060 0.000 1.082 9 V CA 2.120 64.480 62.300 0.099 0.000 1.101 9 V CB -1.108 30.753 31.823 0.063 0.000 0.693 9 V HN 0.732 nan 8.190 nan 0.000 0.479 10 Y N 0.475 120.770 120.300 -0.009 0.000 2.220 10 Y HA 0.025 4.584 4.550 0.015 0.000 0.291 10 Y C 2.519 178.420 175.900 0.002 0.000 1.129 10 Y CA 1.364 59.450 58.100 -0.022 0.000 1.161 10 Y CB -0.942 37.501 38.460 -0.028 0.000 0.997 10 Y HN 0.302 nan 8.280 nan 0.000 0.522 11 A N -0.077 122.844 122.820 0.169 0.000 1.930 11 A HA -0.189 4.140 4.320 0.015 0.000 0.217 11 A C 2.246 179.876 177.584 0.076 0.000 1.175 11 A CA 1.870 53.972 52.037 0.109 0.000 0.627 11 A CB -1.239 17.815 19.000 0.090 0.000 0.815 11 A HN 0.464 nan 8.150 nan 0.000 0.443 12 Q N -0.264 119.574 119.800 0.064 0.000 2.364 12 Q HA -0.138 4.211 4.340 0.015 0.000 0.209 12 Q C 1.454 177.478 176.000 0.040 0.000 0.977 12 Q CA 1.722 57.552 55.803 0.045 0.000 0.885 12 Q CB -0.601 28.158 28.738 0.036 0.000 0.941 12 Q HN 0.827 nan 8.270 nan 0.000 0.464 13 E N -1.394 118.822 120.200 0.027 0.000 2.539 13 E HA 0.092 4.451 4.350 0.015 0.000 0.215 13 E C 1.547 178.196 176.600 0.081 0.000 0.965 13 E CA 0.396 56.817 56.400 0.036 0.000 1.019 13 E CB 0.451 30.129 29.700 -0.036 0.000 1.059 13 E HN 0.688 nan 8.360 nan 0.000 0.496 14 K N 1.890 122.340 120.400 0.083 0.000 1.991 14 K HA -0.175 4.154 4.320 0.015 0.000 0.207 14 K C 2.537 179.217 176.600 0.133 0.000 1.045 14 K CA 1.832 58.197 56.287 0.130 0.000 0.937 14 K CB -0.065 32.522 32.500 0.143 0.000 0.720 14 K HN 0.018 nan 8.250 nan 0.000 0.438 15 Q N 0.439 120.288 119.800 0.081 0.000 2.112 15 Q HA -0.231 4.118 4.340 0.015 0.000 0.206 15 Q C 1.971 177.963 176.000 -0.015 0.000 0.987 15 Q CA 2.850 58.673 55.803 0.033 0.000 0.858 15 Q CB -2.000 26.750 28.738 0.020 0.000 0.905 15 Q HN 0.797 nan 8.270 nan 0.000 0.420 16 D N -0.988 119.419 120.400 0.013 0.000 2.178 16 D HA -0.007 4.642 4.640 0.015 0.000 0.202 16 D C 1.723 178.034 176.300 0.018 0.000 0.974 16 D CA 1.264 55.241 54.000 -0.040 0.000 0.841 16 D CB -0.459 40.393 40.800 0.087 0.000 0.953 16 D HN 0.650 nan 8.370 nan 0.000 0.478 17 F N 0.854 120.811 119.950 0.010 0.000 2.084 17 F HA -0.044 4.491 4.527 0.013 0.000 0.296 17 F C 2.527 178.392 175.800 0.108 0.000 1.111 17 F CA 1.429 59.469 58.000 0.068 0.000 1.224 17 F CB -0.236 38.729 39.000 -0.058 0.000 0.991 17 F HN 0.082 nan 8.300 nan 0.000 0.471 18 V N 0.521 120.423 119.914 -0.020 0.000 2.343 18 V HA -0.347 3.782 4.120 0.015 0.000 0.247 18 V C 2.421 178.418 176.094 -0.161 0.000 1.051 18 V CA 2.222 64.450 62.300 -0.120 0.000 1.036 18 V CB -0.921 30.812 31.823 -0.150 0.000 0.654 18 V HN 0.437 nan 8.190 nan 0.000 0.451 19 Q N -0.462 119.189 119.800 -0.249 0.000 2.197 19 Q HA -0.304 4.045 4.340 0.015 0.000 0.211 19 Q C 2.002 177.692 176.000 -0.517 0.000 0.993 19 Q CA 2.422 57.996 55.803 -0.382 0.000 0.883 19 Q CB -0.194 28.231 28.738 -0.521 0.000 0.916 19 Q HN 0.807 nan 8.270 nan 0.000 0.418 20 H N -1.851 116.917 119.070 -0.503 0.000 2.555 20 H HA -0.042 4.524 4.556 0.016 0.000 0.269 20 H C 1.147 176.063 175.328 -0.686 0.000 0.988 20 H CA 0.579 56.132 56.048 -0.825 0.000 1.178 20 H CB 0.098 28.894 29.762 -1.609 0.000 1.373 20 H HN 0.277 nan 8.280 nan 0.000 0.588 21 F N 1.568 121.096 119.950 -0.703 0.000 2.171 21 F HA -0.249 4.286 4.527 0.014 0.000 0.300 21 F C 2.512 177.970 175.800 -0.571 0.000 1.090 21 F CA 1.316 58.723 58.000 -0.989 0.000 1.293 21 F CB -0.384 38.041 39.000 -0.958 0.000 1.013 21 F HN 0.154 nan 8.300 nan 0.000 0.486 22 S N -0.363 115.106 115.700 -0.386 0.000 2.383 22 S HA -0.347 4.132 4.470 0.015 0.000 0.229 22 S C 2.070 176.474 174.600 -0.327 0.000 1.030 22 S CA 1.495 59.492 58.200 -0.339 0.000 1.002 22 S CB -1.000 62.088 63.200 -0.188 0.000 0.829 22 S HN 0.711 nan 8.310 nan 0.000 0.467 23 Q N 0.376 120.015 119.800 -0.267 0.000 2.046 23 Q HA -0.050 4.299 4.340 0.015 0.000 0.200 23 Q C 2.094 178.015 176.000 -0.131 0.000 0.975 23 Q CA 1.472 57.208 55.803 -0.112 0.000 0.836 23 Q CB -0.206 28.573 28.738 0.069 0.000 0.896 23 Q HN 0.515 nan 8.270 nan 0.000 0.428 24 I N 0.354 120.758 120.570 -0.277 0.000 2.118 24 I HA -0.266 3.913 4.170 0.015 0.000 0.241 24 I C 2.348 178.234 176.117 -0.385 0.000 1.070 24 I CA 1.106 62.210 61.300 -0.327 0.000 1.327 24 I CB -1.240 36.414 38.000 -0.578 0.000 1.034 24 I HN 0.175 nan 8.210 nan 0.000 0.405 25 V N 0.708 120.245 119.914 -0.628 0.000 2.295 25 V HA -0.266 3.863 4.120 0.015 0.000 0.246 25 V C 2.762 178.692 176.094 -0.273 0.000 1.049 25 V CA 1.954 63.944 62.300 -0.517 0.000 1.024 25 V CB -0.769 30.650 31.823 -0.673 0.000 0.648 25 V HN 0.382 nan 8.190 nan 0.000 0.447 26 R N 0.442 120.807 120.500 -0.225 0.000 2.080 26 R HA -0.182 4.167 4.340 0.015 0.000 0.236 26 R C 2.317 178.569 176.300 -0.080 0.000 1.137 26 R CA 2.378 58.403 56.100 -0.125 0.000 0.943 26 R CB -0.434 29.808 30.300 -0.098 0.000 0.846 26 R HN 0.539 nan 8.270 nan 0.000 0.431 27 V N -1.194 118.689 119.914 -0.052 0.000 2.515 27 V HA -0.126 4.003 4.120 0.015 0.000 0.250 27 V C 2.097 178.177 176.094 -0.023 0.000 1.058 27 V CA 1.539 63.833 62.300 -0.010 0.000 1.064 27 V CB -0.589 31.280 31.823 0.078 0.000 0.675 27 V HN 0.267 nan 8.190 nan 0.000 0.461 28 L N 1.406 122.597 121.223 -0.053 0.000 2.313 28 L HA 0.012 4.361 4.340 0.015 0.000 0.214 28 L C 2.350 179.192 176.870 -0.047 0.000 1.119 28 L CA 1.625 56.436 54.840 -0.049 0.000 0.809 28 L CB -0.515 41.498 42.059 -0.078 0.000 0.933 28 L HN 0.656 nan 8.230 nan 0.000 0.449 29 T N -3.929 110.588 114.554 -0.062 0.000 3.174 29 T HA 0.072 4.430 4.350 0.015 0.000 0.269 29 T C 0.740 175.420 174.700 -0.034 0.000 1.017 29 T CA -0.379 61.693 62.100 -0.047 0.000 0.899 29 T CB -0.104 68.727 68.868 -0.062 0.000 1.077 29 T HN 0.487 nan 8.240 nan 0.000 0.552 30 E N 0.078 120.260 120.200 -0.031 0.000 2.736 30 E HA 0.204 4.563 4.350 0.015 0.000 0.208 30 E C 0.022 176.613 176.600 -0.016 0.000 0.996 30 E CA -0.419 55.965 56.400 -0.027 0.000 1.104 30 E CB 0.041 29.719 29.700 -0.036 0.000 1.111 30 E HN 0.157 nan 8.360 nan 0.000 0.455 31 D N 1.276 121.679 120.400 0.007 0.000 2.413 31 D HA 0.004 4.652 4.640 0.015 0.000 0.237 31 D C 0.869 177.214 176.300 0.074 0.000 1.171 31 D CA 0.325 54.355 54.000 0.049 0.000 0.839 31 D CB 0.249 41.088 40.800 0.065 0.000 0.950 31 D HN 0.433 nan 8.370 nan 0.000 0.499 32 E N -1.118 119.092 120.200 0.017 0.000 2.367 32 E HA 0.185 4.544 4.350 0.015 0.000 0.204 32 E C 0.777 177.364 176.600 -0.021 0.000 0.840 32 E CA 0.021 56.432 56.400 0.018 0.000 1.051 32 E CB 0.446 30.149 29.700 0.006 0.000 1.051 32 E HN 0.308 nan 8.360 nan 0.000 0.509 33 M N 0.679 120.248 119.600 -0.051 0.000 2.217 33 M HA 0.450 4.939 4.480 0.015 0.000 0.352 33 M C 1.170 177.370 176.300 -0.167 0.000 1.376 33 M CA 0.895 56.146 55.300 -0.083 0.000 1.107 33 M CB -0.697 31.861 32.600 -0.070 0.000 1.723 33 M HN 0.377 nan 8.290 nan 0.000 0.461 34 G N 0.548 109.223 108.800 -0.209 0.000 2.490 34 G HA2 -0.144 3.825 3.960 0.015 0.000 0.214 34 G HA3 -0.144 3.825 3.960 0.015 0.000 0.214 34 G C 0.130 174.737 174.900 -0.489 0.000 1.151 34 G CA 0.295 45.143 45.100 -0.420 0.000 0.684 34 G HN 1.648 nan 8.290 nan 0.000 0.518 35 H N 1.349 120.411 119.070 -0.013 0.000 2.439 35 H HA 0.352 4.916 4.556 0.014 0.000 0.230 35 H C -1.951 173.371 175.328 -0.009 0.000 1.420 35 H CA -0.836 55.206 56.048 -0.010 0.000 1.305 35 H CB 1.436 31.192 29.762 -0.010 0.000 1.667 35 H HN 0.357 nan 8.280 nan 0.000 0.515 36 P HA -0.123 nan 4.420 nan 0.000 0.230 36 P C 1.235 178.560 177.300 0.041 0.000 1.158 36 P CA 0.742 63.865 63.100 0.037 0.000 0.769 36 P CB 0.371 32.080 31.700 0.014 0.000 0.807 37 E N 1.435 121.668 120.200 0.054 0.000 2.204 37 E HA -0.147 4.211 4.350 0.015 0.000 0.195 37 E C 1.812 178.431 176.600 0.032 0.000 0.990 37 E CA 0.834 57.256 56.400 0.038 0.000 0.821 37 E CB -0.958 28.764 29.700 0.036 0.000 0.750 37 E HN 0.378 nan 8.360 nan 0.000 0.477 38 I N -2.047 118.549 120.570 0.043 0.000 3.810 38 I HA 0.383 4.562 4.170 0.015 0.000 0.322 38 I C 1.766 177.901 176.117 0.030 0.000 1.288 38 I CA 0.065 61.383 61.300 0.030 0.000 1.143 38 I CB 0.218 38.232 38.000 0.024 0.000 1.012 38 I HN -0.001 nan 8.210 nan 0.000 0.423 39 G N 1.759 110.577 108.800 0.029 0.000 2.446 39 G HA2 -0.255 3.714 3.960 0.015 0.000 0.217 39 G HA3 -0.255 3.714 3.960 0.015 0.000 0.217 39 G C 1.143 176.056 174.900 0.022 0.000 1.168 39 G CA 1.217 46.331 45.100 0.023 0.000 0.771 39 G HN 0.395 nan 8.290 nan 0.000 0.551 40 D N 0.911 121.324 120.400 0.022 0.000 2.144 40 D HA -0.031 4.618 4.640 0.015 0.000 0.199 40 D C 2.761 179.079 176.300 0.031 0.000 0.984 40 D CA 1.191 55.206 54.000 0.026 0.000 0.834 40 D CB -0.385 40.430 40.800 0.024 0.000 0.955 40 D HN 0.335 nan 8.370 nan 0.000 0.465 41 A N 0.739 123.576 122.820 0.028 0.000 1.929 41 A HA -0.100 4.229 4.320 0.015 0.000 0.216 41 A C 2.145 179.746 177.584 0.029 0.000 1.176 41 A CA 0.648 52.703 52.037 0.031 0.000 0.628 41 A CB -0.311 18.703 19.000 0.023 0.000 0.816 41 A HN 0.102 nan 8.150 nan 0.000 0.444 42 I N -0.003 120.580 120.570 0.022 0.000 2.353 42 I HA -0.173 4.006 4.170 0.015 0.000 0.248 42 I C 2.904 179.028 176.117 0.013 0.000 1.119 42 I CA 1.259 62.568 61.300 0.014 0.000 1.417 42 I CB -1.549 36.458 38.000 0.011 0.000 1.078 42 I HN 0.355 nan 8.210 nan 0.000 0.421 43 A N 1.041 123.874 122.820 0.020 0.000 1.908 43 A HA -0.271 4.058 4.320 0.015 0.000 0.218 43 A C 2.437 180.047 177.584 0.043 0.000 1.181 43 A CA 2.113 54.166 52.037 0.026 0.000 0.627 43 A CB -0.564 18.454 19.000 0.030 0.000 0.818 43 A HN 0.313 nan 8.150 nan 0.000 0.445 44 R N -0.327 120.206 120.500 0.055 0.000 2.081 44 R HA -0.090 4.258 4.340 0.015 0.000 0.235 44 R C 1.879 178.217 176.300 0.064 0.000 1.131 44 R CA 1.776 57.928 56.100 0.086 0.000 0.960 44 R CB -1.045 29.313 30.300 0.097 0.000 0.856 44 R HN 0.416 nan 8.270 nan 0.000 0.436 45 L N 1.129 122.373 121.223 0.036 0.000 2.012 45 L HA -0.124 4.225 4.340 0.015 0.000 0.210 45 L C 2.192 179.055 176.870 -0.012 0.000 1.073 45 L CA 2.222 57.068 54.840 0.010 0.000 0.748 45 L CB -0.775 41.285 42.059 0.002 0.000 0.891 45 L HN 0.319 nan 8.230 nan 0.000 0.431 46 K N -0.527 119.866 120.400 -0.011 0.000 2.032 46 K HA -0.276 4.053 4.320 0.015 0.000 0.209 46 K C 2.191 178.795 176.600 0.006 0.000 1.048 46 K CA 1.990 58.264 56.287 -0.021 0.000 0.927 46 K CB -0.291 32.197 32.500 -0.019 0.000 0.712 46 K HN 0.549 nan 8.250 nan 0.000 0.441 47 E N -0.059 120.158 120.200 0.029 0.000 2.058 47 E HA -0.180 4.178 4.350 0.015 0.000 0.194 47 E C 1.878 178.424 176.600 -0.090 0.000 0.997 47 E CA 1.498 57.928 56.400 0.050 0.000 0.801 47 E CB 0.093 29.875 29.700 0.136 0.000 0.746 47 E HN 0.174 nan 8.360 nan 0.000 0.450 48 V N 1.282 121.084 119.914 -0.186 0.000 2.295 48 V HA -0.282 3.847 4.120 0.015 0.000 0.246 48 V C 2.483 178.437 176.094 -0.234 0.000 1.049 48 V CA 1.577 63.606 62.300 -0.451 0.000 1.024 48 V CB -0.459 31.201 31.823 -0.272 0.000 0.648 48 V HN 0.327 nan 8.190 nan 0.000 0.447 49 L N -0.413 120.780 121.223 -0.050 0.000 2.012 49 L HA -0.222 4.127 4.340 0.015 0.000 0.210 49 L C 2.612 179.618 176.870 0.225 0.000 1.073 49 L CA 1.880 56.782 54.840 0.103 0.000 0.748 49 L CB -0.584 41.519 42.059 0.072 0.000 0.891 49 L HN 0.376 nan 8.230 nan 0.000 0.431 50 E N -1.218 119.089 120.200 0.179 0.000 2.106 50 E HA -0.251 4.108 4.350 0.015 0.000 0.192 50 E C 2.006 178.663 176.600 0.096 0.000 0.984 50 E CA 1.248 57.769 56.400 0.201 0.000 0.806 50 E CB -0.101 29.698 29.700 0.164 0.000 0.750 50 E HN 0.436 nan 8.360 nan 0.000 0.458 51 Y N 1.204 121.459 120.300 -0.075 0.000 2.263 51 Y HA -0.080 4.478 4.550 0.014 0.000 0.292 51 Y C 1.750 177.614 175.900 -0.060 0.000 1.130 51 Y CA 1.306 59.360 58.100 -0.076 0.000 1.179 51 Y CB 0.354 38.693 38.460 -0.203 0.000 0.998 51 Y HN -0.017 nan 8.280 nan 0.000 0.532 52 N N -1.307 117.423 118.700 0.051 0.000 2.294 52 N HA 0.154 4.903 4.740 0.015 0.000 0.186 52 N C 1.064 176.630 175.510 0.094 0.000 1.107 52 N CA 0.834 53.927 53.050 0.072 0.000 0.884 52 