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 1g7w_1_A DATA FIRST_RESID 5 DATA SEQUENCE MFENITAAPA DPILGLADLF RADERPGKIN LGIGVYKDET GKTPVLTSVK DATA SEQUENCE KAEQYLLENE XTTKNYLGID GIPEFGRCTQ ELLFGKGSAL INDKRARTAQ DATA SEQUENCE TPGGTGALRV AADFLAKNTS VKXXRXXXVW VSNPSWPNHK SVFNSAGLXE DATA SEQUENCE VREYAYYDAE NHTLDFDALI NSLNEAQAGD VVLFHGCCHA PTGIDPTLEQ DATA SEQUENCE WQTLAQLSVE KGWLPLFDFA YQGFARGXLE EDAEGLRAFA AMHKELIVAS DATA SEQUENCE SYSKNFGLYN ERVGACTLVA ADSETVDRAF SQMKAAIRAN YSNPPAHGAS DATA SEQUENCE VVATILSNDA LRAIWEQELT DMRQRIQRMR QLFVNTLQEK GANRDFSFII DATA SEQUENCE KQNGMFSFSG LTKEQVLRLR EEFGVYAVAS GLVNVAGMTP DNMAPLCEAI DATA SEQUENCE VAXVL VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 5 M HA 0.000 nan 4.480 nan 0.000 0.227 5 M C 0.000 176.189 176.300 -0.185 0.000 1.140 5 M CA 0.000 55.082 55.300 -0.364 0.000 0.988 5 M CB 0.000 32.443 32.600 -0.262 0.000 1.302 6 F N 1.345 121.294 119.950 -0.001 0.000 2.765 6 F HA 0.190 4.732 4.527 0.025 0.000 0.302 6 F C 1.890 177.689 175.800 -0.002 0.000 1.111 6 F CA 0.024 58.024 58.000 -0.001 0.000 1.359 6 F CB -0.201 38.798 39.000 -0.001 0.000 1.097 6 F HN 0.165 nan 8.300 nan 0.000 0.577 7 E N 0.645 120.895 120.200 0.084 0.000 2.338 7 E HA -0.170 4.194 4.350 0.024 0.000 0.197 7 E C 0.322 176.953 176.600 0.051 0.000 1.007 7 E CA 0.904 57.338 56.400 0.057 0.000 0.849 7 E CB -0.417 29.290 29.700 0.012 0.000 0.774 7 E HN 0.522 nan 8.360 nan 0.000 0.506 8 N N 0.458 119.189 118.700 0.052 0.000 2.517 8 N HA 0.246 5.000 4.740 0.024 0.000 0.285 8 N C -0.584 174.954 175.510 0.047 0.000 1.528 8 N CA -0.187 52.887 53.050 0.039 0.000 0.892 8 N CB 0.775 39.276 38.487 0.024 0.000 1.356 8 N HN 0.024 nan 8.380 nan 0.000 0.495 9 I N 0.990 121.602 120.570 0.070 0.000 2.556 9 I HA -0.014 4.170 4.170 0.024 0.000 0.284 9 I C 1.079 177.216 176.117 0.034 0.000 1.114 9 I CA 0.580 61.916 61.300 0.061 0.000 1.418 9 I CB 1.222 39.271 38.000 0.082 0.000 1.394 9 I HN -0.040 nan 8.210 nan 0.000 0.552 10 T N 5.296 119.863 114.554 0.021 0.000 2.899 10 T HA 0.511 4.875 4.350 0.024 0.000 0.284 10 T C 0.040 174.742 174.700 0.002 0.000 1.004 10 T CA -0.612 61.494 62.100 0.010 0.000 1.043 10 T CB 0.865 69.737 68.868 0.007 0.000 1.013 10 T HN 0.670 nan 8.240 nan 0.000 0.518 11 A N 2.241 125.060 122.820 -0.001 0.000 2.401 11 A HA 0.663 4.998 4.320 0.024 0.000 0.259 11 A C 0.518 178.095 177.584 -0.013 0.000 1.103 11 A CA -0.384 51.648 52.037 -0.008 0.000 0.789 11 A CB -0.118 18.878 19.000 -0.006 0.000 1.035 11 A HN 1.099 nan 8.150 nan 0.000 0.491 12 A N 3.817 126.625 122.820 -0.019 0.000 2.371 12 A HA 0.616 4.950 4.320 0.024 0.000 0.257 12 A C -1.252 176.319 177.584 -0.022 0.000 1.089 12 A CA -1.081 50.942 52.037 -0.023 0.000 0.794 12 A CB -0.569 18.413 19.000 -0.031 0.000 1.029 12 A HN 0.826 nan 8.150 nan 0.000 0.488 13 P HA 0.421 nan 4.420 nan 0.000 0.272 13 P C -0.523 176.762 177.300 -0.026 0.000 1.254 13 P CA -0.125 62.962 63.100 -0.022 0.000 0.795 13 P CB 0.625 32.310 31.700 -0.024 0.000 1.022 14 A N 0.526 123.334 122.820 -0.020 0.000 2.304 14 A HA 0.323 4.657 4.320 0.024 0.000 0.323 14 A C -0.160 177.408 177.584 -0.026 0.000 1.195 14 A CA -0.551 51.473 52.037 -0.020 0.000 0.826 14 A CB 0.085 19.080 19.000 -0.008 0.000 1.184 14 A HN 0.622 nan 8.150 nan 0.000 0.496 15 D N 3.475 123.852 120.400 -0.038 0.000 2.458 15 D HA 0.214 4.869 4.640 0.024 0.000 0.243 15 D C -1.405 174.875 176.300 -0.034 0.000 1.146 15 D CA -0.798 53.171 54.000 -0.052 0.000 0.877 15 D CB 0.806 41.562 40.800 -0.073 0.000 1.176 15 D HN 0.195 nan 8.370 nan 0.000 0.461 16 P HA -0.257 nan 4.420 nan 0.000 0.222 16 P C 1.206 178.509 177.300 0.006 0.000 1.159 16 P CA 1.318 64.413 63.100 -0.008 0.000 0.920 16 P CB 0.048 31.738 31.700 -0.016 0.000 0.793 17 I N -1.912 118.653 120.570 -0.008 0.000 2.226 17 I HA -0.200 3.984 4.170 0.024 0.000 0.245 17 I C 2.440 178.562 176.117 0.008 0.000 1.100 17 I CA 1.317 62.619 61.300 0.002 0.000 1.374 17 I CB -1.022 36.976 38.000 -0.004 0.000 1.057 17 I HN -0.059 nan 8.210 nan 0.000 0.413 18 L N 0.261 121.485 121.223 0.001 0.000 2.012 18 L HA -0.187 4.168 4.340 0.024 0.000 0.210 18 L C 2.533 179.416 176.870 0.022 0.000 1.073 18 L CA 2.348 57.191 54.840 0.005 0.000 0.748 18 L CB -1.825 40.230 42.059 -0.005 0.000 0.891 18 L HN 0.392 nan 8.230 nan 0.000 0.431 19 G N -0.473 108.343 108.800 0.027 0.000 2.418 19 G HA2 -0.288 3.686 3.960 0.024 0.000 0.217 19 G HA3 -0.288 3.686 3.960 0.024 0.000 0.217 19 G C 1.650 176.600 174.900 0.083 0.000 1.158 19 G CA 0.653 45.781 45.100 0.046 0.000 0.771 19 G HN 0.272 nan 8.290 nan 0.000 0.545 20 L N 1.194 122.473 121.223 0.094 0.000 2.056 20 L HA 0.167 4.521 4.340 0.024 0.000 0.207 20 L C 3.166 180.118 176.870 0.136 0.000 1.078 20 L CA 1.903 56.840 54.840 0.162 0.000 0.749 20 L CB -0.612 41.531 42.059 0.140 0.000 0.901 20 L HN 0.252 nan 8.230 nan 0.000 0.433 21 A N -0.777 122.082 122.820 0.064 0.000 1.883 21 A HA -0.242 4.092 4.320 0.024 0.000 0.217 21 A C 2.000 179.632 177.584 0.080 0.000 1.186 21 A CA 2.000 54.067 52.037 0.050 0.000 0.624 21 A CB -0.800 18.210 19.000 0.018 0.000 0.822 21 A HN 0.503 nan 8.150 nan 0.000 0.444 22 D N -0.169 120.269 120.400 0.064 0.000 2.097 22 D HA -0.137 4.518 4.640 0.024 0.000 0.195 22 D C 1.912 178.247 176.300 0.058 0.000 0.989 22 D CA 1.144 55.174 54.000 0.050 0.000 0.827 22 D CB -0.469 40.357 40.800 0.042 0.000 0.966 22 D HN 0.407 nan 8.370 nan 0.000 0.456 23 L N -0.245 121.044 121.223 0.110 0.000 2.131 23 L HA -0.163 4.191 4.340 0.024 0.000 0.210 23 L C 2.236 179.151 176.870 0.074 0.000 1.092 23 L CA 0.676 55.618 54.840 0.170 0.000 0.759 23 L CB -0.132 42.118 42.059 0.318 0.000 0.903 23 L HN -0.047 nan 8.230 nan 0.000 0.435 24 F N 0.869 120.643 119.950 -0.294 0.000 2.128 24 F HA -0.181 4.360 4.527 0.023 0.000 0.295 24 F C 2.705 178.308 175.800 -0.329 0.000 1.100 24 F CA 1.585 59.169 58.000 -0.693 0.000 1.260 24 F CB -0.194 38.409 39.000 -0.661 0.000 1.009 24 F HN -0.005 nan 8.300 nan 0.000 0.476 25 R N 0.640 121.059 120.500 -0.134 0.000 2.148 25 R HA 0.029 4.383 4.340 0.024 0.000 0.227 25 R C 1.841 178.036 176.300 -0.176 0.000 1.103 25 R CA 1.226 57.225 56.100 -0.169 0.000 0.983 25 R CB -1.169 29.111 30.300 -0.035 0.000 0.874 25 R HN 0.247 nan 8.270 nan 0.000 0.451 26 A N 1.193 123.943 122.820 -0.117 0.000 2.259 26 A HA -0.012 4.322 4.320 0.024 0.000 0.208 26 A C -0.264 177.265 177.584 -0.092 0.000 1.201 26 A CA 0.201 52.192 52.037 -0.076 0.000 0.824 26 A CB -0.280 18.707 19.000 -0.020 0.000 0.838 26 A HN 0.412 nan 8.150 nan 0.000 0.485 27 D N 0.361 120.648 120.400 -0.189 0.000 2.359 27 D HA 0.202 4.856 4.640 0.024 0.000 0.230 27 D C 1.414 177.610 176.300 -0.172 0.000 1.118 27 D CA -0.217 53.695 54.000 -0.147 0.000 0.844 27 D CB 0.785 41.469 40.800 -0.193 0.000 1.059 27 D HN 0.295 nan 8.370 nan 0.000 0.493 28 E N 3.751 123.898 120.200 -0.089 0.000 2.401 28 E HA -0.164 4.201 4.350 0.024 0.000 0.199 28 E C -0.033 176.526 176.600 -0.069 0.000 1.023 28 E CA 0.622 56.976 56.400 -0.075 0.000 0.859 28 E CB -0.070 29.604 29.700 -0.043 0.000 0.780 28 E HN 0.339 nan 8.360 nan 0.000 0.523 29 R N 1.500 121.964 120.500 -0.061 0.000 2.438 29 R HA 0.188 4.543 4.340 0.024 0.000 0.287 29 R C -1.657 174.612 176.300 -0.053 0.000 1.077 29 R CA -1.951 54.130 56.100 -0.032 0.000 1.034 29 R CB 0.021 30.329 30.300 0.013 0.000 0.993 29 R HN 0.030 nan 8.270 nan 0.000 0.459 30 P HA 0.019 nan 4.420 nan 0.000 0.219 30 P C 0.807 178.109 177.300 0.003 0.000 1.154 30 P CA 0.789 63.874 63.100 -0.025 0.000 0.826 30 P CB 0.315 32.009 31.700 -0.011 0.000 0.795 31 G N 0.647 109.468 108.800 0.035 0.000 3.496 31 G HA2 0.037 4.011 3.960 0.024 0.000 0.273 31 G HA3 0.037 4.011 3.960 0.024 0.000 0.273 31 G C 0.064 175.032 174.900 0.113 0.000 1.279 31 G CA -0.360 44.779 45.100 0.066 0.000 1.041 31 G HN 0.310 nan 8.290 nan 0.000 0.539 32 K N 0.017 120.484 120.400 0.111 0.000 2.237 32 K HA 0.549 4.884 4.320 0.024 0.000 0.270 32 K C -0.765 176.058 176.600 0.371 0.000 1.015 32 K CA -0.322 56.100 56.287 0.225 0.000 0.949 32 K CB 1.481 33.991 32.500 0.017 0.000 0.976 32 K HN 0.014 nan 8.250 nan 0.000 0.472 33 I N 1.888 122.725 120.570 0.445 0.000 2.466 33 I HA 0.153 4.338 4.170 0.024 0.000 0.289 33 I C -0.910 175.280 176.117 0.120 0.000 1.026 33 I CA -1.008 60.440 61.300 0.246 0.000 1.078 33 I CB 1.928 40.011 38.000 0.138 0.000 1.249 33 I HN 0.668 nan 8.210 nan 0.000 0.429 34 N N 6.667 125.167 118.700 -0.334 0.000 2.501 34 N HA 0.398 5.153 4.740 0.024 0.000 0.245 34 N C -0.042 