N CB 0.513 39.007 38.487 0.011 0.000 1.030 52 N HN 0.278 nan 8.380 nan 0.000 0.482 53 A N 0.143 123.025 122.820 0.103 0.000 2.390 53 A HA 0.322 4.651 4.320 0.015 0.000 0.232 53 A C 0.377 178.038 177.584 0.128 0.000 1.233 53 A CA 0.065 52.221 52.037 0.199 0.000 0.907 53 A CB 0.532 19.746 19.000 0.357 0.000 0.967 53 A HN -0.028 nan 8.150 nan 0.000 0.512 54 I N -0.870 119.676 120.570 -0.040 0.000 2.530 54 I HA 0.574 4.753 4.170 0.015 0.000 0.297 54 I C 1.119 177.240 176.117 0.006 0.000 1.011 54 I CA 0.674 61.966 61.300 -0.013 0.000 1.107 54 I CB 1.209 39.060 38.000 -0.248 0.000 1.285 54 I HN 0.373 nan 8.210 nan 0.000 0.436 55 G N 3.945 112.769 108.800 0.040 0.000 2.229 55 G HA2 -0.121 3.848 3.960 0.015 0.000 0.189 55 G HA3 -0.121 3.848 3.960 0.015 0.000 0.189 55 G C 0.423 175.203 174.900 -0.200 0.000 1.000 55 G CA -0.176 44.882 45.100 -0.071 0.000 0.663 55 G HN 0.967 nan 8.290 nan 0.000 0.493 56 G N -0.337 108.211 108.800 -0.418 0.000 2.531 56 G HA2 0.552 4.521 3.960 0.015 0.000 0.281 56 G HA3 0.552 4.521 3.960 0.015 0.000 0.281 56 G C 0.747 175.173 174.900 -0.789 0.000 1.382 56 G CA 0.198 45.004 45.100 -0.490 0.000 1.045 56 G HN 0.242 nan 8.290 nan 0.000 0.533 57 K N -1.408 118.679 120.400 -0.523 0.000 2.361 57 K HA 0.137 4.466 4.320 0.015 0.000 0.196 57 K C -0.253 176.195 176.600 -0.254 0.000 1.039 57 K CA 0.039 56.130 56.287 -0.328 0.000 1.001 57 K CB 0.059 32.482 32.500 -0.128 0.000 0.795 57 K HN 0.532 nan 8.250 nan 0.000 0.495 58 Y N -0.628 119.648 120.300 -0.039 0.000 4.409 58 Y HA -0.313 4.245 4.550 0.014 0.000 0.228 58 Y C 0.903 176.674 175.900 -0.215 0.000 1.108 58 Y CA -0.062 57.962 58.100 -0.127 0.000 1.955 58 Y CB -2.543 35.880 38.460 -0.061 0.000 1.615 58 Y HN 0.187 nan 8.280 nan 0.000 0.665 59 N N 0.566 119.224 118.700 -0.070 0.000 2.188 59 N HA -0.084 4.665 4.740 0.015 0.000 0.184 59 N C 1.791 177.225 175.510 -0.126 0.000 1.018 59 N CA 1.678 54.705 53.050 -0.038 0.000 0.858 59 N CB -0.168 38.249 38.487 -0.117 0.000 0.989 59 N HN 0.603 nan 8.380 nan 0.000 0.426 60 R N -0.038 120.323 120.500 -0.231 0.000 2.066 60 R HA 0.032 4.380 4.340 0.015 0.000 0.232 60 R C 2.368 178.514 176.300 -0.256 0.000 1.131 60 R CA 1.310 57.242 56.100 -0.279 0.000 0.955 60 R CB -0.647 29.485 30.300 -0.281 0.000 0.851 60 R HN 0.192 nan 8.270 nan 0.000 0.432 61 G N 1.151 109.775 108.800 -0.293 0.000 2.421 61 G HA2 -0.226 3.743 3.960 0.015 0.000 0.216 61 G HA3 -0.226 3.743 3.960 0.015 0.000 0.216 61 G C 1.450 175.850 174.900 -0.834 0.000 1.171 61 G CA 0.401 45.231 45.100 -0.449 0.000 0.775 61 G HN 0.110 nan 8.290 nan 0.000 0.543 62 L N 0.577 121.206 121.223 -0.989 0.000 2.127 62 L HA -0.132 4.217 4.340 0.015 0.000 0.211 62 L C 3.172 179.685 176.870 -0.596 0.000 1.089 62 L CA 1.550 55.880 54.840 -0.850 0.000 0.757 62 L CB -0.548 41.193 42.059 -0.530 0.000 0.899 62 L HN 0.212 nan 8.230 nan 0.000 0.434 63 T N -0.836 113.486 114.554 -0.387 0.000 2.788 63 T HA -0.152 4.207 4.350 0.015 0.000 0.268 63 T C 1.967 176.517 174.700 -0.250 0.000 1.044 63 T CA 1.337 63.269 62.100 -0.280 0.000 1.139 63 T CB -0.164 68.628 68.868 -0.128 0.000 0.867 63 T HN 0.099 nan 8.240 nan 0.000 0.454 64 V N 1.316 121.098 119.914 -0.221 0.000 2.287 64 V HA -0.168 3.961 4.120 0.015 0.000 0.248 64 V C 2.667 178.705 176.094 -0.093 0.000 1.053 64 V CA 1.451 63.670 62.300 -0.134 0.000 1.027 64 V CB -0.899 30.875 31.823 -0.083 0.000 0.646 64 V HN 0.318 nan 8.190 nan 0.000 0.447 65 V N -0.267 119.562 119.914 -0.142 0.000 2.295 65 V HA -0.229 3.900 4.120 0.015 0.000 0.246 65 V C 2.421 178.497 176.094 -0.030 0.000 1.049 65 V CA 2.036 64.309 62.300 -0.045 0.000 1.024 65 V CB -0.548 31.247 31.823 -0.047 0.000 0.648 65 V HN 0.406 nan 8.190 nan 0.000 0.447 66 V N 0.210 120.005 119.914 -0.198 0.000 2.358 66 V HA -0.211 3.917 4.120 0.015 0.000 0.246 66 V C 2.699 178.707 176.094 -0.143 0.000 1.047 66 V CA 1.939 64.107 62.300 -0.220 0.000 1.035 66 V CB -1.097 30.447 31.823 -0.466 0.000 0.658 66 V HN 0.551 nan 8.190 nan 0.000 0.452 67 A N -0.416 122.314 122.820 -0.149 0.000 1.902 67 A HA -0.229 4.099 4.320 0.015 0.000 0.217 67 A C 2.109 179.643 177.584 -0.084 0.000 1.181 67 A CA 1.947 53.898 52.037 -0.143 0.000 0.623 67 A CB -0.710 18.187 19.000 -0.173 0.000 0.818 67 A HN 0.527 nan 8.150 nan 0.000 0.443 68 F N 0.751 120.611 119.950 -0.149 0.000 2.069 68 F HA -0.199 4.335 4.527 0.011 0.000 0.298 68 F C 2.379 178.126 175.800 -0.089 0.000 1.113 68 F CA 2.096 60.026 58.000 -0.115 0.000 1.214 68 F CB -0.292 38.649 39.000 -0.099 0.000 0.978 68 F HN 0.110 nan 8.300 nan 0.000 0.474 69 R N 0.124 120.593 120.500 -0.051 0.000 2.127 69 R HA -0.163 4.186 4.340 0.015 0.000 0.238 69 R C 2.035 178.227 176.300 -0.179 0.000 1.134 69 R CA 1.842 57.865 56.100 -0.128 0.000 0.975 69 R CB -0.408 29.896 30.300 0.008 0.000 0.865 69 R HN 0.474 nan 8.270 nan 0.000 0.447 70 E N -0.096 120.009 120.200 -0.159 0.000 2.299 70 E HA -0.034 4.324 4.350 0.015 0.000 0.193 70 E C 1.604 178.102 176.600 -0.170 0.000 0.998 70 E CA 0.548 56.862 56.400 -0.144 0.000 0.851 70 E CB 0.289 29.912 29.700 -0.128 0.000 0.795 70 E HN 0.287 nan 8.360 nan 0.000 0.492 71 L N 0.116 121.205 121.223 -0.223 0.000 2.408 71 L HA 0.131 4.479 4.340 0.015 0.000 0.215 71 L C 0.413 177.132 176.870 -0.251 0.000 1.081 71 L CA -0.017 54.697 54.840 -0.211 0.000 0.840 71 L CB 0.727 42.671 42.059 -0.193 0.000 1.002 71 L HN -0.115 nan 8.230 nan 0.000 0.468 72 V N 0.530 120.198 119.914 -0.410 0.000 2.481 72 V HA 0.121 4.250 4.120 0.015 0.000 0.286 72 V C 0.293 176.213 176.094 -0.291 0.000 1.042 72 V CA -0.807 61.231 62.300 -0.436 0.000 0.928 72 V CB 1.707 32.980 31.823 -0.916 0.000 0.986 72 V HN 0.135 nan 8.190 nan 0.000 0.462 73 E N 5.984 126.080 120.200 -0.175 0.000 2.376 73 E HA 0.077 4.436 4.350 0.015 0.000 0.266 73 E C -1.646 174.897 176.600 -0.095 0.000 1.009 73 E CA -1.398 54.938 56.400 -0.107 0.000 0.902 73 E CB 1.315 30.978 29.700 -0.062 0.000 0.972 73 E HN 0.398 nan 8.360 nan 0.000 0.439 74 P HA -0.218 nan 4.420 nan 0.000 0.217 74 P C 0.848 178.139 177.300 -0.015 0.000 1.148 74 P CA 1.586 64.660 63.100 -0.043 0.000 0.828 74 P CB -0.004 31.680 31.700 -0.027 0.000 0.783 75 R N -0.656 119.836 120.500 -0.012 0.000 2.235 75 R HA 0.037 4.386 4.340 0.015 0.000 0.213 75 R C 1.923 178.231 176.300 0.013 0.000 1.059 75 R CA 1.571 57.673 56.100 0.004 0.000 0.997 75 R CB -1.108 29.194 30.300 0.003 0.000 0.884 75 R HN 0.071 nan 8.270 nan 0.000 0.462 76 K N 1.141 121.542 120.400 0.002 0.000 2.374 76 K HA 0.135 4.464 4.320 0.015 0.000 0.196 76 K C 0.856 177.491 176.600 0.058 0.000 1.023 76 K CA 0.282 56.583 56.287 0.024 0.000 1.103 76 K CB -0.072 32.430 32.500 0.002 0.000 0.848 76 K HN 0.458 nan 8.250 nan 0.000 0.528 77 Q N 2.620 122.448 119.800 0.046 0.000 2.894 77 Q HA 0.064 4.413 4.340 0.015 0.000 0.358 77 Q C -0.617 175.462 176.000 0.131 0.000 1.155 77 Q CA -0.456 55.422 55.803 0.125 0.000 0.960 77 Q CB -0.016 28.769 28.738 0.079 0.000 1.428 77 Q HN 0.748 nan 8.270 nan 0.000 0.437 78 D N -0.913 119.557 120.400 0.116 0.000 2.369 78 D HA 0.004 4.652 4.640 0.015 0.000 0.241 78 D C 0.861 177.217 176.300 0.094 0.000 1.271 78 D CA 0.134 54.188 54.000 0.090 0.000 0.942 78 D CB 0.922 41.765 40.800 0.071 0.000 1.129 78 D HN 0.141 nan 8.370 nan 0.000 0.476 79 A N 0.759 123.625 122.820 0.077 0.000 1.892 79 A HA -0.258 4.071 4.320 0.015 0.000 0.218 79 A C 1.750 179.360 177.584 0.043 0.000 1.188 79 A CA 2.057 54.141 52.037 0.078 0.000 0.631 79 A CB -0.588 18.458 19.000 0.076 0.000 0.822 79 A HN 0.633 nan 8.150 nan 0.000 0.447 80 D N -0.410 120.006 120.400 0.027 0.000 2.117 80 D HA -0.057 4.592 4.640 0.015 0.000 0.198 80 D C 2.326 178.598 176.300 -0.047 0.000 0.982 80 D CA 1.492 55.487 54.000 -0.008 0.000 0.828 80 D CB -0.402 40.401 40.800 0.004 0.000 0.967 80 D HN 0.379 nan 8.370 nan 0.000 0.464 81 S N 0.386 116.093 115.700 0.012 0.000 2.368 81 S HA -0.068 4.411 4.470 0.015 0.000 0.225 81 S C 2.180 176.671 174.600 -0.182 0.000 1.030 81 S CA 0.452 58.667 58.200 0.024 0.000 0.999 81 S CB -0.208 63.133 63.200 0.235 0.000 0.844 81 S HN 0.224 nan 8.310 nan 0.000 0.459 82 L N 1.167 122.344 121.223 -0.078 0.000 2.046 82 L HA -0.197 4.152 4.340 0.015 0.000 0.208 82 L C 2.809 179.367 176.870 -0.519 0.000 1.077 82 L CA 1.457 56.206 54.840 -0.151 0.000 0.747 82 L CB -0.443 41.671 42.059 0.091 0.000 0.896 82 L HN 0.387 nan 8.230 nan 0.000 0.432 83 Q N 0.004 119.463 119.800 -0.568 0.000 2.084 83 Q HA -0.230 4.119 4.340 0.015 0.000 0.202 83 Q C 2.337 177.581 176.000 -1.260 0.000 0.978 83 Q CA 1.588 56.667 55.803 -1.207 0.000 0.844 83 Q CB 0.049 28.464 28.738 -0.538 0.000 0.898 83 Q HN 0.350 nan 8.270 nan 0.000 0.426 84 R N -0.219 119.899 120.500 -0.636 0.000 2.081 84 R HA -0.139 4.210 4.340 0.015 0.000 0.235 84 R C 2.348 178.322 176.300 -0.543 0.000 1.131 84 R CA 1.108 56.936 56.100 -0.452 0.000 0.960 84 R CB -0.445 29.765 30.300 -0.149 0.000 0.856 84 R HN 0.338 nan 8.270 nan 0.000 0.436 85 A N 1.911 124.300 122.820 -0.719 0.000 1.865 85 A HA -0.182 4.147 4.320 0.015 0.000 0.217 85 A C 2.037 179.444 177.584 -0.295 0.000 1.191 85 A CA 1.478 53.102 52.037 -0.687 0.000 0.623 85 A CB -1.099 17.236 19.000 -1.109 0.000 0.826 85 A HN 0.715 nan 8.150 nan 0.000 0.444 86 W N -0.408 120.778 121.300 -0.191 0.000 2.425 86 W HA -0.060 4.612 4.660 0.021 0.000 0.277 86 W C 1.412 177.952 176.519 0.035 0.000 1.231 86 W CA 1.255 58.597 57.345 -0.006 0.000 1.248 86 W CB -1.486 27.959 29.460 -0.026 0.000 1.117 86 W HN 0.240 nan 8.180 nan 0.000 0.568 87 T N 2.597 117.002 114.554 -0.248 0.000 2.684 87 T HA -0.208 4.151 4.350 0.015 0.000 0.267 87 T C 2.091 176.790 174.700 -0.002 0.000 1.036 87 T CA 2.465 64.432 62.100 -0.222 0.000 1.148 87 T CB -0.713 67.625 68.868 -0.884 0.000 0.863 87 T HN 0.032 nan 8.240 nan 0.000 0.436 88 V N 1.381 121.266 119.914 -0.048 0.000 2.407 88 V HA -0.080 4.049 4.120 0.015 0.000 0.248 88 V C 2.855 179.062 176.094 0.189 0.000 1.055 88 V CA 1.825 64.166 62.300 0.068 0.000 1.049 88 V CB -1.384 30.472 31.823 0.055 0.000 0.662 88 V HN 0.606 nan 8.190 nan 0.000 0.455 89 G N -1.289 107.623 108.800 0.186 0.000 2.418 89 G HA2 -0.266 3.703 3.960 0.015 0.000 0.217 89 G HA3 -0.266 3.703 3.960 0.015 0.000 0.217 89 G C 1.366 176.431 174.900 0.275 0.000 1.158 89 G CA 0.580 45.797 45.100 0.194 0.000 0.771 89 G HN 0.585 nan 8.290 nan 0.000 0.545 90 W N 0.175 121.720 121.300 0.407 0.000 2.402 90 W HA -0.042 4.625 4.660 0.013 0.000 0.286 90 W C 2.790 179.430 176.519 0.201 0.000 1.221 90 W CA 0.503 58.020 57.345 0.287 0.000 1.257 90 W CB -0.399 29.136 29.460 0.125 0.000 1.120 90 W HN 0.178 nan 8.180 nan 0.000 0.551 91 C N -0.823 118.662 119.300 0.309 0.000 2.413 91 C HA -0.210 4.259 4.460 0.015 0.000 0.276 91 C C 2.618 177.814 174.990 0.343 0.000 1.248 91 C CA 1.083 60.172 59.018 0.119 0.000 1.742 91 C CB -1.388 26.190 27.740 -0.270 0.000 2.017 91 C HN 0.172 nan 8.230 nan 0.000 0.481 92 V N 0.943 121.133 119.914 0.461 0.000 2.343 92 V HA -0.196 3.933 4.120 0.015 0.000 0.247 92 V C 2.538 178.833 176.094 0.335 0.000 1.051 92 V CA 1.874 64.425 62.300 0.419 0.000 1.036 92 V CB -0.687 31.253 31.823 0.196 0.000 0.654 92 V HN 0.525 nan 8.190 nan 0.000 0.451 93 E N 0.170 120.548 120.200 0.296 0.000 2.110 93 E HA -0.141 4.217 4.350 0.015 0.000 0.193 93 E C 2.220 179.053 176.600 0.388 0.000 0.988 93 E CA 1.092 57.680 56.400 0.312 0.000 0.804 93 E CB -0.281 29.592 29.700 0.289 0.000 0.745 93 E HN 0.537 nan 8.360 nan 0.000 0.458 94 L N 0.285 121.750 121.223 0.403 0.000 2.093 94 L HA -0.165 4.184 4.340 0.015 0.000 0.208 94 L C 2.540 179.600 176.870 0.317 0.000 1.085 94 L CA 0.382 55.417 54.840 0.325 0.000 0.755 94 L CB -0.359 41.838 42.059 0.231 0.000 0.904 94 L HN 0.120 nan 8.230 nan 0.000 0.435 95 L N -0.053 121.393 121.223 0.371 0.000 2.017 95 L HA -0.259 4.090 4.340 0.015 0.000 0.208 95 L C 2.645 179.842 176.870 0.544 0.000 1.073 95 L CA 1.779 56.910 54.840 0.485 0.000 0.745 95 L CB -0.566 41.852 42.059 0.598 0.000 0.894 95 L HN 0.286 nan 8.230 nan 0.000 0.432 96 Q N -0.928 119.178 119.800 0.511 0.000 2.061 96 Q HA -0.249 4.100 4.340 0.015 0.000 0.204 96 Q C 2.138 178.350 176.000 0.352 0.000 0.984 96 Q CA 2.028 58.127 55.803 0.493 0.000 0.846 96 Q CB -0.245 28.737 28.738 0.406 0.000 0.902 96 Q HN 0.628 nan 8.270 nan 0.000 0.421 97 A N 0.698 123.704 122.820 0.311 0.000 1.883 97 A HA -0.220 4.109 4.320 0.015 0.000 0.217 97 A C 1.913 179.632 177.584 0.226 0.000 1.186 97 A CA 1.550 53.735 52.037 0.247 0.000 0.624 97 A CB -1.240 17.904 19.000 0.242 0.000 0.822 97 A HN 0.707 nan 8.150 nan 0.000 0.444 98 F N -0.551 119.440 119.950 0.068 0.000 2.065 98 F HA -0.242 4.295 4.527 0.016 0.000 0.298 98 F C 2.037 177.799 175.800 -0.063 0.000 1.112 98 F CA 2.135 60.102 58.000 -0.055 0.000 1.212 98 F CB -0.455 38.435 39.000 -0.183 0.000 0.975 98 F HN 0.205 nan 8.300 nan 0.000 0.476 99 F N 0.748 120.454 119.950 -0.407 0.000 2.171 99 F HA -0.203 4.332 4.527 0.013 0.000 0.300 99 F C 2.230 177.892 175.800 -0.230 0.000 1.090 99 F CA 1.237 58.909 58.000 -0.546 0.000 1.293 99 F CB -0.379 38.344 39.000 -0.462 0.000 1.013 99 F HN 0.027 nan 8.300 nan 0.000 0.486 100 L N -0.954 120.344 121.223 0.124 0.000 2.072 100 L HA -0.178 4.170 4.340 0.015 0.000 0.205 100 L C 2.355 179.296 176.870 0.117 0.000 1.079 100 L CA 0.558 55.478 54.840 0.133 0.000 0.752 100 L CB -0.781 41.382 42.059 0.172 0.000 0.906 100 L HN -0.039 nan 8.230 nan 0.000 0.436 101 V N 0.461 120.451 119.914 0.126 0.000 2.282 101 V HA -0.355 3.774 4.120 0.015 0.000 0.249 101 V C 2.778 178.923 176.094 0.086 0.000 1.057 101 V CA 2.081 64.484 62.300 0.172 0.000 1.032 101 V CB -0.935 31.011 31.823 0.205 0.000 0.645 101 V HN 0.504 nan 8.190 nan 0.000 0.447 102 A N -0.084 122.737 122.820 0.002 0.000 1.873 102 A HA -0.284 4.045 4.320 0.015 0.000 0.215 102 A C 2.058 179.605 177.584 -0.062 0.000 1.186 102 A CA 2.088 54.094 52.037 -0.052 0.000 0.616 102 A CB -0.770 18.155 19.000 -0.125 0.000 0.823 102 A HN 0.624 nan 8.150 nan 0.000 0.442 103 D N -0.350 120.035 120.400 -0.025 0.000 2.123 103 D HA -0.183 4.466 4.640 0.015 0.000 0.196 103 D C 1.306 177.590 176.300 -0.028 0.000 0.992 103 D CA 1.616 55.608 54.000 -0.012 0.000 0.833 103 D CB -0.103 40.713 40.800 0.027 0.000 0.954 103 D HN 0.357 nan 8.370 nan 0.000 0.455 104 D N -0.209 120.191 120.400 -0.001 0.000 2.123 104 D HA -0.143 4.506 4.640 0.015 0.000 0.196 104 D C 2.245 178.384 176.300 -0.267 0.000 0.992 104 D CA 0.746 54.758 54.000 0.021 0.000 0.833 104 D CB -0.279 40.643 40.800 0.203 0.000 0.954 104 D HN 0.404 nan 8.370 nan 0.000 0.455 105 I N 0.389 120.589 120.570 -0.616 0.000 2.127 105 I HA -0.285 3.894 4.170 0.015 0.000 0.241 105 I C 2.520 178.397 176.117 -0.399 0.000 1.075 105 I CA 1.088 61.812 61.300 -0.961 0.000 1.334 105 I CB -0.262 37.385 38.000 -0.588 0.000 1.040 105 I HN -0.034 nan 8.210 nan 0.000 0.405 106 M N -0.148 119.327 119.600 -0.209 0.000 2.319 106 M HA -0.136 4.353 4.480 0.015 0.000 0.265 106 M C 0.867 177.131 176.300 -0.060 0.000 1.068 106 M CA 1.275 56.514 55.300 -0.101 0.000 1.118 106 M CB -0.300 32.264 32.600 -0.059 0.000 1.395 106 M HN 0.144 nan 8.290 nan 0.000 0.435 107 D N 0.065 120.433 120.400 -0.053 0.000 2.339 107 D HA 0.071 4.720 4.640 0.015 0.000 0.217 107 D C 0.197 176.503 176.300 0.011 0.000 1.050 107 D CA 0.283 54.275 54.000 -0.012 0.000 0.856 107 D CB 0.070 40.873 40.800 0.005 0.000 0.922 107 D HN 0.075 nan 8.370 nan 0.000 0.518 108 S N -0.139 115.567 115.700 0.011 0.000 3.559 108 S HA -0.176 4.302 4.470 0.015 0.000 0.369 108 S C 0.428 175.125 174.600 0.161 0.000 0.987 108 S CA 0.208 58.475 58.200 0.113 0.000 1.187 108 S CB -1.643 61.601 63.200 0.073 0.000 0.914 108 S HN 0.175 nan 8.310 nan 0.000 0.480 109 S N -0.055 115.767 115.700 0.204 0.000 2.632 109 S HA 0.541 5.020 4.470 0.015 0.000 0.267 109 S C 1.534 176.255 174.600 0.202 0.000 1.276 109 S CA -0.690 57.614 58.200 0.174 0.000 0.998 109 S CB 0.922 64.212 63.200 0.149 0.000 0.953 109 S HN 0.419 nan 8.310 nan 0.000 0.547 110 L N 0.548 121.833 121.223 0.104 0.000 2.347 110 L HA 0.195 4.543 4.340 0.015 0.000 0.196 110 L C 1.063 177.964 176.870 0.051 0.000 1.072 110 L CA 0.373 55.239 54.840 0.044 0.000 0.817 110 L CB -0.153 41.916 42.059 0.016 0.000 1.029 110 L HN 0.719 nan 8.230 nan 0.000 0.478 111 T N -1.647 112.948 114.554 0.069 0.000 2.906 111 T HA 0.710 5.069 4.350 0.015 0.000 0.295 111 T C -0.787 173.970 174.700 0.094 0.000 1.075 111 T CA -0.755 61.391 62.100 0.077 0.000 1.005 111 T CB 2.982 71.876 68.868 0.044 0.000 1.136 111 T HN 0.030 nan 8.240 nan 0.000 0.498 112 R N 0.414 120.975 120.500 0.102 0.000 2.535 112 R HA 0.552 4.901 4.340 0.015 0.000 0.274 112 R C -0.501 175.832 176.300 0.055 0.000 1.090 112 R CA -0.497 55.661 56.100 0.096 0.000 0.930 112 R CB 0.705 31.097 30.300 0.154 0.000 1.223 112 R HN 0.827 nan 8.270 nan 0.000 0.441 113 R N 3.194 123.709 120.500 0.024 0.000 3.516 113 R HA -0.210 4.138 4.340 0.015 0.000 0.271 113 R C 0.519 176.804 176.300 -0.024 0.000 1.098 113 R CA 1.178 57.269 56.100 -0.015 0.000 0.732 113 R CB -1.818 28.459 30.300 -0.038 0.000 1.152 113 R HN 1.261 nan 8.270 nan 0.000 0.455 114 G N -0.458 108.339 108.800 -0.005 0.000 2.153 114 G HA2 -0.364 3.605 3.960 0.015 0.000 0.252 114 G HA3 -0.364 3.605 3.960 0.015 0.000 0.252 114 G C -0.068 174.832 174.900 0.000 0.000 0.994 114 G CA 0.872 45.970 45.100 -0.004 0.000 0.698 114 G HN 0.672 nan 8.290 nan 0.000 0.521 115 Q N -1.262 118.547 119.800 0.016 0.000 2.501 115 Q HA 0.728 5.077 4.340 0.015 0.000 0.288 115 Q C 0.049 176.121 176.000 0.120 0.000 1.051 115 Q CA -1.391 54.442 55.803 0.050 0.000 0.788 115 Q CB 1.838 30.567 28.738 -0.015 0.000 1.469 115 Q HN 0.413 nan 8.270 nan 0.000 0.416 116 I N 1.191 121.858 120.570 0.161 0.000 2.815 116 I HA -0.004 4.175 4.170 0.015 0.000 0.291 116 I C -0.200 176.063 176.117 0.243 0.000 1.209 116 I CA -0.370 61.013 61.300 0.139 0.000 1.431 116 I CB 0.485 38.531 38.000 0.077 0.000 1.351 116 I HN 0.778 nan 8.210 nan 0.000 0.585 117 C N 7.862 127.262 119.300 0.167 0.000 2.634 117 C HA -0.118 4.351 4.460 0.015 0.000 0.417 117 C C 1.675 176.823 174.990 0.265 0.000 1.334 117 C CA -0.250 58.938 59.018 0.282 0.000 1.829 117 C CB -0.021 27.910 27.740 0.319 0.000 2.665 117 C HN 1.038 nan 8.230 nan 0.000 0.614 118 W N 2.301 123.724 121.300 0.206 0.000 2.302 118 W HA -0.256 4.413 4.660 0.016 0.000 0.320 118 W C 2.158 178.666 176.519 -0.019 0.000 1.241 118 W CA 2.334 59.663 57.345 -0.027 0.000 1.264 118 W CB -0.555 28.949 29.460 0.073 0.000 1.154 118 W HN 1.007 nan 8.180 nan 0.000 0.483 119 Y N 0.872 121.122 120.300 -0.082 0.000 2.403 119 Y HA -0.181 4.378 4.550 0.015 0.000 0.291 119 Y C 2.241 178.031 175.900 -0.184 0.000 1.143 119 Y CA 1.665 59.657 58.100 -0.181 0.000 1.257 119 Y CB -1.160 37.285 38.460 -0.024 0.000 0.984 119 Y HN -0.028 nan 8.280 nan 0.000 0.550 120 Q N 1.389 120.734 119.800 -0.759 0.000 2.389 120 Q HA 0.035 4.384 4.340 0.015 0.000 0.204 120 Q C 0.144 175.925 176.000 -0.365 0.000 0.944 120 Q CA 0.453 55.876 55.803 -0.633 0.000 0.908 120 Q CB 0.046 28.451 28.738 -0.556 0.000 1.002 120 Q HN 0.527 nan 8.270 nan 0.000 0.493 121 K N 2.475 122.647 120.400 -0.379 0.000 2.447 121 K HA 0.059 4.388 4.320 0.015 0.000 0.281 121 K C -2.376 174.036 176.600 -0.315 0.000 1.031 121 K CA -1.354 54.723 56.287 -0.349 0.000 1.019 121 K CB 0.224 32.399 32.500 -0.542 0.000 0.918 121 K HN -0.089 nan 8.250 nan 0.000 0.476 122 P HA -0.092 nan 4.420 nan 0.000 0.262 122 P C 0.566 177.752 177.300 -0.190 0.000 1.182 122 P CA 0.848 63.848 63.100 -0.167 0.000 0.761 122 P CB 0.563 32.197 31.700 -0.111 0.000 0.795 123 G N 1.187 109.886 108.800 -0.169 0.000 2.199 123 G HA2 -0.287 3.681 3.960 0.015 0.000 0.254 123 G HA3 -0.287 3.681 3.960 0.015 0.000 0.254 123 G C 0.770 175.540 174.900 -0.218 0.000 0.982 123 G CA 0.319 45.326 45.100 -0.156 0.000 0.632 123 G HN 0.404 nan 8.290 nan 0.000 0.529 124 V N 0.584 120.291 119.914 -0.345 0.000 2.423 124 V HA 0.556 4.685 4.120 0.015 0.000 0.233 124 V C 2.635 178.577 176.094 -0.255 0.000 1.067 124 V CA 2.199 64.228 62.300 -0.451 0.000 1.073 124 V CB -1.047 30.178 31.823 -0.997 0.000 0.715 124 V HN 2.051 nan 8.190 nan 0.000 0.485 125 G N 0.310 108.976 108.800 -0.224 0.000 2.566 125 G HA2 -0.315 3.654 3.960 0.015 0.000 0.280 125 G HA3 -0.315 3.654 3.960 0.015 0.000 0.280 125 G C 0.586 175.495 174.900 0.016 0.000 1.225 125 G CA 0.515 45.576 45.100 -0.064 0.000 0.966 125 G HN 0.414 nan 8.290 nan 0.000 0.560 126 L N 1.109 122.354 121.223 0.036 0.000 2.551 126 L HA 0.048 4.397 4.340 0.015 0.000 0.228 126 L C 2.223 179.121 176.870 0.047 0.000 1.153 126 L CA 1.034 55.904 54.840 0.050 0.000 0.851 126 L CB -0.468 41.614 42.059 0.038 0.000 0.959 126 L HN 0.429 nan 8.230 nan 0.000 0.451 127 D N 0.971 121.387 120.400 0.027 0.000 2.271 127 D HA -0.187 4.462 4.640 0.015 0.000 0.207 127 D C 2.223 178.596 176.300 0.121 0.000 0.983 127 D CA 1.249 55.281 54.000 0.053 0.000 0.878 127 D CB 0.072 40.888 40.800 0.027 0.000 0.920 127 D HN 0.322 nan 8.370 nan 0.000 0.479 128 A N 0.421 123.322 122.820 0.135 0.000 2.024 128 A HA -0.183 4.146 4.320 0.015 0.000 0.220 128 A C 2.251 179.978 177.584 0.238 0.000 1.164 128 A CA 0.807 53.016 52.037 0.287 0.000 0.643 128 A CB -0.662 18.520 19.000 0.304 0.000 0.806 128 A HN 0.260 nan 8.150 nan 0.000 0.451 129 I N -0.365 120.293 120.570 0.147 0.000 2.163 129 I HA -0.290 3.889 4.170 0.015 0.000 0.243 129 I C 2.423 178.622 176.117 0.138 0.000 1.085 129 I CA 1.876 63.249 61.300 0.121 0.000 1.347 129 I CB -0.422 37.626 38.000 0.079 0.000 1.044 129 I HN 0.444 nan 8.210 nan 0.000 0.408 130 N N 0.710 119.485 118.700 0.125 0.000 2.216 130 N HA -0.183 4.566 4.740 0.015 0.000 0.183 130 N C 1.463 177.049 175.510 0.127 0.000 1.017 130 N CA 1.262 54.377 53.050 0.108 0.000 0.861 130 N CB -0.034 38.503 38.487 0.085 0.000 0.986 130 N HN 0.190 nan 8.380 nan 0.000 0.428 131 D N 0.194 120.702 120.400 0.178 0.000 2.104 131 D HA -0.159 4.489 4.640 0.015 0.000 0.194 131 D C 1.782 178.175 176.300 0.154 0.000 0.994 131 D CA 1.419 55.531 54.000 0.187 0.000 0.830 131 D CB -0.575 40.428 40.800 0.338 0.000 0.959 131 D HN 0.431 nan 8.370 nan 0.000 0.452 132 A N 1.410 124.353 122.820 0.205 0.000 1.877 132 A HA -0.216 4.113 4.320 0.015 0.000 0.216 132 A C 1.994 179.748 177.584 0.283 0.000 1.186 132 A CA 1.503 53.704 52.037 0.274 0.000 0.620 132 A CB -0.516 18.645 19.000 0.269 0.000 0.822 132 A HN 0.128 nan 8.150 nan 0.000 0.443 133 N N 0.195 118.999 118.700 0.173 0.000 2.149 133 N HA -0.124 4.625 4.740 0.015 0.000 0.188 133 N C 1.656 177.134 175.510 -0.054 0.000 1.019 133 N CA 1.304 54.364 53.050 0.016 0.000 0.857 133 N CB -0.541 37.969 38.487 0.039 0.000 0.997 133 N HN 0.516 nan 8.380 nan 0.000 0.426 134 L N 0.674 121.904 121.223 0.012 0.000 2.046 134 L HA -0.116 4.233 4.340 0.015 0.000 0.208 134 L C 2.235 179.097 176.870 -0.014 0.000 1.077 134 L CA 0.793 55.634 54.840 0.002 0.000 0.747 134 L CB -0.375 41.701 42.059 0.028 0.000 0.896 134 L HN 0.141 nan 8.230 nan 0.000 0.432 135 L N -0.499 120.731 121.223 0.012 0.000 2.042 135 L HA -0.272 4.077 4.340 0.015 0.000 0.210 135 L C 2.617 179.453 176.870 -0.057 0.000 1.076 135 L CA 1.459 56.315 54.840 0.026 0.000 0.749 135 L CB -0.540 41.588 42.059 0.115 0.000 0.893 135 L HN 0.364 nan 8.230 nan 0.000 0.432 136 E N 0.363 120.421 120.200 -0.238 0.000 2.058 136 E HA -0.271 4.088 4.350 0.015 0.000 0.194 136 E C 2.216 178.721 176.600 -0.158 0.000 0.997 136 E CA 1.294 57.415 56.400 -0.465 0.000 0.801 136 E CB -0.019 28.952 29.700 -1.215 0.000 0.746 136 E HN 0.466 nan 8.360 nan 0.000 0.450 137 A N 0.586 123.356 122.820 -0.083 0.000 1.940 137 A HA -0.217 4.112 4.320 0.015 0.000 0.219 137 A C 2.465 180.062 177.584 0.022 0.000 1.176 137 A CA 1.488 53.544 52.037 0.031 0.000 0.631 137 A CB -0.979 18.019 19.000 -0.004 0.000 0.814 137 A HN 0.534 nan 8.150 nan 0.000 0.446 138 C N -0.722 118.559 119.300 -0.032 0.000 2.411 138 C HA -0.094 4.375 