175.293 175.510 -0.291 0.000 0.974 34 N CA -0.281 52.397 53.050 -0.621 0.000 0.941 34 N CB 1.282 38.928 38.487 -1.401 0.000 1.122 34 N HN 0.623 nan 8.380 nan 0.000 0.507 35 L N 1.509 122.654 121.223 -0.130 0.000 2.585 35 L HA 0.349 4.703 4.340 0.024 0.000 0.226 35 L C 1.491 178.327 176.870 -0.056 0.000 1.113 35 L CA -0.037 54.743 54.840 -0.101 0.000 0.876 35 L CB 0.474 42.491 42.059 -0.070 0.000 1.072 35 L HN 0.548 nan 8.230 nan 0.000 0.468 36 G N 0.562 109.337 108.800 -0.042 0.000 3.882 36 G HA2 0.238 4.213 3.960 0.024 0.000 0.283 36 G HA3 0.238 4.213 3.960 0.024 0.000 0.283 36 G C 1.107 176.007 174.900 -0.000 0.000 1.283 36 G CA -0.272 44.837 45.100 0.015 0.000 1.402 36 G HN 0.414 nan 8.290 nan 0.000 0.618 37 I N -3.223 117.337 120.570 -0.016 0.000 3.035 37 I HA 0.292 4.477 4.170 0.024 0.000 0.271 37 I C 1.889 178.040 176.117 0.058 0.000 1.190 37 I CA 0.444 61.723 61.300 -0.035 0.000 1.472 37 I CB 0.154 38.083 38.000 -0.118 0.000 1.116 37 I HN 0.231 nan 8.210 nan 0.000 0.443 38 G N 1.564 110.508 108.800 0.239 0.000 2.220 38 G HA2 -0.246 3.729 3.960 0.024 0.000 0.269 38 G HA3 -0.246 3.729 3.960 0.024 0.000 0.269 38 G C 0.232 175.270 174.900 0.230 0.000 0.977 38 G CA 0.484 45.813 45.100 0.381 0.000 0.634 38 G HN 0.388 nan 8.290 nan 0.000 0.539 39 V N -0.604 119.333 119.914 0.038 0.000 3.102 39 V HA 0.673 4.807 4.120 0.024 0.000 0.312 39 V C -0.170 175.936 176.094 0.020 0.000 1.135 39 V CA -1.271 60.995 62.300 -0.057 0.000 1.022 39 V CB 2.051 33.673 31.823 -0.336 0.000 1.056 39 V HN 0.364 nan 8.190 nan 0.000 0.436 40 Y N 2.997 123.331 120.300 0.057 0.000 2.346 40 Y HA 0.459 5.023 4.550 0.022 0.000 0.330 40 Y C 0.175 176.098 175.900 0.038 0.000 1.178 40 Y CA 0.269 58.416 58.100 0.079 0.000 1.331 40 Y CB 0.567 39.172 38.460 0.242 0.000 1.253 40 Y HN 0.485 nan 8.280 nan 0.000 0.529 41 K N 4.649 124.607 120.400 -0.737 0.000 2.426 41 K HA 0.213 4.548 4.320 0.024 0.000 0.251 41 K C -1.250 174.859 176.600 -0.819 0.000 0.941 41 K CA -1.062 54.913 56.287 -0.521 0.000 0.808 41 K CB 1.660 33.978 32.500 -0.304 0.000 1.265 41 K HN 0.762 nan 8.250 nan 0.000 0.432 42 D N 0.437 120.613 120.400 -0.373 0.000 2.478 42 D HA 0.010 4.665 4.640 0.024 0.000 0.269 42 D C 0.707 176.928 176.300 -0.133 0.000 1.232 42 D CA -0.328 53.560 54.000 -0.186 0.000 1.059 42 D CB 0.494 41.322 40.800 0.047 0.000 1.104 42 D HN 0.415 nan 8.370 nan 0.000 0.566 43 E N -1.642 118.527 120.200 -0.053 0.000 2.333 43 E HA -0.117 4.247 4.350 0.024 0.000 0.200 43 E C 1.228 177.807 176.600 -0.035 0.000 1.010 43 E CA 1.562 57.938 56.400 -0.041 0.000 0.841 43 E CB -0.262 29.431 29.700 -0.011 0.000 0.757 43 E HN 0.621 nan 8.360 nan 0.000 0.508 44 T N -4.465 110.071 114.554 -0.030 0.000 3.134 44 T HA 0.343 4.707 4.350 0.024 0.000 0.260 44 T C 1.209 175.892 174.700 -0.028 0.000 1.027 44 T CA 0.156 62.244 62.100 -0.019 0.000 0.913 44 T CB 0.519 69.386 68.868 -0.002 0.000 1.046 44 T HN 0.161 nan 8.240 nan 0.000 0.553 45 G N 0.859 109.624 108.800 -0.058 0.000 2.160 45 G HA2 -0.214 3.760 3.960 0.024 0.000 0.244 45 G HA3 -0.214 3.760 3.960 0.024 0.000 0.244 45 G C -0.235 174.634 174.900 -0.052 0.000 1.022 45 G CA 0.132 45.193 45.100 -0.065 0.000 0.741 45 G HN 0.705 nan 8.290 nan 0.000 0.508 46 K N -0.492 119.881 120.400 -0.045 0.000 2.395 46 K HA 0.737 5.071 4.320 0.024 0.000 0.247 46 K C -0.150 176.456 176.600 0.010 0.000 0.973 46 K CA -0.461 55.819 56.287 -0.010 0.000 0.828 46 K CB 1.632 34.143 32.500 0.019 0.000 1.272 46 K HN 0.002 nan 8.250 nan 0.000 0.439 47 T N 3.314 117.896 114.554 0.046 0.000 3.254 47 T HA 0.353 4.718 4.350 0.024 0.000 0.385 47 T C -2.299 172.500 174.700 0.164 0.000 1.528 47 T CA -1.386 60.791 62.100 0.129 0.000 1.212 47 T CB 0.261 69.172 68.868 0.072 0.000 1.145 47 T HN 0.333 nan 8.240 nan 0.000 0.631 48 P HA 0.385 nan 4.420 nan 0.000 0.274 48 P C -0.253 177.147 177.300 0.165 0.000 1.256 48 P CA -0.812 62.375 63.100 0.144 0.000 0.795 48 P CB 0.513 32.288 31.700 0.126 0.000 1.038 49 V N 1.157 121.150 119.914 0.133 0.000 2.509 49 V HA 0.296 4.430 4.120 0.024 0.000 0.284 49 V C -0.231 175.934 176.094 0.119 0.000 1.047 49 V CA -0.736 61.645 62.300 0.135 0.000 0.952 49 V CB -0.033 31.860 31.823 0.116 0.000 0.988 49 V HN 0.295 nan 8.190 nan 0.000 0.469 50 L N 5.194 126.492 121.223 0.124 0.000 2.483 50 L HA 0.147 4.502 4.340 0.024 0.000 0.276 50 L C 1.911 178.835 176.870 0.089 0.000 1.213 50 L CA 0.112 55.016 54.840 0.107 0.000 0.843 50 L CB 0.362 42.498 42.059 0.128 0.000 1.107 50 L HN 0.846 nan 8.230 nan 0.000 0.487 51 T N -0.074 114.523 114.554 0.070 0.000 2.759 51 T HA -0.168 4.196 4.350 0.024 0.000 0.269 51 T C 1.922 176.658 174.700 0.060 0.000 1.042 51 T CA 1.804 63.938 62.100 0.057 0.000 1.140 51 T CB -0.101 68.791 68.868 0.041 0.000 0.864 51 T HN 0.874 nan 8.240 nan 0.000 0.455 52 S N 1.739 117.484 115.700 0.076 0.000 2.399 52 S HA -0.108 4.377 4.470 0.024 0.000 0.231 52 S C 2.314 176.954 174.600 0.067 0.000 1.022 52 S CA 1.205 59.453 58.200 0.079 0.000 0.983 52 S CB -0.933 62.347 63.200 0.134 0.000 0.803 52 S HN 0.522 nan 8.310 nan 0.000 0.480 53 V N -0.273 119.690 119.914 0.083 0.000 2.649 53 V HA 0.111 4.245 4.120 0.024 0.000 0.248 53 V C 2.229 178.352 176.094 0.049 0.000 1.054 53 V CA 1.046 63.380 62.300 0.056 0.000 1.073 53 V CB -0.627 31.239 31.823 0.072 0.000 0.699 53 V HN 0.138 nan 8.190 nan 0.000 0.463 54 K N 1.309 121.747 120.400 0.063 0.000 2.063 54 K HA -0.151 4.183 4.320 0.024 0.000 0.208 54 K C 2.170 178.806 176.600 0.060 0.000 1.048 54 K CA 2.149 58.474 56.287 0.063 0.000 0.928 54 K CB -0.442 32.095 32.500 0.060 0.000 0.713 54 K HN 0.594 nan 8.250 nan 0.000 0.442 55 K N 0.185 120.616 120.400 0.051 0.000 2.057 55 K HA -0.050 4.284 4.320 0.024 0.000 0.206 55 K C 2.177 178.813 176.600 0.060 0.000 1.050 55 K CA 1.181 57.499 56.287 0.051 0.000 0.935 55 K CB -0.137 32.382 32.500 0.032 0.000 0.715 55 K HN 0.091 nan 8.250 nan 0.000 0.439 56 A N 1.696 124.534 122.820 0.029 0.000 1.969 56 A HA -0.176 4.158 4.320 0.024 0.000 0.218 56 A C 1.835 179.465 177.584 0.077 0.000 1.169 56 A CA 1.320 53.369 52.037 0.019 0.000 0.635 56 A CB -0.263 18.708 19.000 -0.048 0.000 0.810 56 A HN 0.281 nan 8.150 nan 0.000 0.445 57 E N -1.021 119.213 120.200 0.057 0.000 2.152 57 E HA -0.198 4.167 4.350 0.024 0.000 0.192 57 E C 2.179 178.845 176.600 0.110 0.000 0.983 57 E CA 1.105 57.557 56.400 0.087 0.000 0.818 57 E CB -0.076 29.692 29.700 0.115 0.000 0.758 57 E HN 0.691 nan 8.360 nan 0.000 0.467 58 Q N 0.129 119.992 119.800 0.105 0.000 2.050 58 Q HA -0.209 4.146 4.340 0.024 0.000 0.202 58 Q C 1.822 177.879 176.000 0.095 0.000 0.980 58 Q CA 1.451 57.307 55.803 0.089 0.000 0.840 58 Q CB -0.327 28.462 28.738 0.085 0.000 0.898 58 Q HN 0.356 nan 8.270 nan 0.000 0.424 59 Y N 0.217 120.519 120.300 0.003 0.000 2.097 59 Y HA -0.249 4.311 4.550 0.017 0.000 0.282 59 Y C 1.649 177.546 175.900 -0.005 0.000 1.152 59 Y CA 1.907 60.005 58.100 -0.004 0.000 1.136 59 Y CB -0.228 38.224 38.460 -0.013 0.000 0.975 59 Y HN 0.123 nan 8.280 nan 0.000 0.498 60 L N -0.703 120.567 121.223 0.078 0.000 2.079 60 L HA -0.227 4.127 4.340 0.024 0.000 0.210 60 L C 2.421 179.259 176.870 -0.054 0.000 1.081 60 L CA 1.156 55.993 54.840 -0.005 0.000 0.752 60 L CB -0.786 41.312 42.059 0.066 0.000 0.896 60 L HN 0.336 nan 8.230 nan 0.000 0.433 61 L N 0.059 121.273 121.223 -0.015 0.000 2.083 61 L HA -0.195 4.159 4.340 0.024 0.000 0.209 61 L C 2.274 179.100 176.870 -0.072 0.000 1.083 61 L CA 1.805 56.630 54.840 -0.026 0.000 0.752 61 L CB -0.450 41.610 42.059 0.002 0.000 0.899 61 L HN 0.215 nan 8.230 nan 0.000 0.433 62 E N -1.186 118.943 120.200 -0.118 0.000 2.371 62 E HA -0.073 4.292 4.350 0.024 0.000 0.194 62 E C 1.194 177.674 176.600 -0.199 0.000 1.012 62 E CA 0.868 57.184 56.400 -0.141 0.000 0.860 62 E CB 0.062 29.678 29.700 -0.140 0.000 0.811 62 E HN 0.608 nan 8.360 nan 0.000 0.502 63 N N -0.289 118.242 118.700 -0.282 0.000 2.227 63 N HA 0.047 4.802 4.740 0.024 0.000 0.196 63 N C -0.067 175.347 175.510 -0.159 0.000 1.142 63 N CA -0.081 52.805 53.050 -0.274 0.000 0.887 63 N CB 0.852 39.047 38.487 -0.488 0.000 1.022 63 N HN 0.005 nan 8.380 nan 0.000 0.500 67 T N 0.526 115.057 114.554 -0.038 0.000 2.885 67 T HA 0.557 4.921 4.350 0.024 0.000 0.322 67 T C -1.432 173.239 174.700 -0.049 0.000 1.387 67 T CA -0.609 61.465 62.100 -0.043 0.000 1.041 67 T CB 1.746 70.593 68.868 -0.035 0.000 1.287 67 T HN -0.053 nan 8.240 nan 0.000 0.491 68 K N 2.537 122.895 120.400 -0.070 0.000 2.618 68 K HA 0.223 4.557 