4.460 0.015 0.000 0.279 138 C C 2.507 177.432 174.990 -0.109 0.000 1.288 138 C CA 0.845 59.837 59.018 -0.042 0.000 1.764 138 C CB -1.462 26.263 27.740 -0.025 0.000 1.974 138 C HN 0.638 nan 8.230 nan 0.000 0.498 139 I N -0.351 120.077 120.570 -0.237 0.000 2.127 139 I HA -0.271 3.908 4.170 0.015 0.000 0.241 139 I C 2.233 178.006 176.117 -0.573 0.000 1.075 139 I CA 2.056 63.043 61.300 -0.522 0.000 1.334 139 I CB -0.515 36.941 38.000 -0.906 0.000 1.040 139 I HN 0.344 nan 8.210 nan 0.000 0.405 140 Y N 0.314 120.536 120.300 -0.129 0.000 2.314 140 Y HA -0.078 4.478 4.550 0.011 0.000 0.293 140 Y C 2.702 178.595 175.900 -0.012 0.000 1.129 140 Y CA 0.691 58.742 58.100 -0.081 0.000 1.201 140 Y CB -0.397 38.019 38.460 -0.073 0.000 0.999 140 Y HN -0.018 nan 8.280 nan 0.000 0.541 141 R N 0.239 120.784 120.500 0.075 0.000 2.080 141 R HA -0.177 4.171 4.340 0.015 0.000 0.236 141 R C 2.123 178.461 176.300 0.064 0.000 1.137 141 R CA 1.749 57.886 56.100 0.060 0.000 0.943 141 R CB -0.753 29.567 30.300 0.033 0.000 0.846 141 R HN 0.371 nan 8.270 nan 0.000 0.431 142 L N 0.650 121.893 121.223 0.033 0.000 2.093 142 L HA -0.168 4.181 4.340 0.015 0.000 0.208 142 L C 2.443 179.393 176.870 0.133 0.000 1.085 142 L CA 1.030 55.930 54.840 0.100 0.000 0.755 142 L CB -0.408 41.651 42.059 -0.000 0.000 0.904 142 L HN 0.201 nan 8.230 nan 0.000 0.435 143 L N -0.169 121.085 121.223 0.052 0.000 2.083 143 L HA -0.239 4.110 4.340 0.015 0.000 0.209 143 L C 2.677 179.720 176.870 0.288 0.000 1.083 143 L CA 1.341 56.279 54.840 0.163 0.000 0.752 143 L CB -0.466 41.660 42.059 0.112 0.000 0.899 143 L HN 0.245 nan 8.230 nan 0.000 0.433 144 K N 0.640 121.186 120.400 0.244 0.000 2.025 144 K HA -0.150 4.179 4.320 0.015 0.000 0.207 144 K C 2.152 178.728 176.600 -0.040 0.000 1.049 144 K CA 1.195 57.551 56.287 0.115 0.000 0.933 144 K CB -0.071 32.509 32.500 0.133 0.000 0.714 144 K HN 0.170 nan 8.250 nan 0.000 0.438 145 L N -0.432 120.794 121.223 0.006 0.000 2.131 145 L HA -0.186 4.163 4.340 0.015 0.000 0.210 145 L C 1.728 178.458 176.870 -0.234 0.000 1.092 145 L CA 1.303 56.075 54.840 -0.114 0.000 0.759 145 L CB -0.192 41.813 42.059 -0.090 0.000 0.903 145 L HN 0.272 nan 8.230 nan 0.000 0.435 146 Y N -3.197 117.044 120.300 -0.098 0.000 2.535 146 Y HA 0.070 4.628 4.550 0.012 0.000 0.264 146 Y C 1.942 177.769 175.900 -0.120 0.000 1.087 146 Y CA 0.049 58.079 58.100 -0.117 0.000 1.285 146 Y CB 0.388 38.770 38.460 -0.130 0.000 1.200 146 Y HN 0.057 nan 8.280 nan 0.000 0.514 147 C N -0.958 118.357 119.300 0.024 0.000 3.491 147 C HA 0.235 4.704 4.460 0.015 0.000 0.298 147 C C 2.306 177.073 174.990 -0.371 0.000 1.424 147 C CA -0.497 58.492 59.018 -0.048 0.000 1.772 147 C CB -0.502 27.369 27.740 0.218 0.000 2.447 147 C HN 0.409 nan 8.230 nan 0.000 0.670 148 R N 1.823 121.944 120.500 -0.633 0.000 2.152 148 R HA -0.087 4.262 4.340 0.015 0.000 0.232 148 R C 1.259 177.164 176.300 -0.657 0.000 1.117 148 R CA 1.322 56.710 56.100 -1.187 0.000 0.981 148 R CB 0.090 29.920 30.300 -0.783 0.000 0.870 148 R HN 0.414 nan 8.270 nan 0.000 0.451 149 E N 0.327 120.294 120.200 -0.387 0.000 2.463 149 E HA 0.046 4.405 4.350 0.015 0.000 0.193 149 E C -0.259 176.202 176.600 -0.233 0.000 1.041 149 E CA 0.155 56.405 56.400 -0.250 0.000 0.879 149 E CB 0.472 30.063 29.700 -0.181 0.000 0.997 149 E HN 0.283 nan 8.360 nan 0.000 0.478 150 Q N 0.972 120.571 119.800 -0.335 0.000 2.230 150 Q HA 0.175 4.524 4.340 0.015 0.000 0.248 150 Q C -1.487 174.300 176.000 -0.355 0.000 0.915 150 Q CA -1.939 53.587 55.803 -0.460 0.000 0.900 150 Q CB 0.980 29.094 28.738 -1.040 0.000 1.229 150 Q HN -0.059 nan 8.270 nan 0.000 0.439 151 P HA -0.131 nan 4.420 nan 0.000 0.225 151 P C 0.564 177.884 177.300 0.033 0.000 1.148 151 P CA 1.274 64.347 63.100 -0.045 0.000 0.779 151 P CB 0.006 31.732 31.700 0.042 0.000 0.780 152 Y N -4.030 116.340 120.300 0.116 0.000 2.466 152 Y HA 0.195 4.760 4.550 0.026 0.000 0.272 152 Y C 2.216 178.179 175.900 0.105 0.000 1.169 152 Y CA -1.272 56.889 58.100 0.102 0.000 1.285 152 Y CB -1.592 36.962 38.460 0.156 0.000 1.078 152 Y HN -0.219 nan 8.280 nan 0.000 0.523 153 Y N 1.487 121.742 120.300 -0.075 0.000 2.070 153 Y HA -0.262 4.281 4.550 -0.011 0.000 0.280 153 Y C 2.183 178.107 175.900 0.039 0.000 1.148 153 Y CA 1.825 59.916 58.100 -0.016 0.000 1.125 153 Y CB -0.708 37.699 38.460 -0.088 0.000 0.975 153 Y HN 0.318 nan 8.280 nan 0.000 0.492 154 L N 1.117 122.288 121.223 -0.087 0.000 2.046 154 L HA -0.223 4.126 4.340 0.015 0.000 0.208 154 L C 1.990 178.760 176.870 -0.166 0.000 1.077 154 L CA 1.929 56.653 54.840 -0.193 0.000 0.747 154 L CB -1.209 40.796 42.059 -0.090 0.000 0.896 154 L HN 0.219 nan 8.230 nan 0.000 0.432 155 N N -0.154 118.439 118.700 -0.178 0.000 2.060 155 N HA -0.243 4.506 4.740 0.015 0.000 0.195 155 N C 1.905 177.220 175.510 -0.325 0.000 1.028 155 N CA 2.078 54.865 53.050 -0.439 0.000 0.861 155 N CB -0.517 37.492 38.487 -0.796 0.000 1.029 155 N HN 0.397 nan 8.380 nan 0.000 0.428 156 L N 0.570 121.759 121.223 -0.056 0.000 2.027 156 L HA -0.059 4.290 4.340 0.015 0.000 0.206 156 L C 2.272 179.295 176.870 0.254 0.000 1.074 156 L CA 0.727 55.678 54.840 0.186 0.000 0.745 156 L CB -0.380 41.875 42.059 0.327 0.000 0.898 156 L HN 0.125 nan 8.230 nan 0.000 0.433 157 I N -0.056 120.547 120.570 0.056 0.000 2.163 157 I HA -0.321 3.858 4.170 0.015 0.000 0.243 157 I C 2.461 178.685 176.117 0.177 0.000 1.085 157 I CA 1.586 62.949 61.300 0.104 0.000 1.347 157 I CB -0.329 37.573 38.000 -0.164 0.000 1.044 157 I HN 0.333 nan 8.210 nan 0.000 0.408 158 E N 0.356 120.583 120.200 0.046 0.000 2.150 158 E HA -0.235 4.124 4.350 0.015 0.000 0.193 158 E C 2.091 178.761 176.600 0.116 0.000 0.985 158 E CA 0.942 57.369 56.400 0.045 0.000 0.814 158 E CB -0.105 29.577 29.700 -0.030 0.000 0.752 158 E HN 0.311 nan 8.360 nan 0.000 0.466 159 L N 0.173 121.473 121.223 0.129 0.000 2.027 159 L HA -0.126 4.223 4.340 0.015 0.000 0.206 159 L C 1.918 178.884 176.870 0.160 0.000 1.074 159 L CA 1.643 56.581 54.840 0.163 0.000 0.745 159 L CB -0.475 41.684 42.059 0.167 0.000 0.898 159 L HN -0.015 nan 8.230 nan 0.000 0.433 160 F N -0.638 119.433 119.950 0.201 0.000 2.134 160 F HA -0.190 4.344 4.527 0.011 0.000 0.299 160 F C 2.245 178.238 175.800 0.320 0.000 1.097 160 F CA 1.597 59.746 58.000 0.249 0.000 1.264 160 F CB -0.476 38.629 39.000 0.175 0.000 1.001 160 F HN 0.029 nan 8.300 nan 0.000 0.479 161 L N -0.543 120.951 121.223 0.452 0.000 2.027 161 L HA -0.237 4.112 4.340 0.015 0.000 0.206 161 L C 2.526 179.553 176.870 0.261 0.000 1.074 161 L CA 1.630 56.650 54.840 0.300 0.000 0.745 161 L CB -0.731 41.404 42.059 0.126 0.000 0.898 161 L HN 0.150 nan 8.230 nan 0.000 0.433 162 Q N -0.139 119.788 119.800 0.211 0.000 2.079 162 Q HA -0.162 4.187 4.340 0.015 0.000 0.200 162 Q C 2.178 178.300 176.000 0.203 0.000 0.974 162 Q CA 2.100 58.017 55.803 0.190 0.000 0.840 162 Q CB -0.044 28.771 28.738 0.127 0.000 0.898 162 Q HN 0.312 nan 8.270 nan 0.000 0.430 163 S N 0.061 115.889 115.700 0.213 0.000 2.383 163 S HA -0.152 4.327 4.470 0.015 0.000 0.229 163 S C 2.052 176.823 174.600 0.285 0.000 1.030 163 S CA 1.215 59.551 58.200 0.226 0.000 1.002 163 S CB -0.345 62.994 63.200 0.233 0.000 0.829 163 S HN 0.441 nan 8.310 nan 0.000 0.467 164 S N 0.499 116.441 115.700 0.402 0.000 2.356 164 S HA -0.106 4.373 4.470 0.015 0.000 0.223 164 S C 1.634 176.501 174.600 0.444 0.000 1.032 164 S CA 1.221 59.761 58.200 0.567 0.000 1.005 164 S CB -0.502 63.045 63.200 0.578 0.000 0.867 164 S HN 0.640 nan 8.310 nan 0.000 0.449 165 Y N 2.428 122.862 120.300 0.222 0.000 2.128 165 Y HA -0.235 4.324 4.550 0.016 0.000 0.284 165 Y C 2.364 178.331 175.900 0.110 0.000 1.154 165 Y CA 1.780 59.967 58.100 0.145 0.000 1.149 165 Y CB -0.746 37.766 38.460 0.087 0.000 0.976 165 Y HN 0.259 nan 8.280 nan 0.000 0.505 166 Q N -0.748 119.022 119.800 -0.050 0.000 2.061 166 Q HA -0.191 4.158 4.340 0.015 0.000 0.204 166 Q C 2.174 178.181 176.000 0.011 0.000 0.984 166 Q CA 2.575 58.319 55.803 -0.097 0.000 0.846 166 Q CB -0.437 28.099 28.738 -0.336 0.000 0.902 166 Q HN 0.444 nan 8.270 nan 0.000 0.421 167 T N 1.027 115.571 114.554 -0.016 0.000 2.720 167 T HA -0.192 4.167 4.350 0.015 0.000 0.268 167 T C 1.490 176.054 174.700 -0.228 0.000 1.037 167 T CA 1.666 63.642 62.100 -0.207 0.000 1.144 167 T CB -0.225 68.226 68.868 -0.695 0.000 0.864 167 T HN 0.346 nan 8.240 nan 0.000 0.444 168 E N 0.292 120.440 120.200 -0.087 0.000 2.106 168 E HA -0.048 4.311 4.350 0.015 0.000 0.192 168 E C 2.163 178.700 176.600 -0.104 0.000 0.984 168 E CA 0.577 56.975 56.400 -0.003 0.000 0.806 168 E CB -0.104 29.691 29.700 0.158 0.000 0.750 168 E HN 0.304 nan 8.360 nan 0.000 0.458 169 I N 0.839 121.263 120.570 -0.243 0.000 2.226 169 I HA -0.159 4.020 4.170 0.015 0.000 0.245 169 I C 2.454 178.470 176.117 -0.168 0.000 1.100 169 I CA 1.520 62.645 61.300 -0.292 0.000 1.374 169 I CB -1.503 36.179 38.000 -0.530 0.000 1.057 169 I HN 0.158 nan 8.210 nan 0.000 0.413 170 G N 0.042 108.813 108.800 -0.047 0.000 2.418 170 G HA2 -0.236 3.733 3.960 0.015 0.000 0.217 170 G HA3 -0.236 3.733 3.960 0.015 0.000 0.217 170 G C 1.514 176.402 174.900 -0.020 0.000 1.158 170 G CA 0.233 45.355 45.100 0.036 0.000 0.771 170 G HN 0.320 nan 8.290 nan 0.000 0.545 171 Q N 0.354 120.120 119.800 -0.057 0.000 2.096 171 Q HA -0.106 4.243 4.340 0.015 0.000 0.204 171 Q C 2.844 178.830 176.000 -0.023 0.000 0.982 171 Q CA 1.796 57.571 55.803 -0.046 0.000 0.850 171 Q CB -1.078 27.628 28.738 -0.054 0.000 0.901 171 Q HN 0.455 nan 8.270 nan 0.000 0.422 172 T N 2.052 116.587 114.554 -0.033 0.000 2.684 172 T HA -0.130 4.229 4.350 0.015 0.000 0.267 172 T C 2.106 176.796 174.700 -0.018 0.000 1.036 172 T CA 1.122 63.207 62.100 -0.024 0.000 1.148 172 T CB -0.353 68.490 68.868 -0.041 0.000 0.863 172 T HN 0.184 nan 8.240 nan 0.000 0.436 173 L N 1.106 122.309 121.223 -0.033 0.000 2.012 173 L HA -0.157 4.191 4.340 0.015 0.000 0.210 173 L C 2.742 179.625 176.870 0.022 0.000 1.073 173 L CA 1.596 56.429 54.840 -0.011 0.000 0.748 173 L CB -0.722 41.321 42.059 -0.027 0.000 0.891 173 L HN 0.384 nan 8.230 nan 0.000 0.431 174 D N 0.696 121.105 120.400 0.015 0.000 2.106 174 D HA -0.224 4.425 4.640 0.015 0.000 0.191 174 D C 2.230 178.558 176.300 0.048 0.000 0.997 174 D CA 1.699 55.716 54.000 0.029 0.000 0.834 174 D CB 0.077 40.884 40.800 0.012 0.000 0.956 174 D HN 0.303 nan 8.370 nan 0.000 0.448 175 L N 0.265 121.508 121.223 0.033 0.000 2.109 175 L HA -0.079 4.270 4.340 0.015 0.000 0.207 175 L C 2.769 179.671 176.870 0.052 0.000 1.086 175 L CA 0.301 55.164 54.840 0.038 0.000 0.760 175 L CB -0.228 41.844 42.059 0.021 0.000 0.910 175 L HN 0.086 nan 8.230 nan 0.000 0.437 176 L N -0.763 120.488 121.223 0.047 0.000 2.156 176 L HA -0.118 4.231 4.340 0.015 0.000 0.208 176 L C 2.175 179.093 176.870 0.080 0.000 1.095 176 L CA 1.103 55.973 54.840 0.050 0.000 0.770 176 L CB -0.460 41.618 42.059 0.032 0.000 0.914 176 L HN 0.245 nan 8.230 nan 0.000 0.439 177 T N -0.837 113.784 114.554 0.113 0.000 3.113 177 T HA 0.176 4.535 4.350 0.015 0.000 0.256 177 T C 0.847 175.721 174.700 0.291 0.000 1.131 177 T CA 0.708 62.925 62.100 0.195 0.000 1.074 177 T CB 0.118 69.117 68.868 0.218 0.000 0.944 177 T HN 0.289 nan 8.240 nan 0.000 0.516 178 A N 2.586 125.526 122.820 0.200 0.000 3.253 178 A HA 0.475 4.804 4.320 0.015 0.000 0.290 178 A C -2.738 174.925 177.584 0.132 0.000 0.950 178 A CA -1.321 50.844 52.037 0.214 0.000 0.986 178 A CB 0.395 19.492 19.000 0.162 0.000 1.104 178 A HN 0.124 nan 8.150 nan 0.000 0.481 179 P HA 0.376 nan 4.420 nan 0.000 0.271 179 P C 0.060 177.397 177.300 0.061 0.000 1.216 179 P CA 0.466 63.607 63.100 0.068 0.000 0.771 179 P CB 0.546 32.276 31.700 0.050 0.000 0.864 180 Q N 1.636 121.460 119.800 0.039 0.000 2.332 180 Q HA 0.411 4.760 4.340 0.015 0.000 0.263 180 Q C 1.458 177.471 176.000 0.022 0.000 0.979 180 Q CA 0.137 55.956 55.803 0.026 0.000 0.885 180 Q CB -0.821 27.926 28.738 0.015 0.000 1.218 180 Q HN 0.917 nan 8.270 nan 0.000 0.405 181 G N 1.004 109.815 108.800 0.017 0.000 2.180 181 G HA2 -0.241 3.728 3.960 0.015 0.000 0.263 181 G HA3 -0.241 3.728 3.960 0.015 0.000 0.263 181 G C 0.217 175.127 174.900 0.018 0.000 0.989 181 G CA 0.555 45.663 45.100 0.012 0.000 0.692 181 G HN 1.188 nan 8.290 nan 0.000 0.526 182 N N -0.568 118.149 118.700 0.028 0.000 2.716 182 N HA 0.538 5.287 4.740 0.015 0.000 0.253 182 N C -0.012 175.512 175.510 0.024 0.000 1.170 182 N CA 0.477 53.540 53.050 0.021 0.000 0.807 182 N CB 0.726 39.225 38.487 0.020 0.000 1.183 182 N HN 0.861 nan 8.380 nan 0.000 0.524 183 V N 1.157 121.082 119.914 0.018 0.000 2.356 183 V HA 0.391 4.519 4.120 0.015 0.000 0.258 183 V C -0.152 175.903 176.094 -0.064 0.000 1.065 183 V CA -0.117 62.191 62.300 0.014 0.000 0.935 183 V CB 0.539 32.387 31.823 0.043 0.000 1.061 183 V HN 0.428 nan 8.190 nan 0.000 0.484 184 D N 3.910 124.215 120.400 -0.158 0.000 2.469 184 D HA 0.480 5.129 4.640 0.015 0.000 0.251 184 D C 0.746 176.742 176.300 -0.507 0.000 1.173 184 D CA -0.220 53.647 54.000 -0.222 0.000 0.882 184 D CB 1.864 42.577 40.800 -0.145 0.000 1.129 184 D HN 0.389 nan 8.370 nan 0.000 0.549 185 L N 2.534 123.510 121.223 -0.413 0.000 2.313 185 L HA -0.027 4.322 4.340 0.015 0.000 0.214 185 L C 2.305 178.991 176.870 -0.306 0.000 1.119 185 L CA 0.231 54.758 54.840 -0.520 0.000 0.809 185 L CB 0.005 41.906 42.059 -0.264 0.000 0.933 185 L HN 0.304 nan 8.230 nan 0.000 0.449 186 V N 0.359 120.183 119.914 -0.150 0.000 2.453 186 V HA -0.310 3.819 4.120 0.015 0.000 0.252 186 V C 2.440 178.495 176.094 -0.065 0.000 1.068 186 V CA 1.859 64.127 62.300 -0.054 0.000 1.070 186 V CB -0.713 31.090 31.823 -0.033 0.000 0.664 186 V HN 0.495 nan 8.190 nan 0.000 0.461 187 R N -1.034 119.373 120.500 -0.155 0.000 2.276 187 R HA 0.041 4.390 4.340 0.015 0.000 0.203 187 R C 0.314 176.701 176.300 0.147 0.000 1.017 187 R CA 0.297 56.375 56.100 -0.037 0.000 1.010 187 R CB -0.087 30.180 30.300 -0.055 0.000 0.900 187 R HN 0.354 nan 8.270 nan 0.000 0.469 188 F N 2.204 122.170 119.950 0.027 0.000 2.605 188 F HA 0.116 4.651 4.527 0.015 0.000 0.352 188 F C 0.942 176.749 175.800 0.011 0.000 1.236 188 F CA -0.917 57.096 58.000 0.021 0.000 1.267 188 F CB -0.767 38.213 39.000 -0.034 0.000 1.632 188 F HN -0.110 nan 8.300 nan 0.000 0.639 189 T N -3.168 111.509 114.554 0.206 0.000 2.944 189 T HA 0.282 4.641 4.350 0.015 0.000 0.284 189 T C 1.176 175.953 174.700 0.127 0.000 1.010 189 T CA -0.693 61.479 62.100 0.121 0.000 1.025 189 T CB 1.961 70.886 68.868 0.095 0.000 1.079 189 T HN 0.453 nan 8.240 nan 0.000 0.516 190 E N 0.169 120.418 120.200 0.081 0.000 2.153 190 E HA -0.164 4.195 4.350 0.015 0.000 0.194 190 E C 1.961 178.664 176.600 0.172 0.000 0.988 190 E CA 1.019 57.485 56.400 0.110 0.000 0.811 190 E CB 0.018 29.749 29.700 0.052 0.000 0.746 190 E HN 0.743 nan 8.360 nan 0.000 0.466 191 K N 0.483 120.959 120.400 0.126 0.000 2.062 191 K HA -0.190 4.139 4.320 0.015 0.000 0.205 191 K C 2.268 178.943 176.600 0.126 0.000 1.051 191 K CA 1.138 57.494 56.287 0.115 0.000 0.941 191 K CB -0.019 32.531 32.500 0.084 0.000 0.719 191 K HN -0.129 nan 8.250 nan 0.000 0.440 192 R N 0.080 120.661 120.500 0.134 0.000 2.081 192 R HA -0.178 4.171 4.340 0.015 0.000 0.235 192 R C 2.120 178.502 176.300 0.136 0.000 1.131 192 R CA 1.733 57.912 56.100 0.131 0.000 0.960 192 R CB -1.134 29.255 30.300 0.149 0.000 0.856 192 R HN 0.379 nan 8.270 nan 0.000 0.436 193 Y N 1.168 121.517 120.300 0.081 0.000 2.097 193 Y HA -0.244 4.316 4.550 0.015 0.000 0.282 193 Y C 1.758 177.714 175.900 0.093 0.000 1.152 193 Y CA 2.352 60.497 58.100 0.076 0.000 1.136 193 Y CB -0.139 38.360 38.460 0.065 0.000 0.975 193 Y HN 0.059 nan 8.280 nan 0.000 0.498 194 K N -0.467 120.009 120.400 0.125 0.000 2.063 194 K HA -0.159 4.170 4.320 0.015 0.000 0.208 194 K C 2.279 178.884 176.600 0.009 0.000 1.048 194 K CA 1.694 58.023 56.287 0.070 0.000 0.928 194 K CB -0.287 32.301 32.500 0.147 0.000 0.713 194 K HN 0.219 nan 8.250 nan 0.000 0.442 195 S N 1.224 116.962 115.700 0.064 0.000 2.356 195 S HA -0.116 4.363 4.470 0.015 0.000 0.223 195 S C 1.990 176.676 174.600 0.144 0.000 1.032 195 S CA 1.167 59.450 58.200 0.138 0.000 1.005 195 S CB -0.282 62.994 63.200 0.127 0.000 0.867 195 S HN 0.191 nan 8.310 nan 0.000 0.449 196 I N 1.747 122.326 120.570 0.014 0.000 2.127 196 I HA -0.197 3.982 4.170 0.015 0.000 0.241 196 I C 2.458 178.553 176.117 -0.037 0.000 1.075 196 I CA 1.455 62.744 61.300 -0.017 0.000 1.334 196 I CB -0.640 37.308 38.000 -0.086 0.000 1.040 196 I HN 0.279 nan 8.210 nan 0.000 0.405 197 V N -1.215 118.578 119.914 -0.201 0.000 2.719 197 V HA -0.164 3.965 4.120 0.015 0.000 0.252 197 V C 2.400 178.464 176.094 -0.050 0.000 1.065 197 V CA 1.458 63.659 62.300 -0.166 0.000 1.086 197 V CB -0.799 30.826 31.823 -0.330 0.000 0.700 197 V HN 0.396 nan 8.190 nan 0.000 0.467 198 K N -0.383 119.988 120.400 -0.048 0.000 2.032 198 K HA -0.203 4.126 4.320 0.015 0.000 0.209 198 K C 2.115 178.639 176.600 -0.126 0.000 1.048 198 K CA 2.345 58.538 56.287 -0.157 0.000 0.927 198 K CB -0.451 31.947 32.500 -0.169 0.000 0.712 198 K HN 0.567 nan 8.250 nan 0.000 0.441 199 Y N 0.905 121.284 120.300 0.131 0.000 2.243 199 Y HA -0.112 4.447 4.550 0.014 0.000 0.293 199 Y C 2.283 178.284 175.900 0.168 0.000 1.124 199 Y CA 1.764 60.014 58.100 0.250 0.000 1.159 199 Y CB 0.060 38.586 38.460 0.110 0.000 1.008 199 Y HN 0.189 nan 8.280 nan 0.000 0.527 200 K N -1.643 118.880 120.400 0.205 0.000 2.305 200 K HA 0.048 4.377 4.320 0.015 0.000 0.199 200 K C 1.008 177.724 176.600 0.194 0.000 1.047 200 K CA 1.771 58.116 56.287 0.097 0.000 0.976 200 K CB -0.021 32.499 32.500 0.033 0.000 0.765 200 K HN 0.053 nan 8.250 nan 0.000 0.474 201 T N -0.487 114.211 114.554 0.240 0.000 3.176 201 T HA 0.264 4.623 4.350 0.015 0.000 0.259 201 T C 1.842 176.658 174.700 0.193 0.000 0.978 201 T CA 0.222 62.498 62.100 0.292 0.000 1.050 201 T CB 0.134 69.141 68.868 0.233 0.000 1.136 201 T HN 0.256 nan 8.240 nan 0.000 0.465 202 A N 1.083 123.955 122.820 0.088 0.000 1.902 202 A HA 0.072 4.401 4.320 0.015 0.000 0.217 202 A C 1.860 179.443 177.584 -0.001 0.000 1.181 202 A CA 1.432 53.460 52.037 -0.014 0.000 0.623 202 A CB -1.055 17.794 19.000 -0.251 0.000 0.818 202 A HN 0.435 nan 8.150 nan 0.000 0.443 203 F N -0.941 119.081 119.950 0.119 0.000 2.051 203 F HA -0.216 4.320 4.527 0.015 0.000 0.296 203 F C 2.451 178.383 175.800 0.221 0.000 1.122 203 F CA 2.059 60.166 58.000 0.179 0.000 1.201 203 F CB -0.842 38.236 39.000 0.130 0.000 0.978 203 F HN 0.532 nan 8.300 nan 0.000 0.472 204 Y N -1.396 119.046 120.300 0.236 0.000 2.475 204 Y HA 0.101 4.659 4.550 0.014 0.000 0.289 204 Y C 1.981 177.878 175.900 -0.004 0.000 1.121 204 Y CA 0.889 59.057 58.100 0.114 0.000 1.257 204 Y CB -0.818 37.696 38.460 0.090 0.000 1.026 204 Y HN -0.103 nan 8.280 nan 0.000 0.555 205 S N -0.364 114.952 115.700 -0.641 0.000 2.458 205 S HA 0.129 4.608 4.470 0.015 0.000 0.223 205 S C 0.949 174.992 174.600 -0.928 0.000 1.019 205 S CA 0.793 58.444 58.200 -0.915 0.000 0.937 205 S CB -0.206 62.413 63.200 -0.968 0.000 0.788 205 S HN 0.491 nan 8.310 nan 0.000 0.511 206 F N -1.472 118.354 119.950 -0.207 0.000 2.549 206 F HA 0.323 4.859 4.527 0.014 0.000 0.275 206 F C 1.831 177.619 175.800 -0.021 0.000 0.990 206 F CA -0.395 57.538 58.000 -0.112 0.000 1.274 206 F CB -0.462 38.490 39.000 -0.080 0.000 1.064 206 F HN 0.092 nan 8.300 nan 0.000 0.715 207 Y N 1.016 121.380 120.300 0.107 0.000 2.184 207 Y HA -0.110 4.448 4.550 0.013 0.000 0.290 207 Y C 2.240 178.178 175.900 0.064 0.000 1.129 207 Y CA 1.284 59.444 58.100 0.100 0.000 1.144 207 Y CB -0.664 37.879 38.460 0.139 0.000 0.995 207 Y HN 0.044 nan 8.280 nan 0.000 0.513 208 L N 1.809 122.967 121.223 -0.109 0.000 1.971 208 L HA -0.136 4.213 4.340 0.015 0.000 0.215 208 L C -0.767 175.915 176.870 -0.313 0.000 1.072 208 L CA 2.438 57.130 54.840 -0.247 0.000 0.758 208 L CB -1.880 40.109 42.059 -0.115 0.000 0.889 208 L HN 0.145 nan 8.230 nan 0.000 0.433 209 P HA -0.148 nan 4.420 nan 0.000 0.216 209 P C 2.156 179.331 177.300 -0.208 0.000 1.153 209 P CA 1.553 64.528 63.100 -0.208 0.000 0.848 209 P CB -0.210 31.362 31.700 -0.213 0.000 0.787 210 I N 0.284 120.718 120.570 -0.226 0.000 2.179 210 I HA -0.189 3.990 4.170 0.015 0.000 0.242 210 I C 2.491 178.430 176.117 -0.297 0.000 1.088 210 I CA 1.608 62.767 61.300 -0.235 0.000 1.357 210 I CB -1.852 36.037 38.000 -0.184 0.000 1.051 210 I HN -0.075 nan 8.210 nan 0.000 0.409 211 A N 1.084 123.635 122.820 -0.449 0.000 1.917 211 A HA -0.196 4.133 4.320 0.015 0.000 0.219 211 A C 2.601 180.085 177.584 -0.165 0.000 1.182 211 A CA 2.282 54.052 52.037 -0.446 0.000 0.633 211 A CB -0.820 17.676 19.000 -0.841 0.000 0.819 211 A HN 0.442 nan 8.150 nan 0.000 0.448 212 A N -0.229 122.530 122.820 -0.102 0.000 1.883 212 A HA 0.113 4.442 4.320 0.015 0.000 0.217 212 A C 2.531 180.119 177.584 0.007 0.000 1.186 212 A CA 2.343 54.408 52.037 0.047 0.000 0.624 212 A CB -1.075 17.938 19.000 0.022 0.000 0.822 212 A HN 1.134 nan 8.150 nan 0.000 0.444 213 A N -0.842 121.944 122.820 -0.057 0.000 1.930 213 A HA -0.069 4.260 4.320 0.015 0.000 0.217 213 A C 2.250 179.806 177.584 -0.047 0.000 1.175 213 A CA 1.718 53.744 52.037 -0.019 0.000 0.627 213 A CB -0.534 18.448 19.000 -0.031 0.000 0.815 213 A HN 0.533 nan 8.150 nan 0.000 0.443 214 M N -1.895 117.621 119.600 -0.140 0.000 2.080 214 M HA -0.205 4.284 4.480 0.015 0.000 0.260 214 M C 2.173 178.445 176.300 -0.047 0.000 1.068 214 M CA 1.923 57.115 55.300 -0.180 0.000 1.109 214 M CB -0.600 31.746 32.600 -0.424 0.000 1.342 214 M HN 0.590 nan 8.290 nan 0.000 0.405 215 Y N -0.236 120.112 120.300 0.080 0.000 2.200 215 Y HA -0.192 4.373 4.550 0.025 0.000 0.290 215 Y C 2.478 178.329 175.900 -0.081 0.000 1.137 215 Y CA 1.011 59.160 58.100 0.082 0.000 1.163 215 Y CB -0.285 38.235 38.460 0.099 0.000 0.988 215 Y HN 0.189 nan 8.280 nan 0.000 0.518 216 M N -0.646 118.851 119.600 -0.172 0.000 2.202 216 M HA -0.200 4.288 4.480 0.015 0.000 0.262 216 M C 2.063 178.330 176.300 -0.055 0.000 1.063 216 M CA 1.571 56.533 55.300 -0.564 0.000 1.097 216 M CB -0.294 32.043 32.600 -0.438 0.000 1.382 216 M HN 0.272 nan 8.290 nan 0.000 0.413 217 A N -0.247 122.587 122.820 0.023 0.000 2.278 217 A HA 0.412 4.741 4.320 0.015 0.000 0.212 217 A C 1.584 179.204 177.584 0.061 0.000 1.213 217 A CA 0.642 52.685 52.037 0.011 0.000 0.840 217 A CB -0.775 18.178 19.000 -0.078 0.000 0.866 217 A HN 0.657 nan 8.150 nan 0.000 0.489 218 G N -0.612 108.268 108.800 0.134 0.000 2.143 218 G HA2 -0.229 3.740 3.960 0.015 0.000 0.248 218 G HA3 -0.229 3.740 3.960 0.015 0.000 0.248 218 G C 0.074 175.064 174.900 0.151 0.000 0.991 218 G CA 0.311 45.514 45.100 0.172 0.000 0.689 218 G HN 0.545 nan 8.290 nan 0.000 0.522 219 I N 1.985 122.629 120.570 0.123 0.000 2.282 219 I HA 0.284 4.463 4.170 0.015 0.000 0.290 219 I C 0.625 176.862 176.117 0.200 0.000 1.090 219 I CA -0.128 61.229 61.300 0.094 0.000 1.231 219 I CB 0.810 38.799 38.000 -0.018 0.000 1.434 219 I HN 0.223 nan 8.210 nan 0.000 0.487 220 D N 3.473 124.030 120.400 0.261 0.000 2.469 220 D HA 0.073 4.722 4.640 0.015 0.000 0.213 220 D C 0.770 177.236 176.300 0.276 0.000 1.135 220 D CA -0.160 54.053 54.000 0.355 0.000 0.834 220 D CB 0.376 41.409 40.800 0.389 0.000 1.009 220 D HN 0.378 nan 8.370 nan 0.000 0.507 221 G N 0.204 109.154 108.800 0.249 0.000 2.406 221 G HA2 0.351 4.320 3.960 0.015 0.000 0.251 221 G HA3 0.351 4.320 3.960 0.015 0.000 0.251 221 G C 1.062 176.093 174.900 0.219 0.000 1.271 221 G CA 0.215 45.428 45.100 0.188 0.000 0.859 221 G HN 0.202 nan 8.290 nan 0.000 0.540 222 E N 1.432 121.724 120.200 0.153 0.000 2.085 222 E HA -0.177 4.182 4.350 0.015 0.000 0.194 222 E C 2.581 179.265 176.600 0.140 0.000 0.994 222 E CA 2.470 58.955 56.400 0.141 0.000 0.801 222 E CB -0.862 28.896 29.700 0.096 0.000 0.743 222 E HN 0.886 nan 8.360 nan 0.000 0.453 223 K N 0.614 121.081 120.400 0.112 0.000 2.057 223 K HA -0.130 4.199 