4.320 0.024 0.000 0.207 68 K C 0.530 177.049 176.600 -0.135 0.000 1.058 68 K CA -0.315 55.919 56.287 -0.088 0.000 1.086 68 K CB -0.121 32.320 32.500 -0.099 0.000 0.827 68 K HN 0.611 nan 8.250 nan 0.000 0.481 69 N N 0.699 119.334 118.700 -0.110 0.000 2.441 69 N HA -0.041 4.713 4.740 0.024 0.000 0.251 69 N C -0.573 174.895 175.510 -0.071 0.000 1.242 69 N CA -0.149 52.825 53.050 -0.127 0.000 0.898 69 N CB 0.416 38.879 38.487 -0.040 0.000 1.100 69 N HN -0.079 nan 8.380 nan 0.000 0.443 70 Y N 1.818 122.116 120.300 -0.003 0.000 2.811 70 Y HA -0.061 4.506 4.550 0.027 0.000 0.334 70 Y C 0.779 176.679 175.900 -0.000 0.000 1.247 70 Y CA 0.228 58.328 58.100 -0.000 0.000 1.526 70 Y CB 0.254 38.715 38.460 0.001 0.000 1.284 70 Y HN 0.278 nan 8.280 nan 0.000 0.586 71 L N 2.369 123.699 121.223 0.180 0.000 2.468 71 L HA 0.420 4.774 4.340 0.024 0.000 0.254 71 L C 1.264 178.190 176.870 0.094 0.000 1.171 71 L CA -0.545 54.355 54.840 0.099 0.000 0.809 71 L CB 0.228 42.322 42.059 0.058 0.000 1.155 71 L HN 0.811 nan 8.230 nan 0.000 0.473 72 G N -0.126 108.711 108.800 0.062 0.000 2.667 72 G HA2 0.240 4.215 3.960 0.024 0.000 0.250 72 G HA3 0.240 4.215 3.960 0.024 0.000 0.250 72 G C 0.930 175.848 174.900 0.030 0.000 1.212 72 G CA -0.494 44.630 45.100 0.039 0.000 0.874 72 G HN 0.657 nan 8.290 nan 0.000 0.561 73 I N 0.234 120.798 120.570 -0.010 0.000 2.264 73 I HA -0.161 4.023 4.170 0.024 0.000 0.248 73 I C 1.902 178.025 176.117 0.011 0.000 1.111 73 I CA 1.603 62.878 61.300 -0.041 0.000 1.382 73 I CB -0.070 37.860 38.000 -0.116 0.000 1.060 73 I HN 0.563 nan 8.210 nan 0.000 0.418 74 D N 0.378 120.809 120.400 0.051 0.000 2.328 74 D HA 0.187 4.841 4.640 0.024 0.000 0.221 74 D C 1.048 177.439 176.300 0.151 0.000 1.072 74 D CA 0.712 54.801 54.000 0.149 0.000 0.850 74 D CB -0.090 40.895 40.800 0.307 0.000 0.922 74 D HN 0.369 nan 8.370 nan 0.000 0.516 75 G N 1.515 110.369 108.800 0.090 0.000 2.584 75 G HA2 -0.240 3.734 3.960 0.024 0.000 0.229 75 G HA3 -0.240 3.734 3.960 0.024 0.000 0.229 75 G C -0.252 174.682 174.900 0.056 0.000 1.320 75 G CA -0.237 44.887 45.100 0.040 0.000 0.891 75 G HN 0.640 nan 8.290 nan 0.000 0.573 76 I N -0.188 120.397 120.570 0.025 0.000 2.395 76 I HA 0.638 4.823 4.170 0.024 0.000 0.289 76 I C -1.031 175.155 176.117 0.115 0.000 1.023 76 I CA -1.736 59.596 61.300 0.053 0.000 1.350 76 I CB 1.911 39.916 38.000 0.008 0.000 1.409 76 I HN 0.247 nan 8.210 nan 0.000 0.507 77 P HA -0.148 nan 4.420 nan 0.000 0.215 77 P C 1.161 178.505 177.300 0.073 0.000 1.153 77 P CA 1.310 64.460 63.100 0.082 0.000 0.853 77 P CB 0.102 31.836 31.700 0.057 0.000 0.788 78 E N -1.512 118.725 120.200 0.061 0.000 2.110 78 E HA -0.192 4.172 4.350 0.024 0.000 0.193 78 E C 1.865 178.486 176.600 0.036 0.000 0.988 78 E CA 0.942 57.361 56.400 0.032 0.000 0.804 78 E CB -0.645 29.066 29.700 0.018 0.000 0.745 78 E HN 0.271 nan 8.360 nan 0.000 0.458 79 F N 1.163 121.065 119.950 -0.079 0.000 2.095 79 F HA -0.158 4.383 4.527 0.023 0.000 0.298 79 F C 2.208 177.971 175.800 -0.061 0.000 1.104 79 F CA 1.907 59.839 58.000 -0.113 0.000 1.232 79 F CB -0.509 38.419 39.000 -0.120 0.000 0.987 79 F HN -0.018 nan 8.300 nan 0.000 0.475 80 G N 0.745 109.606 108.800 0.102 0.000 2.491 80 G HA2 -0.352 3.622 3.960 0.024 0.000 0.218 80 G HA3 -0.352 3.622 3.960 0.024 0.000 0.218 80 G C 1.825 176.681 174.900 -0.074 0.000 1.180 80 G CA 0.946 46.052 45.100 0.011 0.000 0.774 80 G HN 0.400 nan 8.290 nan 0.000 0.562 81 R N -0.029 120.444 120.500 -0.045 0.000 2.115 81 R HA -0.173 4.181 4.340 0.024 0.000 0.239 81 R C 2.568 178.815 176.300 -0.089 0.000 1.133 81 R CA 2.241 58.313 56.100 -0.048 0.000 0.935 81 R CB -1.085 29.196 30.300 -0.031 0.000 0.853 81 R HN 0.379 nan 8.270 nan 0.000 0.433 82 C N 0.189 119.403 119.300 -0.143 0.000 2.425 82 C HA -0.079 4.395 4.460 0.024 0.000 0.277 82 C C 3.071 177.937 174.990 -0.207 0.000 1.280 82 C CA 1.489 60.401 59.018 -0.176 0.000 1.744 82 C CB -1.159 26.441 27.740 -0.234 0.000 1.989 82 C HN 0.789 nan 8.230 nan 0.000 0.491 83 T N -1.119 113.254 114.554 -0.301 0.000 2.942 83 T HA -0.143 4.221 4.350 0.024 0.000 0.265 83 T C 1.688 176.258 174.700 -0.216 0.000 1.062 83 T CA 1.307 63.259 62.100 -0.246 0.000 1.139 83 T CB -0.365 68.320 68.868 -0.305 0.000 0.883 83 T HN 0.645 nan 8.240 nan 0.000 0.468 84 Q N 0.531 120.241 119.800 -0.149 0.000 2.084 84 Q HA -0.104 4.250 4.340 0.024 0.000 0.202 84 Q C 2.465 178.443 176.000 -0.037 0.000 0.978 84 Q CA 1.854 57.616 55.803 -0.069 0.000 0.844 84 Q CB -0.104 28.680 28.738 0.077 0.000 0.898 84 Q HN 0.707 nan 8.270 nan 0.000 0.426 85 E N 0.419 120.601 120.200 -0.029 0.000 2.077 85 E HA -0.165 4.200 4.350 0.024 0.000 0.193 85 E C 2.078 178.654 176.600 -0.040 0.000 0.989 85 E CA 0.692 57.088 56.400 -0.005 0.000 0.800 85 E CB -0.048 29.647 29.700 -0.008 0.000 0.746 85 E HN 0.307 nan 8.360 nan 0.000 0.452 86 L N 0.449 121.624 121.223 -0.079 0.000 2.042 86 L HA -0.232 4.122 4.340 0.024 0.000 0.210 86 L C 2.283 179.061 176.870 -0.153 0.000 1.076 86 L CA 0.665 55.455 54.840 -0.082 0.000 0.749 86 L CB -0.171 41.846 42.059 -0.071 0.000 0.893 86 L HN 0.202 nan 8.230 nan 0.000 0.432 87 L N -1.535 119.511 121.223 -0.295 0.000 2.023 87 L HA -0.118 4.236 4.340 0.024 0.000 0.205 87 L C 1.868 178.486 176.870 -0.420 0.000 1.073 87 L CA 1.875 56.429 54.840 -0.476 0.000 0.745 87 L CB -0.749 40.754 42.059 -0.927 0.000 0.900 87 L HN 0.093 nan 8.230 nan 0.000 0.435 88 F N -0.591 119.351 119.950 -0.014 0.000 2.695 88 F HA 0.544 5.086 4.527 0.025 0.000 0.303 88 F C 1.194 176.985 175.800 -0.016 0.000 1.091 88 F CA -0.143 57.843 58.000 -0.022 0.000 1.300 88 F CB -0.543 38.441 39.000 -0.027 0.000 1.071 88 F HN 0.086 nan 8.300 nan 0.000 0.578 89 G N 1.108 109.976 108.800 0.113 0.000 2.879 89 G HA2 -0.193 3.782 3.960 0.024 0.000 0.686 89 G HA3 -0.193 3.782 3.960 0.024 0.000 0.686 89 G C 0.640 175.584 174.900 0.073 0.000 1.115 89 G CA -0.683 44.462 45.100 0.076 0.000 0.770 89 G HN -0.019 nan 8.290 nan 0.000 0.601 90 K N 0.917 121.342 120.400 0.042 0.000 2.127 90 K HA -0.126 4.208 4.320 0.024 0.000 0.208 90 K C 1.976 178.595 176.600 0.030 0.000 1.047 90 K CA 1.960 58.265 56.287 0.031 0.000 0.927 90 K CB -0.314 32.197 32.500 0.019 0.000 0.716 90 K HN 1.376 nan 8.250 nan 0.000 0.450 91 G N 1.026 109.844 108.800 0.029 0.000 4.547 91 G HA2 0.112 4.086 3.960 0.024 0.000 0.301 91 G HA3 0.112 4.086 3.960 0.024 0.000 0.301 91 G C -0.383 174.530 174.900 0.021 0.000 1.240 91 G CA -0.379 44.733 45.100 0.021 0.000 0.970 91 G HN 0.108 nan 8.290 nan 0.000 0.574 92 S N -0.102 115.620 115.700 0.035 0.000 2.572 92 S HA 0.453 4.938 4.470 0.024 0.000 0.279 92 S C 1.857 176.450 174.600 -0.011 0.000 1.341 92 S CA 0.256 58.471 58.200 0.024 0.000 1.043 92 S CB 1.082 64.323 63.200 0.067 0.000 0.887 92 S HN 0.582 nan 8.310 nan 0.000 0.516 93 A N 4.747 127.548 122.820 -0.032 0.000 1.933 93 A HA 0.009 4.344 4.320 0.024 0.000 0.218 93 A C 2.032 179.569 177.584 -0.077 0.000 1.175 93 A CA 1.165 53.175 52.037 -0.046 0.000 0.628 93 A CB -0.715 18.257 19.000 -0.047 0.000 0.814 93 A HN 0.857 nan 8.150 nan 0.000 0.444 94 L N -0.648 120.492 121.223 -0.138 0.000 2.083 94 L HA -0.181 4.174 4.340 0.024 0.000 0.209 94 L C 2.419 179.206 176.870 -0.138 0.000 1.083 94 L CA 1.242 55.955 54.840 -0.213 0.000 0.752 94 L CB -0.689 41.073 42.059 -0.494 0.000 0.899 94 L HN 0.402 nan 8.230 nan 0.000 0.433 95 I N -0.040 120.488 120.570 -0.071 0.000 2.277 95 I HA -0.222 3.962 4.170 0.024 0.000 0.243 95 I C 1.928 178.032 176.117 -0.022 0.000 1.094 95 I CA 1.429 62.720 61.300 -0.015 0.000 1.393 95 I CB -0.390 37.631 38.000 0.035 0.000 1.078 95 I HN 0.296 nan 8.210 nan 0.000 0.417 96 N N 0.745 119.432 118.700 -0.021 0.000 2.309 96 N HA -0.158 4.596 4.740 0.024 0.000 0.182 96 N C 0.765 176.261 175.510 -0.023 0.000 1.018 96 N CA 0.951 53.990 53.050 -0.017 0.000 0.876 96 N CB 0.039 38.517 38.487 -0.014 0.000 0.972 96 N HN 0.271 nan 8.380 nan 0.000 0.434 97 D N 0.541 120.921 120.400 -0.034 0.000 2.340 97 D HA 0.019 4.673 4.640 0.024 0.000 0.220 97 D C -0.053 176.226 176.300 -0.035 0.000 1.039 97 D CA 0.330 54.310 54.000 -0.033 0.000 0.866 97 D CB 0.189 40.965 40.800 -0.039 0.000 0.913 97 D HN -0.122 nan 8.370 nan 0.000 0.523 98 K N 0.545 120.921 120.400 -0.040 0.000 3.490 98 K HA -0.236 4.098 4.320 0.024 0.000 0.273 98 K C 0.595 177.164 176.600 -0.052 0.000 0.916 98 K CA 0.207 56.468 56.287 -0.044 0.000 0.718 98 K CB -1.420 31.062 32.500 -0.030 0.000 1.477 98 K HN 0.399 nan 8.250 nan 0.000 0.452 99 R N -0.866 119.591 120.500 -0.072 0.000 2.312 99 R HA 0.197 4.551 4.340 0.024 0.000 0.205 99 R C 0.683 176.931 176.300 -0.087 0.000 0.904 99 R CA 0.695 56.752 56.100 -0.072 0.000 1.052 99 R CB 0.657 30.905 30.300 -0.086 0.000 1.014 99 R HN 0.327 nan 8.270 nan 0.000 0.503 100 A N 1.074 123.835 122.820 -0.099 0.000 2.355 100 A HA 0.709 5.044 4.320 0.024 0.000 0.324 100 A C -0.728 176.762 177.584 -0.155 0.000 1.117 100 A CA -0.758 51.227 52.037 -0.086 0.000 0.785 100 A CB 1.250 20.246 19.000 -0.007 0.000 1.254 100 A HN -0.024 nan 8.150 nan 0.000 0.453 101 R N 0.768 121.107 120.500 -0.268 0.000 2.574 101 R HA 0.612 4.966 4.340 0.024 0.000 0.288 101 R C -1.397 174.611 176.300 -0.487 0.000 1.004 101 R CA -0.397 55.340 56.100 -0.604 0.000 0.895 101 R CB 1.699 31.176 30.300 -1.372 0.000 1.191 101 R HN 0.724 nan 8.270 nan 0.000 0.444 102 T N 1.224 115.591 114.554 -0.311 0.000 2.797 102 T HA 0.657 5.021 4.350 0.024 0.000 0.279 102 T C -0.471 174.342 174.700 0.187 0.000 0.991 102 T CA -0.586 61.499 62.100 -0.023 0.000 0.979 102 T CB 1.793 70.675 68.868 0.023 0.000 0.943 102 T HN 0.585 nan 8.240 nan 0.000 0.444 103 A N 3.090 126.111 122.820 0.334 0.000 2.288 103 A HA 0.566 4.901 4.320 0.024 0.000 0.320 103 A C 0.081 177.840 177.584 0.291 0.000 1.217 103 A CA -0.749 51.513 52.037 0.375 0.000 0.840 103 A CB 0.764 19.970 19.000 0.344 0.000 1.179 103 A HN 0.800 nan 8.150 nan 0.000 0.504 104 Q N 1.833 121.786 119.800 0.255 0.000 2.289 104 Q HA 0.366 4.720 4.340 0.024 0.000 0.273 104 Q C -0.008 176.053 176.000 0.101 0.000 1.029 104 Q CA 0.403 56.298 55.803 0.153 0.000 0.896 104 Q CB 0.410 29.084 28.738 -0.107 0.000 1.182 104 Q HN 0.817 nan 8.270 nan 0.000 0.385 105 T N 0.889 115.487 114.554 0.073 0.000 2.930 105 T HA 0.565 4.929 4.350 0.024 0.000 0.290 105 T C -2.621 171.998 174.700 -0.134 0.000 1.052 105 T CA -2.178 59.933 62.100 0.017 0.000 1.017 105 T CB 1.668 70.593 68.868 0.095 0.000 1.137 105 T HN 0.480 nan 8.240 nan 0.000 0.511 106 P HA 0.337 nan 4.420 nan 0.000 0.252 106 P C 0.783 178.009 177.300 -0.124 0.000 1.694 106 P CA 0.773 63.719 63.100 -0.256 0.000 1.163 106 P CB -0.766 30.684 31.700 -0.416 0.000 1.934 107 G N 2.668 111.427 108.800 -0.068 0.000 2.829 107 G HA2 -0.150 3.825 3.960 0.024 0.000 0.628 107 G HA3 -0.150 3.825 3.960 0.024 0.000 0.628 107 G C 0.943 175.826 174.900 -0.028 0.000 1.412 107 G CA -0.512 44.568 45.100 -0.032 0.000 0.864 107 G HN 0.433 nan 8.290 nan 0.000 0.544 108 G N -1.188 107.575 108.800 -0.062 0.000 2.422 108 G HA2 0.020 3.995 3.960 0.024 0.000 0.218 108 G HA3 0.020 3.995 3.960 0.024 0.000 0.218 108 G C 1.881 176.755 174.900 -0.043 0.000 1.146 108 G CA 2.416 47.463 45.100 -0.089 0.000 0.769 108 G HN 1.323 nan 8.290 nan 0.000 0.547 109 T N 1.013 115.568 114.554 0.001 0.000 2.746 109 T HA -0.051 4.314 4.350 0.024 0.000 0.267 109 T C 2.511 177.243 174.700 0.054 0.000 1.039 109 T CA 1.405 63.561 62.100 0.094 0.000 1.142 109 T CB -0.585 68.378 68.868 0.158 0.000 0.866 109 T HN 0.351 nan 8.240 nan 0.000 0.444 110 G N 1.148 109.962 108.800 0.022 0.000 2.442 110 G HA2 -0.067 3.907 3.960 0.024 0.000 0.219 110 G HA3 -0.067 3.907 3.960 0.024 0.000 0.219 110 G C 1.823 176.771 174.900 0.079 0.000 1.141 110 G CA 0.916 46.030 45.100 0.023 0.000 0.763 110 G HN 0.590 nan 8.290 nan 0.000 0.554 111 A N 0.521 123.382 122.820 0.068 0.000 1.902 111 A HA 0.107 4.441 4.320 0.024 0.000 0.217 111 A C 2.439 180.092 177.584 0.116 0.000 1.181 111 A CA 1.271 53.369 52.037 0.102 0.000 0.623 111 A CB -0.388 18.660 19.000 0.080 0.000 0.818 111 A HN 0.356 nan 8.150 nan 0.000 0.443 112 L N -1.185 120.092 121.223 0.090 0.000 2.046 112 L HA -0.165 4.190 4.340 0.024 0.000 0.208 112 L C 2.754 179.648 176.870 0.040 0.000 1.077 112 L CA 1.637 56.526 54.840 0.082 0.000 0.747 112 L CB -0.390 41.693 42.059 0.040 0.000 0.896 112 L HN 0.363 nan 8.230 nan 0.000 0.432 113 R N 0.621 121.138 120.500 0.029 0.000 2.075 113 R HA -0.132 4.222 4.340 0.024 0.000 0.232 113 R C 2.154 178.524 176.300 0.117 0.000 1.126 113 R CA 2.027 58.152 56.100 0.041 0.000 0.963 113 R CB -0.940 29.388 30.300 0.047 0.000 0.858 113 R HN 0.358 nan 8.270 nan 0.000 0.435 114 V N -1.164 118.841 119.914 0.152 0.000 2.515 114 V HA 0.021 4.156 4.120 0.024 0.000 0.250 114 V C 2.071 178.291 176.094 0.210 0.000 1.058 114 V CA 1.659 64.058 62.300 0.164 0.000 1.064 114 V CB -1.026 30.890 31.823 0.156 0.000 0.675 114 V HN 0.312 nan 8.190 nan 0.000 0.461 115 A N 0.905 123.861 122.820 0.227 0.000 1.877 115 A HA 0.071 4.406 4.320 0.024 0.000 0.216 115 A C 2.567 180.363 177.584 0.353 0.000 1.186 115 A CA 2.453 54.677 52.037 0.312 0.000 0.620 115 A CB -1.243 17.935 19.000 0.296 0.000 0.822 115 A HN 1.019 nan 8.150 nan 0.000 0.443 116 A N 0.030 123.035 122.820 0.308 0.000 1.883 116 A HA -0.222 4.113 4.320 0.024 0.000 0.217 116 A C 1.796 179.507 177.584 0.211 0.000 1.186 116 A CA 2.069 54.291 52.037 0.308 0.000 0.624 116 A CB -0.658 18.502 19.000 0.267 0.000 0.822 116 A HN 0.468 nan 8.150 nan 0.000 0.444 117 D N -1.221 119.288 120.400 0.181 0.000 2.117 117 D HA -0.112 4.542 4.640 0.024 0.000 0.198 117 D C 1.657 178.055 176.300 0.163 0.000 0.982 117 D CA 1.312 55.396 54.000 0.140 0.000 0.828 117 D CB -0.488 40.381 40.800 0.114 0.000 0.967 117 D HN 0.532 nan 8.370 nan 0.000 0.464 118 F N 0.987 120.981 119.950 0.073 0.000 2.095 118 F HA -0.220 4.322 4.527 0.025 0.000 0.298 118 F C 1.926 177.773 175.800 0.077 0.000 1.104 118 F CA 0.978 59.019 58.000 0.068 0.000 1.232 118 F CB -0.075 38.975 39.000 0.084 0.000 0.987 118 F HN -0.127 nan 8.300 nan 0.000 0.475 119 L N 1.046 122.223 121.223 -0.076 0.000 1.994 119 L HA -0.133 4.221 4.340 0.024 0.000 0.208 119 L C 2.839 179.634 176.870 -0.126 0.000 1.071 119 L CA 2.009 56.746 54.840 -0.171 0.000 0.745 119 L CB -1.943 40.152 42.059 0.060 0.000 0.892 119 L HN 0.303 nan 8.230 nan 0.000 0.431 120 A N -1.240 121.568 122.820 -0.020 0.000 1.940 120 A HA -0.189 4.145 4.320 0.024 0.000 0.219 120 A C 2.158 179.718 177.584 -0.040 0.000 1.176 120 A CA 1.602 53.633 52.037 -0.009 0.000 0.631 120 A CB -0.283 18.737 19.000 0.033 0.000 0.814 120 A HN 0.293 nan 8.150 nan 0.000 0.446 121 K N -0.655 119.710 120.400 -0.058 0.000 2.352 121 K HA 0.150 4.485 4.320 0.024 0.000 0.194 121 K C 0.609 177.150 176.600 -0.099 0.000 1.038 121 K CA 0.357 56.612 56.287 -0.053 0.000 1.023 121 K CB 0.038 32.528 32.500 -0.016 0.000 0.840 121 K HN 0.502 nan 8.250 nan 0.000 0.519 122 N N 0.684 119.255 118.700 -0.215 0.000 2.171 122 N HA 0.018 4.773 4.740 0.024 0.000 0.212 122 N C 0.205 175.582 175.510 -0.222 0.000 1.184 122 N CA 0.306 53.212 53.050 -0.239 0.000 0.888 122 N CB 1.416 39.670 38.487 -0.388 0.000 1.038 122 N HN 0.218 nan 8.380 nan 0.000 0.517 123 T N -2.378 112.053 114.554 -0.205 0.000 2.654 123 T HA 0.263 4.628 4.350 0.024 0.000 0.289 123 T C 0.443 175.103 174.700 -0.066 0.000 1.062 123 T CA -0.618 61.406 62.100 -0.127 0.000 1.041 123 T CB 1.321 70.095 68.868 -0.156 0.000 1.417 123 T HN -0.072 nan 8.240 nan 0.000 0.510 124 S N -0.118 115.565 115.700 -0.028 0.000 2.602 124 S HA 0.393 4.877 4.470 0.024 0.000 0.246 124 S C 0.593 175.196 174.600 0.005 0.000 1.009 124 S CA -0.492 57.704 58.200 -0.007 0.000 1.052 124 S CB -1.341 61.864 63.200 0.009 0.000 0.778 124 S HN 0.994 nan 8.310 nan 0.000 0.455 125 V N -0.415 119.498 119.914 -0.001 0.000 2.649 125 V HA 0.572 4.707 4.120 0.024 0.000 0.292 125 V C -0.100 175.995 176.094 0.003 0.000 1.055 125 V CA -0.853 61.455 62.300 0.013 0.000 1.023 125 V CB 0.663 32.493 31.823 0.012 0.000 0.992 125 V HN 0.307 nan 8.190 nan 0.000 0.480 134 W N 3.616 124.746 121.300 -0.283 0.000 2.390 134 W HA 0.780 5.455 4.660 0.023 0.000 0.312 134 W C -0.146 176.283 176.519 -0.151 0.000 1.123 134 W CA -0.412 56.830 57.345 -0.171 0.000 1.202 134 W CB 1.677 31.035 29.460 -0.170 0.000 1.251 134 W HN 0.398 nan 8.180 nan 0.000 0.511 135 V N 3.101 123.004 119.914 -0.018 0.000 2.876 135 V HA 0.416 4.550 4.120 0.024 0.000 0.312 135 V C -0.025 175.743 176.094 -0.542 0.000 1.085 135 V CA -1.090 61.099 62.300 -0.184 0.000 0.945 135 V CB 2.197 33.950 31.823 -0.116 0.000 1.017 135 V HN 0.562 nan 8.190 nan 0.000 0.428 136 S N 2.870 118.139 115.700 -0.718 0.000 2.585 136 S HA 0.302 4.786 4.470 0.024 0.000 0.273 136 S C -0.240 174.159 174.600 -0.335 0.000 1.339 136 S CA -0.372 57.259 58.200 -0.949 0.000 1.028 136 S CB 0.617 63.438 63.200 -0.631 0.000 0.906 136 S HN 0.742 nan 8.310 nan 0.000 0.528 137 N N 2.669 121.251 118.700 -0.196 0.000 2.469 137 N HA 0.500 5.254 4.740 