4.320 0.015 0.000 0.207 223 K C 2.203 178.858 176.600 0.092 0.000 1.049 223 K CA 1.784 58.124 56.287 0.090 0.000 0.931 223 K CB -0.463 32.083 32.500 0.075 0.000 0.714 223 K HN 0.514 nan 8.250 nan 0.000 0.440 224 E N -0.149 120.114 120.200 0.105 0.000 2.072 224 E HA -0.076 4.283 4.350 0.015 0.000 0.191 224 E C 2.045 178.662 176.600 0.029 0.000 0.985 224 E CA 1.152 57.587 56.400 0.060 0.000 0.801 224 E CB -0.195 29.526 29.700 0.035 0.000 0.750 224 E HN 0.728 nan 8.360 nan 0.000 0.452 225 H N -0.484 118.623 119.070 0.062 0.000 2.389 225 H HA 0.043 4.610 4.556 0.018 0.000 0.299 225 H C 1.921 177.296 175.328 0.079 0.000 1.081 225 H CA 1.284 57.404 56.048 0.121 0.000 1.345 225 H CB 0.059 29.910 29.762 0.147 0.000 1.393 225 H HN 0.214 nan 8.280 nan 0.000 0.520 226 A N 1.466 124.355 122.820 0.115 0.000 1.898 226 A HA -0.171 4.158 4.320 0.015 0.000 0.216 226 A C 2.233 179.754 177.584 -0.106 0.000 1.181 226 A CA 1.347 53.381 52.037 -0.005 0.000 0.620 226 A CB -0.227 18.778 19.000 0.009 0.000 0.819 226 A HN 0.355 nan 8.150 nan 0.000 0.442 227 N N 0.699 119.357 118.700 -0.069 0.000 2.084 227 N HA -0.126 4.623 4.740 0.015 0.000 0.190 227 N C 1.939 177.332 175.510 -0.195 0.000 1.030 227 N CA 1.651 54.606 53.050 -0.157 0.000 0.849 227 N CB -0.713 37.802 38.487 0.046 0.000 1.012 227 N HN 0.449 nan 8.380 nan 0.000 0.423 228 A N 1.539 124.347 122.820 -0.019 0.000 1.873 228 A HA -0.217 4.112 4.320 0.015 0.000 0.218 228 A C 2.151 179.765 177.584 0.050 0.000 1.193 228 A CA 1.779 53.881 52.037 0.108 0.000 0.629 228 A CB -0.634 18.488 19.000 0.204 0.000 0.826 228 A HN 0.282 nan 8.150 nan 0.000 0.447 229 K N -0.649 119.761 120.400 0.016 0.000 2.113 229 K HA -0.188 4.140 4.320 0.015 0.000 0.208 229 K C 2.054 178.522 176.600 -0.220 0.000 1.047 229 K CA 1.544 57.765 56.287 -0.110 0.000 0.928 229 K CB -0.100 32.242 32.500 -0.263 0.000 0.716 229 K HN 0.243 nan 8.250 nan 0.000 0.446 230 K N 0.648 120.833 120.400 -0.359 0.000 2.103 230 K HA -0.138 4.191 4.320 0.015 0.000 0.207 230 K C 2.044 178.425 176.600 -0.364 0.000 1.048 230 K CA 1.366 57.356 56.287 -0.495 0.000 0.930 230 K CB -0.298 31.515 32.500 -1.145 0.000 0.716 230 K HN 0.243 nan 8.250 nan 0.000 0.444 231 I N 0.516 120.875 120.570 -0.352 0.000 2.235 231 I HA -0.219 3.960 4.170 0.015 0.000 0.241 231 I C 2.281 178.301 176.117 -0.163 0.000 1.085 231 I CA 0.844 61.966 61.300 -0.297 0.000 1.378 231 I CB -0.257 37.414 38.000 -0.548 0.000 1.076 231 I HN -0.029 nan 8.210 nan 0.000 0.415 232 L N 0.198 121.386 121.223 -0.058 0.000 2.093 232 L HA -0.167 4.182 4.340 0.015 0.000 0.208 232 L C 2.480 179.305 176.870 -0.075 0.000 1.085 232 L CA 1.126 55.999 54.840 0.054 0.000 0.755 232 L CB -0.469 41.740 42.059 0.251 0.000 0.904 232 L HN 0.266 nan 8.230 nan 0.000 0.435 233 L N -0.737 120.397 121.223 -0.147 0.000 2.093 233 L HA -0.143 4.206 4.340 0.015 0.000 0.208 233 L C 2.696 179.460 176.870 -0.176 0.000 1.085 233 L CA 0.885 55.583 54.840 -0.237 0.000 0.755 233 L CB -0.503 41.347 42.059 -0.347 0.000 0.904 233 L HN 0.287 nan 8.230 nan 0.000 0.435 234 E N -0.009 120.113 120.200 -0.129 0.000 2.072 234 E HA -0.184 4.175 4.350 0.015 0.000 0.191 234 E C 2.248 178.821 176.600 -0.045 0.000 0.985 234 E CA 1.202 57.578 56.400 -0.041 0.000 0.801 234 E CB -0.166 29.522 29.700 -0.021 0.000 0.750 234 E HN 0.502 nan 8.360 nan 0.000 0.452 235 M N -0.015 119.483 119.600 -0.170 0.000 2.117 235 M HA -0.108 4.381 4.480 0.015 0.000 0.262 235 M C 2.321 178.245 176.300 -0.628 0.000 1.065 235 M CA 1.719 56.829 55.300 -0.316 0.000 1.114 235 M CB -0.527 31.802 32.600 -0.451 0.000 1.361 235 M HN 0.133 nan 8.290 nan 0.000 0.408 236 G N -0.268 108.105 108.800 -0.711 0.000 2.422 236 G HA2 -0.245 3.724 3.960 0.015 0.000 0.218 236 G HA3 -0.245 3.724 3.960 0.015 0.000 0.218 236 G C 1.304 176.169 174.900 -0.059 0.000 1.146 236 G CA 1.026 45.875 45.100 -0.419 0.000 0.769 236 G HN 0.553 nan 8.290 nan 0.000 0.547 237 E N -0.372 119.809 120.200 -0.031 0.000 2.058 237 E HA -0.189 4.170 4.350 0.015 0.000 0.194 237 E C 2.083 178.761 176.600 0.129 0.000 0.997 237 E CA 1.045 57.486 56.400 0.069 0.000 0.801 237 E CB -0.324 29.443 29.700 0.112 0.000 0.746 237 E HN 0.373 nan 8.360 nan 0.000 0.450 238 F N 0.650 120.646 119.950 0.075 0.000 2.095 238 F HA -0.239 4.297 4.527 0.014 0.000 0.298 238 F C 1.960 177.776 175.800 0.027 0.000 1.104 238 F CA 1.790 59.861 58.000 0.118 0.000 1.232 238 F CB -0.644 38.397 39.000 0.069 0.000 0.987 238 F HN 0.140 nan 8.300 nan 0.000 0.475 239 F N 1.142 120.906 119.950 -0.309 0.000 2.126 239 F HA -0.241 4.295 4.527 0.016 0.000 0.299 239 F C 2.510 178.158 175.800 -0.254 0.000 1.096 239 F CA 2.154 59.982 58.000 -0.286 0.000 1.255 239 F CB -0.676 38.352 39.000 0.046 0.000 0.997 239 F HN 0.134 nan 8.300 nan 0.000 0.479 240 Q N 0.747 120.496 119.800 -0.085 0.000 2.123 240 Q HA -0.085 4.264 4.340 0.015 0.000 0.199 240 Q C 2.080 177.997 176.000 -0.139 0.000 0.966 240 Q CA 1.878 57.639 55.803 -0.070 0.000 0.845 240 Q CB -0.477 28.293 28.738 0.053 0.000 0.907 240 Q HN 0.609 nan 8.270 nan 0.000 0.439 241 I N 0.198 120.644 120.570 -0.206 0.000 2.163 241 I HA -0.336 3.843 4.170 0.015 0.000 0.243 241 I C 2.546 178.363 176.117 -0.500 0.000 1.085 241 I CA 1.659 62.710 61.300 -0.415 0.000 1.347 241 I CB -0.405 37.113 38.000 -0.803 0.000 1.044 241 I HN 0.396 nan 8.210 nan 0.000 0.408 242 Q N 0.761 120.164 119.800 -0.662 0.000 2.096 242 Q HA -0.312 4.037 4.340 0.015 0.000 0.204 242 Q C 1.802 177.530 176.000 -0.454 0.000 0.982 242 Q CA 2.433 57.886 55.803 -0.583 0.000 0.850 242 Q CB -0.083 28.197 28.738 -0.763 0.000 0.901 242 Q HN 0.471 nan 8.270 nan 0.000 0.422 243 D N 0.020 120.125 120.400 -0.491 0.000 2.104 243 D HA -0.186 4.463 4.640 0.015 0.000 0.194 243 D C 1.286 177.476 176.300 -0.184 0.000 0.994 243 D CA 1.711 55.508 54.000 -0.339 0.000 0.830 243 D CB -0.063 40.555 40.800 -0.305 0.000 0.959 243 D HN 0.275 nan 8.370 nan 0.000 0.452 244 D N -0.929 119.398 120.400 -0.122 0.000 2.123 244 D HA -0.201 4.448 4.640 0.015 0.000 0.196 244 D C 1.722 178.002 176.300 -0.033 0.000 0.992 244 D CA 0.839 54.826 54.000 -0.021 0.000 0.833 244 D CB -0.622 40.240 40.800 0.103 0.000 0.954 244 D HN 0.402 nan 8.370 nan 0.000 0.455 245 Y N 1.215 121.363 120.300 -0.253 0.000 2.145 245 Y HA -0.129 4.429 4.550 0.015 0.000 0.286 245 Y C 2.086 177.894 175.900 -0.153 0.000 1.145 245 Y CA 1.349 59.281 58.100 -0.280 0.000 1.148 245 Y CB -0.372 37.474 38.460 -1.024 0.000 0.981 245 Y HN -0.085 nan 8.280 nan 0.000 0.507 246 L N -0.021 121.035 121.223 -0.278 0.000 2.217 246 L HA -0.145 4.203 4.340 0.015 0.000 0.211 246 L C 2.058 178.799 176.870 -0.216 0.000 1.107 246 L CA 1.426 56.118 54.840 -0.246 0.000 0.783 246 L CB -0.613 41.363 42.059 -0.139 0.000 0.919 246 L HN 0.227 nan 8.230 nan 0.000 0.442 247 D N 0.220 120.511 120.400 -0.182 0.000 2.149 247 D HA -0.252 4.396 4.640 0.015 0.000 0.194 247 D C 1.945 178.120 176.300 -0.209 0.000 1.001 247 D CA 1.434 55.345 54.000 -0.147 0.000 0.849 247 D CB 0.202 40.944 40.800 -0.096 0.000 0.939 247 D HN 0.118 nan 8.370 nan 0.000 0.449 248 L N -1.619 119.409 121.223 -0.325 0.000 2.362 248 L HA 0.278 4.627 4.340 0.015 0.000 0.204 248 L C 1.199 177.687 176.870 -0.636 0.000 1.060 248 L CA 1.096 55.618 54.840 -0.531 0.000 0.827 248 L CB -0.170 41.444 42.059 -0.742 0.000 1.027 248 L HN 0.047 nan 8.230 nan 0.000 0.474 249 F N -0.488 119.213 119.950 -0.416 0.000 2.695 249 F HA 0.405 4.940 4.527 0.015 0.000 0.303 249 F C 1.444 177.048 175.800 -0.327 0.000 1.091 249 F CA -0.080 57.654 58.000 -0.442 0.000 1.300 249 F CB -0.148 38.376 39.000 -0.795 0.000 1.071 249 F HN 0.077 nan 8.300 nan 0.000 0.578 250 G N -0.110 108.594 108.800 -0.161 0.000 2.507 250 G HA2 0.120 4.089 3.960 0.015 0.000 0.271 250 G HA3 0.120 4.089 3.960 0.015 0.000 0.271 250 G C -1.198 173.676 174.900 -0.043 0.000 1.189 250 G CA -0.307 44.750 45.100 -0.071 0.000 0.859 250 G HN -0.048 nan 8.290 nan 0.000 0.542 251 D N 1.207 121.600 120.400 -0.011 0.000 2.316 251 D HA 0.258 4.907 4.640 0.015 0.000 0.245 251 D C -1.320 174.971 176.300 -0.015 0.000 1.171 251 D CA -2.203 51.793 54.000 -0.007 0.000 0.856 251 D CB 1.861 42.667 40.800 0.011 0.000 1.090 251 D HN -0.038 nan 8.370 nan 0.000 0.476 252 P HA -0.123 nan 4.420 nan 0.000 0.222 252 P C 1.332 178.626 177.300 -0.010 0.000 1.147 252 P CA 0.821 63.908 63.100 -0.020 0.000 0.790 252 P CB 0.081 31.768 31.700 -0.023 0.000 0.780 253 S N -1.293 114.403 115.700 -0.006 0.000 2.399 253 S HA -0.106 4.373 4.470 0.015 0.000 0.231 253 S C 1.856 176.455 174.600 -0.001 0.000 1.022 253 S CA 1.366 59.565 58.200 -0.002 0.000 0.983 253 S CB -1.575 61.626 63.200 0.002 0.000 0.803 253 S HN 0.004 nan 8.310 nan 0.000 0.480 254 V N 2.446 122.360 119.914 -0.000 0.000 2.426 254 V HA -0.048 4.081 4.120 0.015 0.000 0.242 254 V C 3.118 179.210 176.094 -0.005 0.000 1.036 254 V CA 1.779 64.080 62.300 0.002 0.000 1.044 254 V CB -1.150 30.679 31.823 0.010 0.000 0.688 254 V HN 0.828 nan 8.190 nan 0.000 0.462 255 T N -1.989 112.559 114.554 -0.010 0.000 3.023 255 T HA 0.126 4.485 4.350 0.015 0.000 0.266 255 T C 1.702 176.396 174.700 -0.011 0.000 1.093 255 T CA 1.264 63.355 62.100 -0.015 0.000 1.129 255 T CB 0.128 68.978 68.868 -0.029 0.000 0.899 255 T HN 1.020 nan 8.240 nan 0.000 0.491 256 G N 1.991 110.786 108.800 -0.008 0.000 2.184 256 G HA2 -0.268 3.701 3.960 0.015 0.000 0.264 256 G HA3 -0.268 3.701 3.960 0.015 0.000 0.264 256 G C -0.050 174.854 174.900 0.006 0.000 0.975 256 G CA 0.563 45.661 45.100 -0.004 0.000 0.642 256 G HN 1.030 nan 8.290 nan 0.000 0.536 257 K N -0.713 119.688 120.400 0.002 0.000 2.527 257 K HA 0.769 5.098 4.320 0.015 0.000 0.260 257 K C -0.938 175.658 176.600 -0.007 0.000 0.937 257 K CA -1.391 54.902 56.287 0.011 0.000 0.826 257 K CB 1.988 34.502 32.500 0.023 0.000 1.359 257 K HN -0.026 nan 8.250 nan 0.000 0.434 258 I N 2.162 122.730 120.570 -0.003 0.000 2.353 258 I HA 0.229 4.408 4.170 0.015 0.000 0.293 258 I C 0.826 176.926 176.117 -0.028 0.000 0.992 258 I CA 0.098 61.385 61.300 -0.022 0.000 1.268 258 I CB 1.149 39.139 38.000 -0.017 0.000 1.387 258 I HN 0.921 nan 8.210 nan 0.000 0.478 259 G N 3.498 112.264 108.800 -0.057 0.000 2.483 259 G HA2 0.368 4.337 3.960 0.015 0.000 0.248 259 G HA3 0.368 4.337 3.960 0.015 0.000 0.248 259 G C 0.513 175.374 174.900 -0.064 0.000 1.248 259 G CA 0.047 45.105 45.100 -0.069 0.000 0.838 259 G HN 0.754 nan 8.290 nan 0.000 0.566 260 T N -2.236 112.284 114.554 -0.056 0.000 3.186 260 T HA 0.139 4.498 4.350 0.015 0.000 0.292 260 T C 0.777 175.431 174.700 -0.077 0.000 0.915 260 T CA 0.071 62.136 62.100 -0.059 0.000 0.902 260 T CB 0.461 69.314 68.868 -0.025 0.000 1.192 260 T HN 0.287 nan 8.240 nan 0.000 0.563 261 D N 2.099 122.458 120.400 -0.069 0.000 2.117 261 D HA 0.039 4.688 4.640 0.015 0.000 0.197 261 D C 1.878 178.092 176.300 -0.143 0.000 0.987 261 D CA 0.959 54.927 54.000 -0.053 0.000 0.829 261 D CB -0.089 40.713 40.800 0.003 0.000 0.961 261 D HN 0.439 nan 8.370 nan 0.000 0.460 262 I N 0.614 121.054 120.570 -0.216 0.000 2.142 262 I HA -0.304 3.875 4.170 0.015 0.000 0.240 262 I C 2.376 178.144 176.117 -0.582 0.000 1.078 262 I CA 1.110 62.087 61.300 -0.538 0.000 1.343 262 I CB -0.229 37.567 38.000 -0.340 0.000 1.046 262 I HN -0.101 nan 8.210 nan 0.000 0.405 263 Q N 0.602 120.217 119.800 -0.308 0.000 2.112 263 Q HA -0.241 4.108 4.340 0.015 0.000 0.206 263 Q C 1.446 177.342 176.000 -0.174 0.000 0.987 263 Q CA 1.693 57.369 55.803 -0.212 0.000 0.858 263 Q CB -0.214 28.447 28.738 -0.128 0.000 0.905 263 Q HN 0.415 nan 8.270 nan 0.000 0.420 264 D N -0.903 119.409 120.400 -0.146 0.000 2.340 264 D HA 0.006 4.655 4.640 0.015 0.000 0.220 264 D C -0.184 176.094 176.300 -0.036 0.000 1.039 264 D CA 0.165 54.123 54.000 -0.069 0.000 0.866 264 D CB -0.017 40.763 40.800 -0.034 0.000 0.913 264 D HN 0.175 nan 8.370 nan 0.000 0.523 265 N N 0.568 119.200 118.700 -0.114 0.000 2.776 265 N HA -0.167 4.582 4.740 0.015 0.000 0.249 265 N C -0.871 174.841 175.510 0.336 0.000 1.111 265 N CA 0.423 53.547 53.050 0.125 0.000 0.711 265 N CB -0.559 38.040 38.487 0.186 0.000 1.065 265 N HN -0.003 nan 8.380 nan 0.000 0.556 266 K N 0.064 120.553 120.400 0.149 0.000 2.237 266 K HA 0.195 4.524 4.320 0.015 0.000 0.270 266 K C 0.424 176.873 176.600 -0.252 0.000 1.015 266 K CA -0.343 55.972 56.287 0.047 0.000 0.949 266 K CB 0.877 33.393 32.500 0.027 0.000 0.976 266 K HN 0.301 nan 8.250 nan 0.000 0.472 267 C N 3.424 122.509 119.300 -0.359 0.000 3.183 267 C HA 0.072 4.541 4.460 0.015 0.000 0.545 267 C C 1.040 175.961 174.990 -0.115 0.000 1.044 267 C CA -0.082 58.581 59.018 -0.593 0.000 1.117 267 C CB -2.081 25.587 27.740 -0.120 0.000 1.393 267 C HN 0.636 nan 8.230 nan 0.000 0.611 268 S N 1.523 117.135 115.700 -0.148 0.000 2.585 268 S HA 0.097 4.576 4.470 0.015 0.000 0.273 268 S C 0.740 175.287 174.600 -0.089 0.000 1.339 268 S CA -0.413 57.812 58.200 0.042 0.000 1.028 268 S CB 0.350 63.580 63.200 0.050 0.000 0.906 268 S HN 0.873 nan 8.310 nan 0.000 0.528 269 W N 4.193 125.280 121.300 -0.356 0.000 2.342 269 W HA -0.140 4.529 4.660 0.015 0.000 0.297 269 W C 1.573 177.832 176.519 -0.433 0.000 1.213 269 W CA 1.397 58.307 57.345 -0.724 0.000 1.251 269 W CB -0.371 28.710 29.460 -0.631 0.000 1.136 269 W HN 0.737 nan 8.180 nan 0.000 0.526 270 L N -0.720 120.436 121.223 -0.111 0.000 2.012 270 L HA -0.256 4.093 4.340 0.015 0.000 0.210 270 L C 2.432 178.909 176.870 -0.655 0.000 1.073 270 L CA 1.481 56.084 54.840 -0.396 0.000 0.748 270 L CB -1.478 40.435 42.059 -0.244 0.000 0.891 270 L HN -0.083 nan 8.230 nan 0.000 0.431 271 V N -0.640 119.041 119.914 -0.388 0.000 2.427 271 V HA -0.200 3.928 4.120 0.015 0.000 0.248 271 V C 2.376 178.283 176.094 -0.311 0.000 1.051 271 V CA 1.327 63.436 62.300 -0.317 0.000 1.048 271 V CB 0.332 31.918 31.823 -0.394 0.000 0.666 271 V HN 0.189 nan 8.190 nan 0.000 0.456 272 V N -0.034 119.652 119.914 -0.380 0.000 2.287 272 V HA -0.264 3.865 4.120 0.015 0.000 0.248 272 V C 2.609 178.455 176.094 -0.413 0.000 1.053 272 V CA 2.207 64.304 62.300 -0.338 0.000 1.027 272 V CB -0.713 30.862 31.823 -0.413 0.000 0.646 272 V HN 0.539 nan 8.190 nan 0.000 0.447 273 Q N -1.256 118.143 119.800 -0.667 0.000 2.119 273 Q HA -0.179 4.170 4.340 0.015 0.000 0.201 273 Q C 2.402 178.162 176.000 -0.400 0.000 0.972 273 Q CA 1.769 57.181 55.803 -0.652 0.000 0.847 273 Q CB -1.172 26.934 28.738 -1.054 0.000 0.903 273 Q HN 0.729 nan 8.270 nan 0.000 0.433 274 C N 0.666 119.737 119.300 -0.382 0.000 2.413 274 C HA -0.134 4.335 4.460 0.015 0.000 0.277 274 C C 2.780 177.721 174.990 -0.081 0.000 1.228 274 C CA 0.657 59.562 59.018 -0.189 0.000 1.731 274 C CB -1.114 26.562 27.740 -0.107 0.000 2.042 274 C HN 0.476 nan 8.230 nan 0.000 0.468 275 L N 0.281 121.458 121.223 -0.076 0.000 2.079 275 L HA -0.227 4.122 4.340 0.015 0.000 0.210 275 L C 2.832 179.696 176.870 -0.009 0.000 1.081 275 L CA 1.841 56.688 54.840 0.012 0.000 0.752 275 L CB -0.756 41.328 42.059 0.042 0.000 0.896 275 L HN 0.481 nan 8.230 nan 0.000 0.433 276 Q N -0.480 119.273 119.800 -0.078 0.000 2.226 276 Q HA -0.178 4.170 4.340 0.015 0.000 0.204 276 Q C 2.034 178.003 176.000 -0.053 0.000 0.975 276 Q CA 1.281 57.039 55.803 -0.074 0.000 0.866 276 Q CB 0.061 28.727 28.738 -0.120 0.000 0.915 276 Q HN 0.471 nan 8.270 nan 0.000 0.440 277 R N -0.924 119.545 120.500 -0.052 0.000 2.373 277 R HA 0.283 4.632 4.340 0.015 0.000 0.221 277 R C -0.034 176.267 176.300 0.001 0.000 0.893 277 R CA 0.039 56.120 56.100 -0.032 0.000 1.049 277 R CB 0.818 31.090 30.300 -0.047 0.000 1.119 277 R HN -0.040 nan 8.270 nan 0.000 0.535 278 A N 1.775 124.610 122.820 0.025 0.000 2.366 278 A HA 0.275 4.604 4.320 0.015 0.000 0.272 278 A C 0.541 178.162 177.584 0.061 0.000 1.135 278 A CA -0.382 51.691 52.037 0.059 0.000 0.804 278 A CB 0.308 19.367 19.000 0.099 0.000 1.064 278 A HN 0.277 nan 8.150 nan 0.000 0.499 279 T N 0.885 115.471 114.554 0.053 0.000 2.734 279 T HA 0.228 4.587 4.350 0.015 0.000 0.314 279 T C -1.711 173.031 174.700 0.070 0.000 1.057 279 T CA -0.607 61.519 62.100 0.042 0.000 1.047 279 T CB 0.045 68.934 68.868 0.034 0.000 0.991 279 T HN 0.368 nan 8.240 nan 0.000 0.540 280 P HA -0.058 nan 4.420 nan 0.000 0.218 280 P C 1.442 178.807 177.300 0.107 0.000 1.148 280 P CA 1.054 64.184 63.100 0.049 0.000 0.822 280 P CB 0.039 31.735 31.700 -0.005 0.000 0.784 281 E N 0.065 120.309 120.200 0.074 0.000 2.047 281 E HA -0.228 4.131 4.350 0.015 0.000 0.191 281 E C 1.964 178.611 176.600 0.080 0.000 0.987 281 E CA 1.085 57.526 56.400 0.068 0.000 0.799 281 E CB -0.255 29.471 29.700 0.044 0.000 0.752 281 E HN 0.256 nan 8.360 nan 0.000 0.449 282 Q N -0.704 119.146 119.800 0.084 0.000 2.119 282 Q HA -0.187 4.162 4.340 0.015 0.000 0.201 282 Q C 1.931 177.987 176.000 0.093 0.000 0.972 282 Q CA 1.441 57.292 55.803 0.078 0.000 0.847 282 Q CB -0.279 28.505 28.738 0.075 0.000 0.903 282 Q HN 0.413 nan 8.270 nan 0.000 0.433 283 Y N 1.651 121.958 120.300 0.010 0.000 2.114 283 Y HA -0.332 4.227 4.550 0.015 0.000 0.282 283 Y C 2.331 178.235 175.900 0.007 0.000 1.165 283 Y CA 1.682 59.784 58.100 0.004 0.000 1.148 283 Y CB 0.099 38.554 38.460 -0.007 0.000 0.972 283 Y HN 0.065 nan 8.280 nan 0.000 0.504 284 Q N 0.317 120.216 119.800 0.165 0.000 2.084 284 Q HA -0.176 4.173 4.340 0.015 0.000 0.202 284 Q C 2.450 178.442 176.000 -0.012 0.000 0.978 284 Q CA 1.964 57.811 55.803 0.073 0.000 0.844 284 Q CB -0.508 28.289 28.738 0.098 0.000 0.898 284 Q HN 0.647 nan 8.270 nan 0.000 0.426 285 I N 0.238 120.808 120.570 -0.000 0.000 2.163 285 I HA -0.301 3.878 4.170 0.015 0.000 0.243 285 I C 2.256 178.351 176.117 -0.036 0.000 1.085 285 I CA 0.714 62.008 61.300 -0.010 0.000 1.347 285 I CB -0.319 37.684 38.000 0.005 0.000 1.044 285 I HN 0.155 nan 8.210 nan 0.000 0.408 286 L N 1.038 122.218 121.223 -0.071 0.000 1.994 286 L HA -0.249 4.100 4.340 0.015 0.000 0.208 286 L C 2.490 179.295 176.870 -0.108 0.000 1.071 286 L CA 1.940 56.726 54.840 -0.089 0.000 0.745 286 L CB -0.735 41.233 42.059 -0.152 0.000 0.892 286 L HN 0.106 nan 8.230 nan 0.000 0.431 287 K N -0.494 119.761 120.400 -0.242 0.000 2.074 287 K HA -0.265 4.064 4.320 0.015 0.000 0.209 287 K C 2.014 178.585 176.600 -0.049 0.000 1.048 287 K CA 2.148 58.321 56.287 -0.190 0.000 0.926 287 K CB -0.143 32.212 32.500 -0.242 0.000 0.713 287 K HN 0.468 nan 8.250 nan 0.000 0.444 288 E N -0.369 119.810 120.200 -0.035 0.000 2.204 288 E HA -0.093 4.265 4.350 0.015 0.000 0.194 288 E C 1.226 177.827 176.600 0.002 0.000 0.989 288 E CA 0.821 57.216 56.400 -0.009 0.000 0.824 288 E CB 0.202 29.897 29.700 -0.007 0.000 0.756 288 E HN 0.334 nan 8.360 nan 0.000 0.477 289 N N -1.172 117.537 118.700 0.015 0.000 2.210 289 N HA -0.018 4.731 4.740 0.015 0.000 0.203 289 N C -0.588 174.944 175.510 0.037 0.000 1.175 289 N CA -0.046 53.010 53.050 0.009 0.000 0.894 289 N CB 0.662 39.142 38.487 -0.012 0.000 1.041 289 N HN 0.048 nan 8.380 nan 0.000 0.506 290 Y N 1.249 121.521 120.300 -0.048 0.000 2.301 290 Y HA 0.387 4.946 4.550 0.015 0.000 0.328 290 Y C 1.447 177.350 175.900 0.004 0.000 1.242 290 Y CA 0.878 58.968 58.100 -0.016 0.000 1.323 290 Y CB 0.890 39.369 38.460 0.031 0.000 1.266 290 Y HN 0.301 nan 8.280 nan 0.000 0.527 291 G N 3.126 111.672 108.800 -0.423 0.000 2.176 291 G HA2 -0.254 3.715 3.960 0.015 0.000 0.252 291 G HA3 -0.254 3.715 3.960 0.015 0.000 0.252 291 G C -0.340 174.487 174.900 -0.121 0.000 1.024 291 G CA 0.242 45.212 45.100 -0.217 0.000 0.755 291 G HN 0.623 nan 8.290 nan 0.000 0.507 292 Q N -1.382 118.333 119.800 -0.141 0.000 2.423 292 Q HA 0.525 4.874 4.340 0.015 0.000 0.278 292 Q C 1.220 177.164 176.000 -0.093 0.000 1.097 292 Q CA -0.472 55.281 55.803 -0.084 0.000 0.809 292 Q CB 1.350 30.053 28.738 -0.058 0.000 1.391 292 Q HN 0.303 nan 8.270 nan 0.000 0.428 293 K N 0.009 120.370 120.400 -0.065 0.000 2.288 293 K HA 0.021 4.350 4.320 0.015 0.000 0.201 293 K C -0.425 176.140 176.600 -0.058 0.000 1.048 293 K CA 0.824 57.076 56.287 -0.059 0.000 0.956 293 K CB 0.259 32.735 32.500 -0.040 0.000 0.746 293 K HN 0.377 nan 8.250 nan 0.000 0.461 294 E N 1.138 121.306 120.200 -0.054 0.000 2.376 294 E HA 0.053 4.412 4.350 0.015 0.000 0.266 294 E C 0.717 177.281 176.600 -0.059 0.000 1.009 294 E CA 0.300 56.671 56.400 -0.048 0.000 0.902 294 E CB 1.255 30.931 29.700 -0.040 0.000 0.972 294 E HN 0.336 nan 8.360 nan 0.000 0.439 295 A N 3.362 126.150 122.820 -0.053 0.000 1.933 295 A HA -0.235 4.094 4.320 0.015 0.000 0.218 295 A C 2.006 179.553 177.584 -0.061 0.000 1.175 295 A CA 1.663 53.664 52.037 -0.060 0.000 0.628 295 A CB -0.520 18.451 19.000 -0.050 0.000 0.814 295 A HN 0.582 nan 8.150 nan 0.000 0.444 296 E N 0.367 120.537 120.200 -0.050 0.000 2.150 296 E HA -0.172 4.187 4.350 0.015 0.000 0.193 296 E C 1.813 178.381 176.600 -0.054 0.000 0.985 296 E CA 1.340 57.712 56.400 -0.046 0.000 0.814 296 E CB -0.712 28.968 29.700 -0.034 0.000 0.752 296 E HN 0.812 nan 8.360 nan 0.000 0.466 297 K N 0.370 120.736 120.400 -0.057 0.000 2.062 297 K HA 0.025 4.354 4.320 0.015 0.000 0.205 297 K C 2.435 178.982 176.600 -0.088 0.000 1.051 297 K CA 1.222 57.472 56.287 -0.061 0.000 0.941 297 K CB -0.397 32.071 32.500 -0.054 0.000 0.719 297 K HN 0.205 nan 8.250 nan 0.000 0.440 298 V N 1.809 121.659 119.914 -0.107 0.000 2.332 298 V HA -0.282 3.847 4.120 0.015 0.000 0.248 298 V C 2.437 178.438 176.094 -0.155 0.000 1.055 298 V CA 2.099 64.311 62.300 -0.146 0.000 1.038 298 V CB -0.829 30.907 31.823 -0.145 0.000 0.651 298 V HN 0.349 nan 8.190 nan 0.000 0.450 299 A N 0.265 123.014 122.820 -0.117 0.000 1.908 299 A HA -0.296 4.033 4.320 0.015 0.000 0.218 299 A C 2.319 179.842 177.584 -0.102 0.000 1.181 299 A CA 2.339 54.314 52.037 -0.104 0.000 0.627 299 A CB -0.566 18.393 19.000 -0.069 0.000 0.818 299 A HN 0.461 nan 8.150 nan 0.000 0.445 300 R N -0.265 120.182 120.500 -0.089 0.000 2.096 300 R HA -0.073 4.276 4.340 0.015 0.000 0.235 300 R C 1.851 178.080 176.300 -0.119 0.000 1.127 300 R CA 1.900 57.955 56.100 -0.076 0.000 0.968 300 R CB -0.962 29.306 30.300 -0.053 0.000 0.861 300 R HN 0.287 nan 8.270 nan 0.000 0.440 301 V N 0.898 120.704 119.914 -0.181 0.000 2.295 301 V HA -0.238 3.891 4.120 0.015 0.000 0.246 301 V C 2.368 178.114 176.094 -0.580 0.000 1.049 301 V CA 2.190 64.285 62.300 -0.342 0.000 1.024 301 V CB -0.557 31.085 31.823 -0.302 0.000 0.648 301 V HN 0.403 nan 8.190 nan 0.000 0.447 302 K N 0.314 120.457 120.400 -0.429 0.000 2.063 302 K HA -0.197 4.131 4.320 0.015 0.000 0.208 302 K C 2.175 178.739 176.600 -0.060 0.000 1.048 302 K CA 1.611 57.713 56.287 -0.308 0.000 0.928 302 K CB -0.353 32.001 32.500 -0.243 0.000 0.713 302 K HN 0.426 nan 8.250 nan 0.000 0.442 303 A N 1.200 123.988 122.820 -0.055 0.000 1.902 303 A HA -0.159 4.170 4.320 0.015 0.000 0.217 303 A C 2.041 179.664 177.584 0.064 0.000 1.181 303 A CA 1.407 53.459 52.037 0.024 0.000 0.623 303 A CB -0.634 18.367 19.000 0.002 0.000 0.818 303 A HN 0.397 nan 8.150 nan 0.000 0.443 304 L N -1.297 119.942 121.223 0.026 0.000 2.046 304 L HA -0.150 4.199 4.340 0.015 0.000 0.208 304 L C 2.306 179.324 176.870 0.247 0.000 1.077 304 L CA 1.873 56.770 54.840 0.094 0.000 0.747 304 L CB -0.855 41.236 42.059 0.054 0.000 0.896 304 L HN 0.469 nan 8.230 nan 0.000 0.432 305 Y N 0.612 120.980 120.300 0.114 0.000 2.165 305 Y HA -0.215 4.344 4.550 0.015 0.000 0.286 305 Y C 2.629 178.634 175.900 0.175 0.000 1.155 305 Y CA 1.450 59.653 58.100 0.172 0.000 1.164 305 Y CB -1.024 37.622 38.460 0.311 0.000 0.978 305 Y HN 0.414 nan 8.280 nan 0.000 0.513 306 E N -0.060 120.361 120.200 0.369 0.000 2.072 306 E HA -0.223 4.136 4.350 0.015 0.000 0.191 306 E C 2.138 178.818 176.600 0.133 0.000 0.985 306 E CA 1.061 57.592 56.400 0.218 0.000 0.801 306 E CB -0.180 29.651 29.700 0.218 0.000 0.750 306 E HN 0.542 nan 8.360 nan 0.000 0.452 307 E N 0.963 121.240 120.200 0.128 0.000 2.118 307 E HA -0.193 4.166 4.350 0.015 0.000 0.195 307 E C 1.592 178.239 176.600 0.079 0.000 0.992 307 E CA 0.869 57.322 