0.024 0.000 0.253 137 N C -2.478 173.107 175.510 0.126 0.000 0.970 137 N CA -1.973 51.073 53.050 -0.008 0.000 0.940 137 N CB 1.204 39.700 38.487 0.015 0.000 1.128 137 N HN 0.448 nan 8.380 nan 0.000 0.503 138 P HA 0.323 nan 4.420 nan 0.000 0.279 138 P C -0.771 176.605 177.300 0.128 0.000 1.276 138 P CA -0.463 62.718 63.100 0.136 0.000 0.801 138 P CB 1.453 33.271 31.700 0.198 0.000 1.127 139 S N -1.644 114.122 115.700 0.109 0.000 2.685 139 S HA 0.405 4.890 4.470 0.024 0.000 0.282 139 S C -1.750 172.952 174.600 0.170 0.000 1.159 139 S CA -0.667 57.632 58.200 0.165 0.000 0.833 139 S CB 0.294 63.697 63.200 0.338 0.000 1.151 139 S HN 0.491 nan 8.310 nan 0.000 0.485 140 W N 4.935 126.251 121.300 0.027 0.000 2.417 140 W HA 0.246 4.920 4.660 0.024 0.000 0.332 140 W C -1.730 174.679 176.519 -0.184 0.000 1.413 140 W CA -1.371 55.879 57.345 -0.159 0.000 1.299 140 W CB 0.311 29.610 29.460 -0.269 0.000 1.304 140 W HN 0.510 nan 8.180 nan 0.000 0.565 141 P HA -0.354 nan 4.420 nan 0.000 0.214 141 P C 1.367 178.311 177.300 -0.594 0.000 1.163 141 P CA 2.197 65.024 63.100 -0.455 0.000 0.889 141 P CB -0.103 31.366 31.700 -0.385 0.000 0.790 142 N N -0.431 117.615 118.700 -1.091 0.000 2.503 142 N HA -0.210 4.544 4.740 0.024 0.000 0.189 142 N C 1.669 176.839 175.510 -0.567 0.000 1.048 142 N CA 0.736 53.236 53.050 -0.916 0.000 0.905 142 N CB -0.478 37.235 38.487 -1.290 0.000 0.951 142 N HN 0.342 nan 8.380 nan 0.000 0.446 143 H N 0.698 119.552 119.070 -0.360 0.000 2.289 143 H HA -0.156 4.414 4.556 0.024 0.000 0.296 143 H C 2.357 177.690 175.328 0.008 0.000 1.091 143 H CA 2.078 58.119 56.048 -0.011 0.000 1.274 143 H CB 0.074 29.986 29.762 0.250 0.000 1.364 143 H HN 0.315 nan 8.280 nan 0.000 0.490 144 K N 0.929 121.418 120.400 0.149 0.000 2.057 144 K HA -0.122 4.212 4.320 0.024 0.000 0.207 144 K C 2.072 178.693 176.600 0.035 0.000 1.049 144 K CA 1.883 58.244 56.287 0.123 0.000 0.931 144 K CB -0.114 32.410 32.500 0.040 0.000 0.714 144 K HN 0.196 nan 8.250 nan 0.000 0.440 145 S N 1.310 116.974 115.700 -0.060 0.000 2.382 145 S HA -0.094 4.390 4.470 0.024 0.000 0.228 145 S C 2.179 176.727 174.600 -0.087 0.000 1.027 145 S CA 1.345 59.499 58.200 -0.077 0.000 0.991 145 S CB -0.402 62.727 63.200 -0.118 0.000 0.823 145 S HN 0.154 nan 8.310 nan 0.000 0.469 146 V N 1.159 120.972 119.914 -0.169 0.000 2.307 146 V HA -0.139 3.996 4.120 0.024 0.000 0.245 146 V C 1.960 177.903 176.094 -0.250 0.000 1.045 146 V CA 1.728 63.874 62.300 -0.258 0.000 1.024 146 V CB -0.844 30.729 31.823 -0.416 0.000 0.651 146 V HN 0.459 nan 8.190 nan 0.000 0.449 147 F N 0.414 120.389 119.950 0.041 0.000 2.206 147 F HA -0.070 4.472 4.527 0.025 0.000 0.298 147 F C 2.260 178.061 175.800 0.001 0.000 1.090 147 F CA 1.533 59.546 58.000 0.022 0.000 1.323 147 F CB -0.520 38.481 39.000 0.001 0.000 1.028 147 F HN 0.178 nan 8.300 nan 0.000 0.492 148 N N -0.090 118.695 118.700 0.142 0.000 2.244 148 N HA -0.165 4.590 4.740 0.024 0.000 0.183 148 N C 1.935 177.470 175.510 0.041 0.000 1.016 148 N CA 1.201 54.292 53.050 0.068 0.000 0.866 148 N CB -0.148 38.357 38.487 0.030 0.000 0.980 148 N HN 0.214 nan 8.380 nan 0.000 0.430 149 S N 0.593 116.306 115.700 0.022 0.000 2.402 149 S HA -0.018 4.466 4.470 0.024 0.000 0.229 149 S C 1.905 176.524 174.600 0.030 0.000 1.021 149 S CA 0.809 59.017 58.200 0.013 0.000 0.974 149 S CB -0.155 63.042 63.200 -0.005 0.000 0.800 149 S HN 0.311 nan 8.310 nan 0.000 0.484 150 A N 0.874 123.727 122.820 0.054 0.000 2.238 150 A HA 0.552 4.886 4.320 0.024 0.000 0.208 150 A C 1.706 179.328 177.584 0.064 0.000 1.177 150 A CA 0.470 52.549 52.037 0.070 0.000 0.804 150 A CB -1.217 17.851 19.000 0.114 0.000 0.823 150 A HN 1.511 nan 8.150 nan 0.000 0.482 151 G N -1.578 107.255 108.800 0.055 0.000 2.176 151 G HA2 -0.179 3.795 3.960 0.024 0.000 0.252 151 G HA3 -0.179 3.795 3.960 0.024 0.000 0.252 151 G C -0.079 174.843 174.900 0.038 0.000 1.024 151 G CA 0.528 45.650 45.100 0.037 0.000 0.755 151 G HN 0.368 nan 8.290 nan 0.000 0.507 155 V N 2.507 122.319 119.914 -0.171 0.000 2.483 155 V HA 0.581 4.716 4.120 0.024 0.000 0.295 155 V C -0.063 175.816 176.094 -0.357 0.000 1.035 155 V CA -0.669 61.483 62.300 -0.245 0.000 0.896 155 V CB 1.357 33.126 31.823 -0.090 0.000 0.986 155 V HN 0.493 nan 8.190 nan 0.000 0.447 156 R N 2.560 122.709 120.500 -0.584 0.000 2.807 156 R HA 0.617 4.972 4.340 0.024 0.000 0.276 156 R C -0.843 175.155 176.300 -0.502 0.000 0.979 156 R CA -0.772 54.874 56.100 -0.756 0.000 0.928 156 R CB 2.318 31.620 30.300 -1.663 0.000 1.191 156 R HN 0.744 nan 8.270 nan 0.000 0.471 157 E N 1.519 121.571 120.200 -0.247 0.000 2.195 157 E HA 0.324 4.688 4.350 0.024 0.000 0.271 157 E C -0.921 175.826 176.600 0.246 0.000 0.923 157 E CA -0.745 55.632 56.400 -0.038 0.000 0.790 157 E CB 1.744 31.409 29.700 -0.058 0.000 1.155 157 E HN 0.429 nan 8.360 nan 0.000 0.402 158 Y N -0.235 120.207 120.300 0.237 0.000 2.457 158 Y HA 0.736 5.300 4.550 0.024 0.000 0.333 158 Y C -0.100 175.890 175.900 0.149 0.000 1.119 158 Y CA -1.515 56.706 58.100 0.200 0.000 1.143 158 Y CB 0.680 39.198 38.460 0.097 0.000 1.230 158 Y HN 0.473 nan 8.280 nan 0.000 0.469 159 A N 2.032 125.022 122.820 0.283 0.000 2.386 159 A HA 0.368 4.702 4.320 0.024 0.000 0.248 159 A C -0.699 177.076 177.584 0.318 0.000 1.082 159 A CA 0.246 52.404 52.037 0.202 0.000 0.789 159 A CB -0.068 19.005 19.000 0.121 0.000 1.025 159 A HN 1.077 nan 8.150 nan 0.000 0.490 160 Y N 0.035 120.394 120.300 0.098 0.000 3.213 160 Y HA 0.212 4.776 4.550 0.024 0.000 0.208 160 Y C -0.251 175.718 175.900 0.116 0.000 1.044 160 Y CA 0.028 58.193 58.100 0.109 0.000 1.520 160 Y CB 0.182 38.652 38.460 0.017 0.000 1.447 160 Y HN 0.675 nan 8.280 nan 0.000 0.393 161 Y N 3.031 123.419 120.300 0.147 0.000 2.308 161 Y HA 0.367 4.932 4.550 0.025 0.000 0.329 161 Y C -0.572 175.316 175.900 -0.021 0.000 1.111 161 Y CA -1.224 56.916 58.100 0.067 0.000 1.179 161 Y CB 0.789 39.354 38.460 0.175 0.000 1.201 161 Y HN 0.127 nan 8.280 nan 0.000 0.483 162 D N 5.180 125.210 120.400 -0.616 0.000 2.479 162 D HA 0.289 4.943 4.640 0.024 0.000 0.218 162 D C 0.712 176.347 176.300 -1.108 0.000 1.131 162 D CA 0.369 53.996 54.000 -0.622 0.000 0.916 162 D CB 1.064 41.635 40.800 -0.382 0.000 1.022 162 D HN 0.845 nan 8.370 nan 0.000 0.515 163 A N 4.396 126.619 122.820 -0.996 0.000 1.869 163 A HA -0.268 4.066 4.320 0.024 0.000 0.218 163 A C 1.880 179.047 177.584 -0.696 0.000 1.203 163 A CA 2.093 53.640 52.037 -0.817 0.000 0.638 163 A CB -0.522 18.268 19.000 -0.349 0.000 0.831 163 A HN 0.732 nan 8.150 nan 0.000 0.450 164 E N -0.957 118.925 120.200 -0.530 0.000 2.150 164 E HA -0.178 4.187 4.350 0.024 0.000 0.193 164 E C 1.432 177.615 176.600 -0.695 0.000 0.985 164 E CA 1.460 57.565 56.400 -0.491 0.000 0.814 164 E CB -0.377 29.154 29.700 -0.281 0.000 0.752 164 E HN 0.574 nan 8.360 nan 0.000 0.466 165 N N -0.268 118.061 118.700 -0.618 0.000 2.373 165 N HA 0.024 4.778 4.740 0.024 0.000 0.181 165 N C -0.859 174.359 175.510 -0.487 0.000 1.082 165 N CA 0.445 53.212 53.050 -0.472 0.000 0.885 165 N CB 0.020 38.347 38.487 -0.265 0.000 0.977 165 N HN 0.254 nan 8.380 nan 0.000 0.462 166 H N -1.711 117.141 119.070 -0.362 0.000 2.765 166 H HA -0.151 4.420 4.556 0.024 0.000 0.332 166 H C -0.604 174.717 175.328 -0.012 0.000 1.180 166 H CA 0.876 56.795 56.048 -0.215 0.000 1.142 166 H CB -1.886 27.483 29.762 -0.656 0.000 1.576 166 H HN -0.001 nan 8.280 nan 0.000 0.420 167 T N -0.040 114.501 114.554 -0.021 0.000 2.739 167 T HA 0.384 4.748 4.350 0.024 0.000 0.303 167 T C -0.697 173.992 174.700 -0.019 0.000 1.389 167 T CA -0.926 61.189 62.100 0.025 0.000 1.001 167 T CB 1.803 70.648 68.868 -0.039 0.000 1.436 167 T HN 0.278 nan 8.240 nan 0.000 0.500 168 L N 2.502 123.684 121.223 -0.068 0.000 2.315 168 L HA 0.337 4.691 4.340 0.024 0.000 0.283 168 L C -0.379 176.412 176.870 -0.132 0.000 1.089 168 L CA -0.159 54.551 54.840 -0.217 0.000 0.833 168 L CB 0.511 42.403 42.059 -0.277 0.000 1.170 168 L HN 0.623 nan 8.230 nan 0.000 0.442 169 D N 4.583 124.902 120.400 -0.135 0.000 2.517 169 D HA -0.027 4.627 4.640 0.024 0.000 0.220 169 D C 0.887 177.190 176.300 0.005 0.000 1.158 169 D CA -0.000 53.963 54.000 -0.061 0.000 0.992 169 D CB 0.163 40.915 40.800 -0.080 0.000 1.058 169 D HN 0.500 nan 8.370 nan 0.000 0.516 170 F N 1.720 121.593 119.950 -0.130 0.000 2.161 170 F HA -0.217 4.324 4.527 0.024 0.000 0.300 170 F C 1.791 177.565 175.800 -0.043 0.000 1.089 170 F CA 1.123 59.065 58.000 -0.095 0.000 1.282 170 F CB 0.521 39.468 39.000 -0.088 0.000 1.010 170 F HN 0.258 nan 8.300 nan 0.000 0.485 171 D N 0.310 120.720 120.400 0.017 0.000 2.084 171 D HA -0.194 4.461 4.640 0.024 0.000 0.194 171 D C 2.350 178.600 176.300 -0.083 0.000 0.990 171 D CA 1.471 55.441 54.000 -0.049 0.000 0.826 171 D CB -0.597 40.201 40.800 -0.004 0.000 0.971 171 D HN 0.368 nan 8.370 nan 0.000 0.453 172 A N 1.298 124.089 122.820 -0.050 0.000 1.940 172 A HA -0.143 4.191 4.320 0.024 0.000 0.219 172 A C 2.285 179.851 177.584 -0.031 0.000 1.176 172 A CA 0.852 52.871 52.037 -0.031 0.000 0.631 172 A CB -0.800 18.192 19.000 -0.012 0.000 0.814 172 A HN 0.241 nan 8.150 nan 0.000 0.446 173 L N 0.320 121.503 121.223 -0.067 0.000 1.961 173 L HA -0.182 4.172 4.340 0.024 0.000 0.210 173 L C 2.584 179.346 176.870 -0.179 0.000 1.072 173 L CA 2.269 57.072 54.840 -0.061 0.000 0.749 173 L CB -0.381 41.604 42.059 -0.123 0.000 0.889 173 L HN 0.629 nan 8.230 nan 0.000 0.432 174 I N -2.556 117.822 120.570 -0.321 0.000 2.361 174 I HA -0.230 3.954 4.170 0.024 0.000 0.251 174 I C 1.891 177.935 176.117 -0.121 0.000 1.133 174 I CA 1.384 62.543 61.300 -0.236 0.000 1.413 174 I CB -0.757 37.068 38.000 -0.291 0.000 1.073 174 I HN 0.316 nan 8.210 nan 0.000 0.424 175 N N 1.467 120.105 118.700 -0.102 0.000 2.270 175 N HA -0.072 4.683 4.740 0.024 0.000 0.181 175 N C 2.020 177.502 175.510 -0.046 0.000 1.016 175 N CA 1.481 54.496 53.050 -0.057 0.000 0.870 175 N CB -0.153 38.311 38.487 -0.039 0.000 0.979 175 N HN 0.419 nan 8.380 nan 0.000 0.431 176 S N 0.842 116.520 115.700 -0.037 0.000 2.368 176 S HA -0.012 4.472 4.470 0.024 0.000 0.224 176 S C 1.700 176.200 174.600 -0.166 0.000 1.029 176 S CA 0.428 58.625 58.200 -0.005 0.000 0.988 176 S CB -0.132 63.136 63.200 0.113 0.000 0.838 176 S HN 0.128 nan 8.310 nan 0.000 0.462 177 L N 2.774 123.839 121.223 -0.264 0.000 2.456 177 L HA 0.122 4.476 4.340 0.024 0.000 0.224 177 L C 1.633 178.329 176.870 -0.290 0.000 1.148 177 L CA 0.949 55.480 54.840 -0.515 0.000 0.825 177 L CB -1.177 40.550 42.059 -0.554 0.000 0.937 177 L HN 0.260 nan 8.230 nan 0.000 0.450 178 N N -0.486 118.143 118.700 -0.119 0.000 2.520 178 N HA -0.167 4.587 4.740 0.024 0.000 0.185 178 N C 1.528 176.997 175.510 -0.067 0.000 1.068 178 N CA 0.456 53.484 53.050 -0.037 0.000 0.911 178 N CB 0.194 38.670 38.487 -0.019 0.000 0.961 178 N HN 0.490 nan 8.380 nan 0.000 0.446 179 E N 0.757 120.874 120.200 -0.139 0.000 2.435 179 E HA 0.062 4.426 4.350 0.024 0.000 0.195 179 E C -0.011 176.533 176.600 -0.093 0.000 1.029 179 E CA -0.167 56.205 56.400 -0.048 0.000 0.865 179 E CB 0.276 30.021 29.700 0.076 0.000 0.833 179 E HN 0.158 nan 8.360 nan 0.000 0.510 180 A N 1.906 124.443 122.820 -0.471 0.000 2.425 180 A HA 0.137 4.471 4.320 0.024 0.000 0.249 180 A C 0.277 177.848 177.584 -0.022 0.000 1.084 180 A CA -0.328 51.423 52.037 -0.476 0.000 0.781 180 A CB 0.321 18.630 19.000 -1.152 0.000 1.019 180 A HN 0.239 nan 8.150 nan 0.000 0.490 181 Q N 1.358 121.226 119.800 0.113 0.000 2.306 181 Q HA 0.726 5.081 4.340 0.024 0.000 0.269 181 Q C -0.116 175.993 176.000 0.182 0.000 1.053 181 Q CA -0.727 55.158 55.803 0.136 0.000 0.879 181 Q CB 1.463 30.270 28.738 0.115 0.000 1.344 181 Q HN 0.875 nan 8.270 nan 0.000 0.464 182 A N -0.011 122.896 122.820 0.144 0.000 2.546 182 A HA 0.406 4.740 4.320 0.024 0.000 0.243 182 A C 1.171 178.838 177.584 0.139 0.000 1.063 182 A CA 0.948 53.069 52.037 0.140 0.000 0.757 182 A CB -1.080 17.967 19.000 0.078 0.000 0.991 182 A HN 1.409 nan 8.150 nan 0.000 0.503 183 G N 2.119 111.017 108.800 0.163 0.000 2.176 183 G HA2 -0.166 3.808 3.960 0.024 0.000 0.232 183 G HA3 -0.166 3.808 3.960 0.024 0.000 0.232 183 G C -0.119 174.869 174.900 0.147 0.000 0.986 183 G CA 0.252 45.434 45.100 0.137 0.000 0.643 183 G HN 0.801 nan 8.290 nan 0.000 0.522 184 D N 0.089 120.600 120.400 0.186 0.000 2.283 184 D HA 0.539 5.193 4.640 0.024 0.000 0.248 184 D C 0.621 177.012 176.300 0.152 0.000 1.072 184 D CA -0.213 53.896 54.000 0.183 0.000 0.929 184 D CB 1.847 42.809 40.800 0.269 0.000 1.182 184 D HN 0.117 nan 8.370 nan 0.000 0.433 185 V N 1.556 121.529 119.914 0.098 0.000 2.509 185 V HA 0.296 4.430 4.120 0.024 0.000 0.284 185 V C 0.162 176.233 176.094 -0.038 0.000 1.047 185 V CA -0.542 61.776 62.300 0.030 0.000 0.952 185 V CB 1.711 33.501 31.823 -0.055 0.000 0.988 185 V HN 0.217 nan 8.190 nan 0.000 0.469 186 V N 5.817 125.648 119.914 -0.140 0.000 2.444 186 V HA 0.391 4.526 4.120 0.024 0.000 0.294 186 V C -0.430 175.380 176.094 -0.474 0.000 1.022 186 V CA -0.639 61.422 62.300 -0.399 0.000 0.850 186 V CB 1.675 33.018 31.823 -0.800 0.000 0.992 186 V HN 0.668 nan 8.190 nan 0.000 0.426 187 L N 6.176 127.136 121.223 -0.437 0.000 2.265 187 L HA 0.656 5.010 4.340 0.024 0.000 0.288 187 L C -1.106 175.484 176.870 -0.466 0.000 1.058 187 L CA 0.412 55.031 54.840 -0.368 0.000 0.809 187 L CB 0.386 42.276 42.059 -0.283 0.000 1.179 187 L HN 0.422 nan 8.230 nan 0.000 0.429 188 F N 3.546 123.320 119.950 -0.293 0.000 2.495 188 F HA 0.452 4.993 4.527 0.023 0.000 0.327 188 F C 0.372 176.121 175.800 -0.085 0.000 1.103 188 F CA -0.553 57.309 58.000 -0.231 0.000 0.949 188 F CB 1.220 39.746 39.000 -0.790 0.000 1.142 188 F HN 0.432 nan 8.300 nan 0.000 0.457 189 H N 1.750 121.002 119.070 0.303 0.000 2.690 189 H HA 0.141 4.712 4.556 0.024 0.000 0.314 189 H C 0.986 176.564 175.328 0.417 0.000 1.069 189 H CA 0.187 56.414 56.048 0.299 0.000 1.436 189 H CB 1.598 31.521 29.762 0.268 0.000 1.462 189 H HN 0.969 nan 8.280 nan 0.000 0.511 190 G N 2.813 111.811 108.800 0.330 0.000 2.422 190 G HA2 -0.127 3.847 3.960 0.024 0.000 0.218 190 G HA3 -0.127 3.847 3.960 0.024 0.000 0.218 190 G C 0.527 175.542 174.900 0.191 0.000 1.146 190 G CA 1.060 46.116 45.100 -0.073 0.000 0.769 190 G HN 0.774 nan 8.290 nan 0.000 0.547 191 C N -4.983 114.590 119.300 0.454 0.000 3.292 191 C HA 0.494 4.968 4.460 0.024 0.000 0.338 191 C C 0.359 175.639 174.990 0.483 0.000 1.323 191 C CA -0.977 58.345 59.018 0.507 0.000 1.232 191 C CB 0.605 28.651 27.740 0.510 0.000 1.517 191 C HN 0.847 nan 8.230 nan 0.000 0.470 192 C N 1.671 121.192 119.300 0.369 0.000 3.896 192 C HA -0.152 4.322 4.460 0.024 0.000 0.300 192 C C 0.476 175.592 174.990 0.210 0.000 1.322 192 C CA 1.250 60.395 59.018 0.212 0.000 2.130 192 C CB -3.441 24.318 27.740 0.031 0.000 1.363 192 C HN 1.518 nan 8.230 nan 0.000 0.642 193 H N 0.662 119.843 119.070 0.185 0.000 3.192 193 H HA 0.325 4.896 4.556 0.024 0.000 0.295 193 H C 0.560 175.869 175.328 -0.032 0.000 0.943 193 H CA 1.280 57.346 56.048 0.030 0.000 1.416 193 H CB 0.464 30.200 29.762 -0.044 0.000 1.434 193 H HN 0.774 nan 8.280 nan 0.000 0.565 194 A N 7.099 129.673 122.820 -0.411 0.000 2.289 194 A HA 0.308 4.642 4.320 0.024 0.000 0.298 194 A C -1.941 175.392 177.584 -0.419 0.000 1.208 194 A CA -1.307 50.592 52.037 -0.230 0.000 0.845 194 A CB 0.707 19.739 19.000 0.054 0.000 1.125 194 A HN 0.810 nan 8.150 nan 0.000 0.517 195 P HA 0.050 nan 4.420 nan 0.000 0.272 195 P C 0.891 178.027 177.300 -0.274 0.000 1.408 195 P CA 0.525 63.440 63.100 -0.309 0.000 0.996 195 P CB 0.337 31.757 31.700 -0.467 0.000 1.481 196 T N -5.120 109.458 114.554 0.039 0.000 3.054 196 T HA 0.226 4.591 4.350 0.024 0.000 0.259 196 T C 1.680 176.452 174.700 0.121 0.000 1.092 196 T CA 1.037 63.150 62.100 0.022 0.000 1.121 196 T CB -1.052 67.880 68.868 0.107 0.000 0.912 196 T HN 0.149 nan 8.240 nan 0.000 0.489 197 G N 1.742 110.651 108.800 0.182 0.000 2.168 197 G HA2 -0.186 3.788 3.960 0.024 0.000 0.263 197 G HA3 -0.186 3.788 3.960 0.024 0.000 0.263 197 G C 0.018 175.060 174.900 0.236 0.000 0.977 197 G CA 0.199 45.408 45.100 0.182 0.000 0.659 197 G HN 0.615 nan 8.290 nan 0.000 0.533 198 I N 1.243 121.986 120.570 0.288 0.000 2.331 198 I HA 0.459 4.643 4.170 0.024 0.000 0.292 198 I C -0.460 175.837 176.117 0.301 0.000 0.998 198 I CA -0.812 60.645 61.300 0.262 0.000 1.267 198 I CB 1.195 39.338 38.000 0.238 0.000 1.386 198 I HN -0.071 nan 8.210 nan 0.000 0.476 199 D N 7.241 127.782 120.400 0.234 0.000 2.342 199 D HA 0.481 5.136 4.640 0.024 0.000 0.243 199 D C -2.390 173.936 176.300 0.042 0.000 1.019 199 D CA -1.288 52.862 54.000 0.250 0.000 0.864 199 D CB 1.896 42.892 40.800 0.326 0.000 1.315 199 D HN 0.196 nan 8.370 nan 0.000 0.468 200 P HA 0.073 nan 4.420 nan 0.000 0.269 200 P C 0.080 177.217 177.300 -0.272 0.000 1.209 200 P CA 0.012 62.819 63.100 -0.489 0.000 0.776 200 P CB 0.492 31.501 31.700 -1.151 0.000 0.876 201 T N 1.742 116.163 114.554 -0.222 0.000 2.813 201 T HA 0.029 4.393 4.350 0.024 0.000 0.297 201 T C 1.374 176.121 174.700 0.077 0.000 1.036 201 T CA -0.283 61.790 62.100 -0.046 0.000 1.044 201 T CB 0.119 68.914 68.868 -0.122 0.000 0.993 201 T HN 0.269 nan 8.240 nan 0.000 0.535 202 L N 2.476 123.819 121.223 0.200 0.000 2.079 202 L HA -0.038 4.316 4.340 0.024 0.000 0.210 202 L C 2.199 179.184 176.870 0.191 0.000 1.081 202 L CA 1.921 56.931 54.840 0.283 0.000 0.752 202 L CB -0.748 41.423 42.059 0.186 0.000 0.896 202 L HN 0.747 nan 8.230 nan 0.000 0.433 203 E N -1.078 119.165 120.200 0.072 0.000 2.106 203 E HA -0.241 4.124 4.350 0.024 0.000 0.192 203 E C 2.157 178.760 176.600 0.006 0.000 0.984 203 E CA 1.249 57.668 56.400 0.033 0.000 0.806 203 E CB -0.084 29.608 29.700 -0.015 0.000 0.750 203 E HN 0.660 nan 8.360 nan 0.000 0.458 204 Q N -0.542 119.183 119.800 -0.126 0.000 2.119 204 Q HA -0.157 4.197 4.340 0.024 0.000 0.201 204 Q C 1.775 177.819 176.000 0.074 0.000 0.972 204 Q CA 1.193 56.823 55.803 -0.288 0.000 0.847 204 Q CB -0.128 28.127 28.738 -0.804 0.000 0.903 204 Q HN 0.417 nan 8.270 nan 0.000 0.433 205 W N 1.174 122.540 121.300 0.110 0.000 2.358 205 W HA -0.209 4.465 4.660 0.024 0.000 0.303 205 W C 2.288 178.896 176.519 0.148 0.000 1.208 205 W CA 0.792 58.267 57.345 0.216 0.000 1.274 205 W CB 0.104 29.692 29.460 0.212 0.000 1.138 205 W HN 0.218 nan 8.180 nan 0.000 0.515 206 Q N -0.810 119.173 119.800 0.305 0.000 2.224 206 Q HA -0.159 4.195 4.340 0.024 0.000 0.203 206 Q C 2.231 178.276 176.000 0.075 0.000 0.970 206 Q CA 2.040 57.919 55.803 0.126 0.000 0.865 206 Q CB -0.426 28.364 28.738 0.087 0.000 0.922 206 Q HN 0.347 nan 8.270 nan 0.000 0.445 207 T N -1.395 113.239 114.554 0.133 0.000 2.942 207 T HA -0.047 4.318 4.350 0.024 0.000 0.265 207 T C 1.736 176.514 174.700 0.129 0.000 1.062 207 T CA 0.271 62.444 62.100 0.121 0.000 1.139 207 T CB -0.082 68.901 68.868 0.192 0.000 0.883 207 T HN 0.012 nan 8.240 nan 0.000 0.468 208 L N 1.966 123.341 121.223 0.254 0.000 2.046 208 L HA 0.205 4.559 4.340 0.024 0.000 0.208 208 L C 3.076 179.956 176.870 0.016 0.000 1.077 208 L CA 1.537 56.559 54.840 0.304 0.000 0.747 208 L CB -1.604 40.770 42.059 0.525 0.000 0.896 208 L HN 0.453 nan 8.230 nan 0.000 0.432 209 A N -1.458 121.141 122.820 -0.369 0.000 1.877 209 A HA -0.270 4.064 4.320 0.024 0.000 0.216 209 A C 2.239 179.597 177.584 -0.376 0.000 1.186 209 A CA 1.748 53.260 52.037 -0.874 0.000 0.620 209 A CB -0.502 18.069 19.000 -0.715 0.000 0.822 209 A HN 0.524 nan 8.150 nan 0.000 0.443 210 Q N -1.296 118.365 119.800 -0.232 0.000 2.084 210 Q HA -0.149 4.205 4.340 0.024 0.000 0.202 210 Q C 2.101 177.961 176.000 -0.234 0.000 0.978 210 Q CA 1.488 57.174 55.803 -0.195 0.000 0.844 210 Q CB -0.278 28.389 28.738 -0.118 0.000 0.898 210 Q HN 0.580 nan 8.270 nan 0.000 0.426 211 L N 0.072 121.157 121.223 -0.229 0.000 2.046 211 L HA -0.172 4.182 4.340 0.024 0.000 0.208 211 L C 2.324 178.773 176.870 -0.701 0.000 1.077 211 L CA 1.835 56.463 54.840 -0.353 0.000 0.747 211 L CB -0.789 41.127 42.059 -0.238 0.000 0.896 211 L HN 0.080 nan 8.230 nan 0.000 0.432 212 S N -1.062 114.232 115.700 -0.678 0.000 2.359 212 S HA -0.179 4.306 4.470 0.024 0.000 0.224 212 S C 2.059 176.445 174.600 -0.356 0.000 1.035 212 S CA 1.938 59.746 58.200 -0.654 0.000 1.018 212 S CB -0.605 62.775 63.200 0.300 0.000 0.876 212 S HN 0.474 nan 8.310 nan 0.000 0.448 213 V N 0.097 119.818 119.914 -0.321 0.000 2.427 213 V HA -0.044 4.091 4.120 0.024 0.000 0.248 213 V C 2.310 178.241 176.094 -0.271 0.000 1.051 213 V CA 2.183 64.275 62.300 -0.347 0.000 1.048 213 V CB -1.216 30.345 31.823 -0.437 0.000 0.666 213 V HN 0.599 nan 8.190 nan 0.000 0.456 214 E N 0.757 120.777 120.200 -0.301 0.000 2.110 214 E HA -0.195 4.169 4.350 0.024 0.000 0.193 214 E C 2.066 178.517 176.600 -0.247 0.000 0.988 214 E CA 1.321 57.575 56.400 -0.242 0.000 0.804 214 E CB -0.039 29.524 29.700 -0.230 0.000 0.745 214 E HN 0.642 nan 8.360 nan 0.000 0.458 215 K N -0.947 119.218 120.400 -0.391 0.000 2.404 215 K HA 0.109 4.443 4.320 0.024 0.000 0.194 215 K C 0.571 177.055 176.600 -0.193 0.000 1.023 215 K CA 0.519 56.620 56.287 -0.310 0.000 1.094 215 K CB 0.959 33.221 32.500 -0.396 0.000 0.841 215 K HN 0.275 nan 8.250 nan 0.000 0.523 216 G N 1.994 110.688 108.800 -0.177 0.000 2.212 216 G HA2 -0.170 3.805 3.960 0.024 0.000 0.255 216 G HA3 -0.170 3.805 3.960 0.024 0.000 0.255 216 G C -0.458 174.554 174.900 0.186 0.000 1.062 216 G CA -0.382 44.725 45.100 0.012 0.000 0.815 216 G HN 0.127 nan 8.290 nan 0.000 0.497 217 W N -0.677 120.701 121.300 0.129 0.000 2.184 217 W HA 0.639 5.313 4.660 0.024 0.000 0.338 217 W C 0.562 177.195 176.519 0.191 0.000 1.257 217 W CA -1.496 55.929 57.345 0.134 0.000 1.243 217 W CB 0.517 30.064 29.460 0.145 0.000 1.122 217 W HN 0.114 nan 8.180 nan 0.000 0.585 218 L N 7.027 128.478 121.223 0.380 0.000 2.262 218 L HA 0.358 4.712 4.340 0.024 0.000 0.288 218 L C -2.134 174.897 176.870 0.268 0.000 1.035 218 L CA -1.863 53.155 54.840 0.296 0.000 0.820 218 L CB 1.242 43.431 42.059 0.216 0.000 1.204 218 L HN 0.070 nan 8.230 nan 0.000 0.424 219 P HA 0.179 nan 4.420 nan 0.000 0.281 219 P C -1.071 176.348 177.300 0.198 0.000 1.252 219 P CA -0.373 62.884 63.100 0.260 0.000 0.778 219 P CB 1.695 33.580 31.700 0.309 0.000 0.895 220 L N 4.926 126.208 121.223 0.098 0.000 2.343 220 L HA 0.479 4.833 4.340 0.024 0.000 0.278 220 L C -1.005 175.906 176.870 0.069 0.000 0.996 220 L CA -1.000 53.917 54.840 0.128 0.000 0.831 220 L CB 0.688 42.800 42.059 0.088 0.000 1.232 220 L HN 0.216 nan 8.230 nan 0.000 0.413 221 F N 2.842 122.820 119.950 0.046 0.000 2.408 221 F HA 0.273 4.814 4.527 0.024 0.000 0.344 221 F C 0.317 176.122 175.800 0.008 0.000 1.112 221 F CA -0.286 57.710 58.000 -0.006 0.000 1.096 221 F CB 1.380 40.293 39.000 -0.145 0.000 1.129 221 F HN 0.410 nan 8.300 nan 0.000 0.486 222 D N 3.845 124.319 120.400 0.123 0.000 2.329 222 D HA 0.169 4.823 4.640 0.024 0.000 0.232 222 D C -1.396 174.996 176.300 0.153 0.000 1.088 222 D CA -0.149 53.893 54.000 0.070 0.000 0.835 222 D CB 0.450 41.212 40.800 -0.064 0.000 1.078 222 D HN 0.157 nan 8.370 nan 0.000 0.495 223 F N 3.578 123.521 119.950 -0.013 0.000 2.451 223 F HA 0.495 5.038 4.527 0.026 0.000 0.367 223 F C 0.459 176.164 175.800 -0.157 0.000 1.100 223 F CA -1.343 56.642 58.000 -0.025 0.000 1.171 223 F CB 0.825 39.790 39.000 -0.058 0.000 1.405 223 F HN 0.493 nan 8.300 nan 0.000 0.482 224 A N 3.340 126.161 122.820 0.001 0.000 2.252 224 A HA 0.135 4.470 4.320 0.024 0.000 0.213 224 A C 0.039 177.292 177.584 -0.553 0.000 1.188 224 A CA 0.396 52.194 52.037 -0.398 0.000 0.863 224 A CB -0.219 18.373 19.000 -0.679 0.000 0.893 224 A HN 0.531 nan 8.150 nan 0.000 0.495 225 Y N 0.246 120.599 120.300 0.088 0.000 2.669 225 Y HA 0.305 4.870 4.550 0.024 0.000 0.302 225 Y C 0.556 176.593 175.900 0.227 0.000 1.000 225 Y CA -0.551 57.635 58.100 0.143 0.000 1.222 225 Y CB 0.180 38.705 38.460 0.108 0.000 1.209 225 Y HN 0.331 nan 8.280 nan 0.000 0.571 226 Q N 0.594 120.401 119.800 0.012 0.000 2.289 226 Q HA 0.356 4.711 4.340 0.024 0.000 0.273 226 Q C 1.127 177.152 176.000 0.041 0.000 1.029 226 Q CA 1.268 56.979 55.803 -0.154 0.000 0.896 226 Q CB 0.580 28.906 28.738 -0.688 0.000 1.182 226 Q HN 0.813 nan 8.270 nan 0.000 0.385 227 G N 3.221 112.041 108.800 0.034 0.000 2.234 227 G HA2 -0.284 3.691 3.960 0.024 0.000 0.235 227 G HA3 -0.284 3.691 3.960 0.024 0.000 0.235 227 G C 0.252 175.061 174.900 -0.151 0.000 0.997 227 G CA 0.155 45.189 45.100 -0.110 0.000 0.623 227 G HN 0.675 nan 8.290 nan 0.000 0.514 228 F N 1.307 121.287 119.950 0.051 0.000 2.743 228 F HA 0.521 5.061 4.527 0.022 0.000 0.297 228 F C 2.572 178.403 175.800 0.052 0.000 1.131 228 F CA 1.350 59.381 58.000 0.050 0.000 1.426 228 F CB 0.229 39.298 39.000 0.116 0.000 1.116 228 F HN 0.365 nan 8.300 nan 0.000 0.583 229 A N 0.018 122.975 122.820 0.229 0.000 1.881 229 A HA 0.151 4.485 4.320 0.024 0.000 0.210 229 A C 2.005 179.652 177.584 0.105 0.000 1.239 229 A CA 0.917 53.061 52.037 0.178 0.000 0.629 229 A CB -0.059 19.073 19.000 0.219 0.000 0.906 229 A HN 0.241 nan 8.150 nan 0.000 0.460 230 R N -2.753 117.796 120.500 0.083 0.000 2.428 230 R HA 0.409 4.764 4.340 0.024 0.000 0.193 230 R C 0.565 176.860 176.300 -0.007 0.000 0.852 230 R CA 0.760 56.885 56.100 0.042 0.000 1.055 230 R CB 1.315 31.654 30.300 0.065 0.000 1.343 230 R HN 0.653 nan 8.270 nan 0.000 0.655 234 E N 1.236 121.437 120.200 0.002 0.000 2.158 234 E HA -0.126 4.238 4.350 0.024 0.000 0.191 234 E C 1.534 178.162 176.600 0.047 0.000 0.982 234 E CA 1.211 57.625 56.400 