56.400 0.088 0.000 0.804 307 E CB 0.034 29.781 29.700 0.079 0.000 0.741 307 E HN 0.224 nan 8.360 nan 0.000 0.458 308 L N 0.437 121.719 121.223 0.098 0.000 2.629 308 L HA 0.092 4.441 4.340 0.015 0.000 0.230 308 L C 0.184 177.081 176.870 0.045 0.000 1.151 308 L CA 0.072 54.951 54.840 0.064 0.000 0.924 308 L CB 0.164 42.261 42.059 0.064 0.000 1.137 308 L HN 0.137 nan 8.230 nan 0.000 0.457 309 D N -0.675 119.758 120.400 0.056 0.000 2.981 309 D HA -0.212 4.437 4.640 0.015 0.000 0.223 309 D C 1.165 177.485 176.300 0.033 0.000 1.151 309 D CA 0.511 54.532 54.000 0.035 0.000 0.827 309 D CB -0.987 39.830 40.800 0.027 0.000 1.101 309 D HN 0.219 nan 8.370 nan 0.000 0.426 310 L N -0.799 120.448 121.223 0.041 0.000 2.083 310 L HA -0.073 4.276 4.340 0.015 0.000 0.209 310 L C -0.467 176.477 176.870 0.124 0.000 1.083 310 L CA 1.454 56.330 54.840 0.059 0.000 0.752 310 L CB -1.356 40.720 42.059 0.029 0.000 0.899 310 L HN 0.194 nan 8.230 nan 0.000 0.433 311 P HA -0.206 nan 4.420 nan 0.000 0.215 311 P C 1.540 178.883 177.300 0.071 0.000 1.157 311 P CA 1.939 65.045 63.100 0.009 0.000 0.874 311 P CB -0.009 31.568 31.700 -0.206 0.000 0.790 312 A N -0.747 122.097 122.820 0.042 0.000 1.933 312 A HA -0.163 4.166 4.320 0.015 0.000 0.218 312 A C 2.335 179.960 177.584 0.069 0.000 1.175 312 A CA 1.860 53.921 52.037 0.040 0.000 0.628 312 A CB -1.724 17.291 19.000 0.025 0.000 0.814 312 A HN 0.049 nan 8.150 nan 0.000 0.444 313 V N -1.235 118.751 119.914 0.119 0.000 2.358 313 V HA -0.224 3.905 4.120 0.015 0.000 0.246 313 V C 2.261 178.546 176.094 0.319 0.000 1.047 313 V CA 2.032 64.441 62.300 0.182 0.000 1.035 313 V CB -0.969 30.938 31.823 0.140 0.000 0.658 313 V HN 0.644 nan 8.190 nan 0.000 0.452 314 F N 0.394 120.477 119.950 0.223 0.000 2.102 314 F HA -0.193 4.343 4.527 0.014 0.000 0.298 314 F C 2.051 177.821 175.800 -0.050 0.000 1.105 314 F CA 1.683 59.705 58.000 0.037 0.000 1.239 314 F CB -0.388 38.382 39.000 -0.384 0.000 0.991 314 F HN 0.068 nan 8.300 nan 0.000 0.474 315 L N 0.489 121.589 121.223 -0.205 0.000 2.012 315 L HA -0.258 4.091 4.340 0.015 0.000 0.210 315 L C 2.559 179.294 176.870 -0.226 0.000 1.073 315 L CA 2.136 56.824 54.840 -0.252 0.000 0.748 315 L CB -0.942 41.068 42.059 -0.082 0.000 0.891 315 L HN 0.285 nan 8.230 nan 0.000 0.431 316 Q N -1.700 118.039 119.800 -0.101 0.000 2.084 316 Q HA -0.286 4.063 4.340 0.015 0.000 0.202 316 Q C 2.143 178.089 176.000 -0.090 0.000 0.978 316 Q CA 2.052 57.815 55.803 -0.067 0.000 0.844 316 Q CB -0.630 28.110 28.738 0.003 0.000 0.898 316 Q HN 0.634 nan 8.270 nan 0.000 0.426 317 Y N 0.806 121.018 120.300 -0.146 0.000 2.181 317 Y HA -0.195 4.364 4.550 0.014 0.000 0.288 317 Y C 2.058 177.848 175.900 -0.182 0.000 1.146 317 Y CA 2.237 60.270 58.100 -0.113 0.000 1.164 317 Y CB -0.261 38.177 38.460 -0.036 0.000 0.982 317 Y HN 0.339 nan 8.280 nan 0.000 0.515 318 E N 0.104 119.991 120.200 -0.520 0.000 2.077 318 E HA -0.280 4.079 4.350 0.015 0.000 0.193 318 E C 2.246 178.616 176.600 -0.384 0.000 0.989 318 E CA 1.412 57.548 56.400 -0.440 0.000 0.800 318 E CB -0.270 29.169 29.700 -0.436 0.000 0.746 318 E HN 0.728 nan 8.360 nan 0.000 0.452 319 E N 0.230 120.245 120.200 -0.309 0.000 2.017 319 E HA -0.234 4.125 4.350 0.015 0.000 0.193 319 E C 1.654 178.122 176.600 -0.219 0.000 0.997 319 E CA 1.633 57.897 56.400 -0.227 0.000 0.804 319 E CB -0.034 29.566 29.700 -0.166 0.000 0.757 319 E HN 0.278 nan 8.360 nan 0.000 0.448 320 D N 0.101 120.360 120.400 -0.235 0.000 2.133 320 D HA -0.171 4.478 4.640 0.015 0.000 0.195 320 D C 2.031 178.173 176.300 -0.263 0.000 0.997 320 D CA 1.338 55.212 54.000 -0.209 0.000 0.840 320 D CB -0.502 40.201 40.800 -0.162 0.000 0.947 320 D HN 0.103 nan 8.370 nan 0.000 0.452 321 S N -0.694 114.734 115.700 -0.453 0.000 2.355 321 S HA -0.211 4.268 4.470 0.015 0.000 0.222 321 S C 2.051 176.428 174.600 -0.372 0.000 1.031 321 S CA 0.750 58.709 58.200 -0.402 0.000 0.993 321 S CB -0.521 62.305 63.200 -0.623 0.000 0.859 321 S HN 0.278 nan 8.310 nan 0.000 0.453 322 Y N 2.312 122.160 120.300 -0.752 0.000 2.081 322 Y HA -0.166 4.393 4.550 0.015 0.000 0.280 322 Y C 2.660 178.214 175.900 -0.577 0.000 1.163 322 Y CA 2.136 59.586 58.100 -1.084 0.000 1.135 322 Y CB -0.948 36.878 38.460 -1.056 0.000 0.970 322 Y HN 0.304 nan 8.280 nan 0.000 0.498 323 S N -1.017 114.472 115.700 -0.352 0.000 2.383 323 S HA -0.281 4.198 4.470 0.015 0.000 0.229 323 S C 1.784 176.235 174.600 -0.247 0.000 1.030 323 S CA 1.543 59.568 58.200 -0.292 0.000 1.002 323 S CB -0.671 62.441 63.200 -0.146 0.000 0.829 323 S HN 0.708 nan 8.310 nan 0.000 0.467 324 H N 1.137 120.036 119.070 -0.285 0.000 2.321 324 H HA 0.020 4.585 4.556 0.015 0.000 0.300 324 H C 1.812 177.002 175.328 -0.231 0.000 1.087 324 H CA 1.463 57.385 56.048 -0.211 0.000 1.319 324 H CB -0.450 29.220 29.762 -0.153 0.000 1.379 324 H HN 0.223 nan 8.280 nan 0.000 0.501 325 I N -0.021 120.313 120.570 -0.393 0.000 2.286 325 I HA -0.256 3.923 4.170 0.015 0.000 0.248 325 I C 2.183 178.043 176.117 -0.428 0.000 1.115 325 I CA 1.088 62.138 61.300 -0.417 0.000 1.392 325 I CB -0.464 37.352 38.000 -0.306 0.000 1.065 325 I HN 0.353 nan 8.210 nan 0.000 0.418 326 M N -0.339 118.953 119.600 -0.513 0.000 2.132 326 M HA -0.117 4.372 4.480 0.015 0.000 0.263 326 M C 2.512 178.622 176.300 -0.317 0.000 1.065 326 M CA 1.793 56.823 55.300 -0.449 0.000 1.122 326 M CB -1.547 30.706 32.600 -0.578 0.000 1.365 326 M HN 0.297 nan 8.290 nan 0.000 0.411 327 A N 0.470 123.110 122.820 -0.300 0.000 1.908 327 A HA -0.147 4.182 4.320 0.015 0.000 0.218 327 A C 2.306 179.742 177.584 -0.247 0.000 1.181 327 A CA 1.420 53.316 52.037 -0.234 0.000 0.627 327 A CB -0.954 17.941 19.000 -0.176 0.000 0.818 327 A HN 0.484 nan 8.150 nan 0.000 0.445 328 L N -0.743 120.298 121.223 -0.304 0.000 2.141 328 L HA -0.133 4.216 4.340 0.015 0.000 0.209 328 L C 2.430 179.191 176.870 -0.182 0.000 1.094 328 L CA 0.924 55.643 54.840 -0.201 0.000 0.763 328 L CB -0.483 41.422 42.059 -0.258 0.000 0.908 328 L HN 0.380 nan 8.230 nan 0.000 0.437 329 I N -0.135 120.276 120.570 -0.264 0.000 2.179 329 I HA -0.285 3.894 4.170 0.015 0.000 0.242 329 I C 2.422 178.430 176.117 -0.182 0.000 1.088 329 I CA 1.397 62.537 61.300 -0.266 0.000 1.357 329 I CB -0.280 37.599 38.000 -0.200 0.000 1.051 329 I HN 0.275 nan 8.210 nan 0.000 0.409 330 E N 0.263 120.358 120.200 -0.175 0.000 2.085 330 E HA -0.315 4.044 4.350 0.015 0.000 0.194 330 E C 2.160 178.652 176.600 -0.181 0.000 0.994 330 E CA 1.336 57.646 56.400 -0.150 0.000 0.801 330 E CB -0.123 29.489 29.700 -0.146 0.000 0.743 330 E HN 0.504 nan 8.360 nan 0.000 0.453 331 Q N -0.484 119.162 119.800 -0.256 0.000 2.083 331 Q HA -0.139 4.210 4.340 0.015 0.000 0.198 331 Q C 0.989 176.728 176.000 -0.436 0.000 0.969 331 Q CA 1.355 56.903 55.803 -0.425 0.000 0.838 331 Q CB 0.173 28.513 28.738 -0.663 0.000 0.900 331 Q HN 0.400 nan 8.270 nan 0.000 0.436 332 Y N -1.799 118.393 120.300 -0.180 0.000 2.453 332 Y HA 0.377 4.936 4.550 0.015 0.000 0.247 332 Y C 1.815 177.604 175.900 -0.185 0.000 1.124 332 Y CA -0.066 57.925 58.100 -0.182 0.000 1.243 332 Y CB 0.551 38.871 38.460 -0.234 0.000 1.213 332 Y HN 0.210 nan 8.280 nan 0.000 0.523 333 A N 1.379 124.165 122.820 -0.056 0.000 1.877 333 A HA 0.018 4.347 4.320 0.015 0.000 0.216 333 A C 1.633 179.301 177.584 0.139 0.000 1.186 333 A CA 0.965 53.035 52.037 0.054 0.000 0.620 333 A CB -1.087 17.978 19.000 0.108 0.000 0.822 333 A HN 0.259 nan 8.150 nan 0.000 0.443 334 A N 0.531 123.388 122.820 0.063 0.000 2.565 334 A HA 0.373 4.702 4.320 0.015 0.000 0.237 334 A C -0.846 176.772 177.584 0.058 0.000 1.053 334 A CA -0.050 52.016 52.037 0.048 0.000 0.755 334 A CB -0.143 18.865 19.000 0.013 0.000 0.980 334 A HN 0.407 nan 8.150 nan 0.000 0.506 335 P HA 0.188 nan 4.420 nan 0.000 0.261 335 P C -0.216 177.103 177.300 0.031 0.000 1.352 335 P CA 0.066 63.185 63.100 0.032 0.000 0.891 335 P CB -0.026 31.686 31.700 0.021 0.000 1.383 336 L N 1.047 122.307 121.223 0.060 0.000 2.436 336 L HA 0.313 4.662 4.340 0.015 0.000 0.265 336 L C -2.038 174.858 176.870 0.043 0.000 1.168 336 L CA -2.239 52.623 54.840 0.036 0.000 0.815 336 L CB -0.374 41.718 42.059 0.056 0.000 1.109 336 L HN -0.210 nan 8.230 nan 0.000 0.462 337 P HA 0.099 nan 4.420 nan 0.000 0.267 337 P C -2.095 175.229 177.300 0.040 0.000 1.205 337 P CA -1.045 62.053 63.100 -0.004 0.000 0.765 337 P CB 0.197 31.870 31.700 -0.045 0.000 0.828 338 P HA -0.238 nan 4.420 nan 0.000 0.217 338 P C 1.257 178.623 177.300 0.110 0.000 1.148 338 P CA 1.690 64.877 63.100 0.146 0.000 0.828 338 P CB -0.275 31.471 31.700 0.076 0.000 0.783 339 A N -0.546 122.295 122.820 0.034 0.000 1.986 339 A HA -0.197 4.132 4.320 0.015 0.000 0.220 339 A C 2.309 179.878 177.584 -0.024 0.000 1.171 339 A CA 1.777 53.823 52.037 0.015 0.000 0.640 339 A CB -1.767 17.230 19.000 -0.005 0.000 0.811 339 A HN 0.059 nan 8.150 nan 0.000 0.451 340 V N -1.428 118.405 119.914 -0.135 0.000 2.324 340 V HA -0.318 3.811 4.120 0.015 0.000 0.250 340 V C 2.260 178.148 176.094 -0.343 0.000 1.060 340 V CA 2.459 64.563 62.300 -0.328 0.000 1.042 340 V CB -0.888 30.576 31.823 -0.599 0.000 0.650 340 V HN 0.650 nan 8.190 nan 0.000 0.450 341 F N -1.312 118.651 119.950 0.022 0.000 2.317 341 F HA 0.139 4.675 4.527 0.014 0.000 0.290 341 F C 2.056 177.883 175.800 0.045 0.000 1.075 341 F CA 0.527 58.546 58.000 0.032 0.000 1.380 341 F CB -0.333 38.666 39.000 -0.001 0.000 1.093 341 F HN -0.010 nan 8.300 nan 0.000 0.524 342 L N 0.070 121.415 121.223 0.203 0.000 2.083 342 L HA -0.146 4.202 4.340 0.015 0.000 0.209 342 L C 2.751 179.701 176.870 0.133 0.000 1.083 342 L CA 1.448 56.366 54.840 0.130 0.000 0.752 342 L CB -1.363 40.747 42.059 0.085 0.000 0.899 342 L HN 0.281 nan 8.230 nan 0.000 0.433 343 G N 0.123 109.006 108.800 0.138 0.000 2.446 343 G HA2 -0.283 3.686 3.960 0.015 0.000 0.217 343 G HA3 -0.283 3.686 3.960 0.015 0.000 0.217 343 G C 1.552 176.543 174.900 0.151 0.000 1.168 343 G CA 0.685 45.898 45.100 0.188 0.000 0.771 343 G HN 0.177 nan 8.290 nan 0.000 0.551 344 L N 1.438 122.773 121.223 0.187 0.000 2.046 344 L HA 0.155 4.504 4.340 0.015 0.000 0.208 344 L C 3.141 180.113 176.870 0.171 0.000 1.077 344 L CA 1.960 56.891 54.840 0.152 0.000 0.747 344 L CB -0.963 41.241 42.059 0.241 0.000 0.896 344 L HN 0.265 nan 8.230 nan 0.000 0.432 345 A N -0.392 122.563 122.820 0.226 0.000 1.892 345 A HA -0.300 4.029 4.320 0.015 0.000 0.218 345 A C 2.553 180.338 177.584 0.335 0.000 1.188 345 A CA 2.071 54.302 52.037 0.323 0.000 0.631 345 A CB -0.716 18.406 19.000 0.202 0.000 0.822 345 A HN 0.502 nan 8.150 nan 0.000 0.447 346 R N -0.733 119.881 120.500 0.190 0.000 2.083 346 R HA -0.176 4.173 4.340 0.015 0.000 0.237 346 R C 2.009 178.335 176.300 0.043 0.000 1.137 346 R CA 1.731 57.900 56.100 0.115 0.000 0.951 346 R CB -0.185 30.155 30.300 0.066 0.000 0.851 346 R HN 0.269 nan 8.270 nan 0.000 0.434 347 K N 0.946 121.304 120.400 -0.070 0.000 2.057 347 K HA -0.143 4.186 4.320 0.015 0.000 0.207 347 K C 2.110 178.710 176.600 -0.001 0.000 1.049 347 K CA 1.789 57.978 56.287 -0.164 0.000 0.931 347 K CB -0.357 31.842 32.500 -0.502 0.000 0.714 347 K HN 0.523 nan 8.250 nan 0.000 0.440 348 I N -3.369 117.259 120.570 0.097 0.000 2.716 348 I HA -0.089 4.090 4.170 0.015 0.000 0.259 348 I C 1.278 177.424 176.117 0.050 0.000 1.172 348 I CA 0.948 62.344 61.300 0.160 0.000 1.478 348 I CB -0.310 37.871 38.000 0.301 0.000 1.104 348 I HN -0.090 nan 8.210 nan 0.000 0.439 349 Y N 2.348 122.710 120.300 0.103 0.000 2.466 349 Y HA 0.289 4.847 4.550 0.014 0.000 0.272 349 Y C 2.027 177.886 175.900 -0.069 0.000 1.169 349 Y CA 0.388 58.467 58.100 -0.036 0.000 1.285 349 Y CB -0.623 37.711 38.460 -0.210 0.000 1.078 349 Y HN 0.151 nan 8.280 nan 0.000 0.523 350 K N 0.000 120.448 120.400 0.080 0.000 2.780 350 K HA 0.000 4.329 4.320 0.015 0.000 0.191 350 K CA 0.000 56.307 56.287 0.033 0.000 0.838 350 K CB 0.000 32.517 32.500 0.028 0.000 1.064 350 K HN 0.000 nan 8.250 nan 0.000 0.543