0.023 0.000 0.823 234 E CB 0.219 29.927 29.700 0.013 0.000 0.766 234 E HN 0.450 nan 8.360 nan 0.000 0.468 235 E N 1.145 121.375 120.200 0.050 0.000 2.077 235 E HA -0.152 4.212 4.350 0.024 0.000 0.193 235 E C 1.592 178.262 176.600 0.116 0.000 0.989 235 E CA 1.238 57.682 56.400 0.073 0.000 0.800 235 E CB -0.109 29.631 29.700 0.067 0.000 0.746 235 E HN 0.146 nan 8.360 nan 0.000 0.452 236 D N -0.216 120.273 120.400 0.150 0.000 2.264 236 D HA -0.059 4.596 4.640 0.024 0.000 0.208 236 D C 1.437 177.938 176.300 0.336 0.000 0.966 236 D CA 1.146 55.302 54.000 0.260 0.000 0.864 236 D CB -0.123 40.848 40.800 0.284 0.000 0.933 236 D HN 0.218 nan 8.370 nan 0.000 0.499 237 A N 0.216 123.189 122.820 0.254 0.000 2.178 237 A HA -0.022 4.312 4.320 0.024 0.000 0.211 237 A C 1.884 179.443 177.584 -0.042 0.000 1.157 237 A CA 0.299 52.452 52.037 0.193 0.000 0.780 237 A CB -0.232 18.860 19.000 0.152 0.000 0.828 237 A HN 0.082 nan 8.150 nan 0.000 0.476 238 E N -0.124 120.065 120.200 -0.018 0.000 2.108 238 E HA -0.248 4.117 4.350 0.024 0.000 0.203 238 E C 2.052 178.543 176.600 -0.181 0.000 1.022 238 E CA 1.431 57.803 56.400 -0.047 0.000 0.823 238 E CB -0.311 29.407 29.700 0.031 0.000 0.744 238 E HN 0.617 nan 8.360 nan 0.000 0.456 239 G N 0.774 109.295 108.800 -0.465 0.000 2.402 239 G HA2 -0.248 3.726 3.960 0.024 0.000 0.216 239 G HA3 -0.248 3.726 3.960 0.024 0.000 0.216 239 G C 1.498 175.961 174.900 -0.730 0.000 1.162 239 G CA 0.742 45.248 45.100 -0.990 0.000 0.777 239 G HN 0.221 nan 8.290 nan 0.000 0.539 240 L N 0.663 121.333 121.223 -0.921 0.000 2.046 240 L HA 0.047 4.401 4.340 0.024 0.000 0.208 240 L C 2.775 179.423 176.870 -0.370 0.000 1.077 240 L CA 1.733 55.913 54.840 -1.101 0.000 0.747 240 L CB -0.508 40.877 42.059 -1.124 0.000 0.896 240 L HN 0.141 nan 8.230 nan 0.000 0.432 241 R N -0.449 119.943 120.500 -0.179 0.000 2.148 241 R HA 0.006 4.361 4.340 0.024 0.000 0.227 241 R C 2.281 178.594 176.300 0.022 0.000 1.103 241 R CA 0.974 57.073 56.100 -0.001 0.000 0.983 241 R CB -0.588 29.727 30.300 0.025 0.000 0.874 241 R HN 0.532 nan 8.270 nan 0.000 0.451 242 A N 0.661 123.490 122.820 0.016 0.000 1.902 242 A HA -0.151 4.183 4.320 0.024 0.000 0.217 242 A C 1.862 179.509 177.584 0.105 0.000 1.181 242 A CA 1.174 53.251 52.037 0.067 0.000 0.623 242 A CB -0.547 18.520 19.000 0.111 0.000 0.818 242 A HN 0.221 nan 8.150 nan 0.000 0.443 243 F N -0.064 119.886 119.950 0.001 0.000 2.128 243 F HA -0.047 4.494 4.527 0.024 0.000 0.295 243 F C 2.808 178.704 175.800 0.160 0.000 1.100 243 F CA 1.070 59.153 58.000 0.137 0.000 1.260 243 F CB -0.252 38.804 39.000 0.093 0.000 1.009 243 F HN 0.256 nan 8.300 nan 0.000 0.476 244 A N -0.057 122.894 122.820 0.218 0.000 2.024 244 A HA -0.124 4.211 4.320 0.024 0.000 0.220 244 A C 2.284 179.895 177.584 0.045 0.000 1.164 244 A CA 1.593 53.689 52.037 0.097 0.000 0.643 244 A CB -1.189 17.816 19.000 0.008 0.000 0.806 244 A HN 0.336 nan 8.150 nan 0.000 0.451 245 A N -1.271 121.577 122.820 0.047 0.000 2.015 245 A HA 0.034 4.368 4.320 0.024 0.000 0.219 245 A C 2.109 179.692 177.584 -0.002 0.000 1.163 245 A CA 1.689 53.731 52.037 0.009 0.000 0.646 245 A CB -0.317 18.686 19.000 0.006 0.000 0.806 245 A HN 0.520 nan 8.150 nan 0.000 0.448 246 M N -1.752 117.859 119.600 0.017 0.000 2.421 246 M HA 0.154 4.648 4.480 0.024 0.000 0.258 246 M C -0.149 176.078 176.300 -0.122 0.000 1.122 246 M CA 0.132 55.389 55.300 -0.072 0.000 1.078 246 M CB 0.406 32.917 32.600 -0.148 0.000 1.380 246 M HN 0.296 nan 8.290 nan 0.000 0.499 247 H N 0.574 119.655 119.070 0.018 0.000 2.473 247 H HA 0.204 4.774 4.556 0.024 0.000 0.327 247 H C 0.261 175.613 175.328 0.039 0.000 1.105 247 H CA 0.137 56.221 56.048 0.059 0.000 1.280 247 H CB 1.540 31.400 29.762 0.162 0.000 1.450 247 H HN 0.083 nan 8.280 nan 0.000 0.492 248 K N 1.791 122.263 120.400 0.121 0.000 2.155 248 K HA -0.056 4.278 4.320 0.024 0.000 0.203 248 K C -0.189 176.483 176.600 0.119 0.000 1.052 248 K CA 1.079 57.417 56.287 0.084 0.000 0.948 248 K CB 0.369 32.904 32.500 0.059 0.000 0.728 248 K HN 0.624 nan 8.250 nan 0.000 0.448 249 E N 0.069 120.384 120.200 0.193 0.000 2.356 249 E HA 0.563 4.927 4.350 0.024 0.000 0.275 249 E C -1.281 175.454 176.600 0.225 0.000 0.904 249 E CA -0.656 55.854 56.400 0.184 0.000 0.757 249 E CB 2.696 32.508 29.700 0.186 0.000 1.232 249 E HN 0.035 nan 8.360 nan 0.000 0.442 250 L N 0.422 121.763 121.223 0.198 0.000 2.794 250 L HA 0.636 4.990 4.340 0.024 0.000 0.261 250 L C -2.020 174.982 176.870 0.219 0.000 0.989 250 L CA -0.704 54.266 54.840 0.217 0.000 0.900 250 L CB 1.477 43.666 42.059 0.215 0.000 1.473 250 L HN 0.676 nan 8.230 nan 0.000 0.414 251 I N 2.934 123.647 120.570 0.239 0.000 2.545 251 I HA 0.649 4.833 4.170 0.024 0.000 0.292 251 I C -1.003 175.258 176.117 0.239 0.000 1.040 251 I CA -1.018 60.417 61.300 0.226 0.000 1.068 251 I CB 2.104 40.243 38.000 0.233 0.000 1.251 251 I HN 0.436 nan 8.210 nan 0.000 0.424 252 V N 5.623 125.662 119.914 0.208 0.000 2.531 252 V HA 0.827 4.961 4.120 0.024 0.000 0.301 252 V C -0.552 175.627 176.094 0.141 0.000 1.034 252 V CA -0.218 62.196 62.300 0.189 0.000 0.865 252 V CB 1.639 33.539 31.823 0.129 0.000 0.995 252 V HN 0.811 nan 8.190 nan 0.000 0.424 253 A N 5.531 128.437 122.820 0.143 0.000 2.253 253 A HA 0.838 5.172 4.320 0.024 0.000 0.316 253 A C 0.223 177.835 177.584 0.046 0.000 1.327 253 A CA 0.033 52.128 52.037 0.097 0.000 0.917 253 A CB 0.476 19.540 19.000 0.107 0.000 1.162 253 A HN 1.467 nan 8.150 nan 0.000 0.535 254 S N 1.523 117.208 115.700 -0.025 0.000 2.621 254 S HA 0.841 5.325 4.470 0.024 0.000 0.302 254 S C -0.090 174.367 174.600 -0.237 0.000 1.093 254 S CA -0.526 57.584 58.200 -0.151 0.000 1.017 254 S CB 1.736 64.772 63.200 -0.272 0.000 1.077 254 S HN 1.114 nan 8.310 nan 0.000 0.517 255 S N -0.173 115.310 115.700 -0.361 0.000 2.542 255 S HA 0.625 5.109 4.470 0.024 0.000 0.293 255 S C -1.415 172.926 174.600 -0.431 0.000 1.089 255 S CA -0.603 57.416 58.200 -0.301 0.000 0.961 255 S CB 0.851 63.887 63.200 -0.273 0.000 1.062 255 S HN 0.700 nan 8.310 nan 0.000 0.483 256 Y N 1.876 122.122 120.300 -0.090 0.000 2.612 256 Y HA 0.296 4.863 4.550 0.028 0.000 0.250 256 Y C 2.125 177.977 175.900 -0.080 0.000 1.175 256 Y CA -0.219 57.853 58.100 -0.047 0.000 1.205 256 Y CB 0.275 38.634 38.460 -0.167 0.000 1.201 256 Y HN 0.608 nan 8.280 nan 0.000 0.532 257 S N 0.255 115.915 115.700 -0.067 0.000 2.370 257 S HA -0.198 4.287 4.470 0.024 0.000 0.226 257 S C 1.761 176.002 174.600 -0.599 0.000 1.033 257 S CA 1.787 59.821 58.200 -0.277 0.000 1.011 257 S CB -0.005 63.104 63.200 -0.151 0.000 0.852 257 S HN 0.384 nan 8.310 nan 0.000 0.457 258 K N 1.670 121.889 120.400 -0.301 0.000 2.141 258 K HA 0.124 4.458 4.320 0.024 0.000 0.202 258 K C 1.763 178.480 176.600 0.194 0.000 1.045 258 K CA 0.979 57.175 56.287 -0.151 0.000 0.971 258 K CB -0.240 32.167 32.500 -0.154 0.000 0.795 258 K HN 0.575 nan 8.250 nan 0.000 0.459 259 N N -0.399 118.508 118.700 0.344 0.000 2.512 259 N HA -0.079 4.675 4.740 0.024 0.000 0.183 259 N C 0.746 176.439 175.510 0.306 0.000 1.073 259 N CA 0.657 53.953 53.050 0.410 0.000 0.911 259 N CB 0.038 38.765 38.487 0.399 0.000 0.964 259 N HN 0.067 nan 8.380 nan 0.000 0.447 260 F N 0.070 120.124 119.950 0.173 0.000 2.682 260 F HA 0.374 4.912 4.527 0.019 0.000 0.308 260 F C 1.457 177.255 175.800 -0.003 0.000 1.093 260 F CA -0.094 57.964 58.000 0.097 0.000 1.244 260 F CB 0.884 39.834 39.000 -0.084 0.000 1.052 260 F HN 0.092 nan 8.300 nan 0.000 0.573 261 G N 1.494 110.314 108.800 0.032 0.000 2.283 261 G HA2 -0.316 3.658 3.960 0.024 0.000 0.280 261 G HA3 -0.316 3.658 3.960 0.024 0.000 0.280 261 G C 0.445 175.300 174.900 -0.075 0.000 1.029 261 G CA 0.302 45.357 45.100 -0.076 0.000 0.840 261 G HN 0.421 nan 8.290 nan 0.000 0.505 262 L N -0.364 120.759 121.223 -0.167 0.000 2.984 262 L HA 0.305 4.659 4.340 0.024 0.000 0.246 262 L C 2.065 178.912 176.870 -0.037 0.000 1.268 262 L CA -0.812 54.003 54.840 -0.042 0.000 1.054 262 L CB -0.292 41.744 42.059 -0.039 0.000 1.393 262 L HN 0.324 nan 8.230 nan 0.000 0.532 263 Y N 0.889 121.243 120.300 0.089 0.000 2.029 263 Y HA -0.391 4.172 4.550 0.022 0.000 0.269 263 Y C 2.405 178.330 175.900 0.042 0.000 1.201 263 Y CA 2.092 60.230 58.100 0.064 0.000 1.115 263 Y CB -0.592 37.911 38.460 0.072 0.000 0.945 263 Y HN 0.566 nan 8.280 nan 0.000 0.497 264 N N -0.294 118.541 118.700 0.224 0.000 2.449 264 N HA -0.080 4.675 4.740 0.024 0.000 0.191 264 N C 0.678 176.231 175.510 0.071 0.000 1.161 264 N CA 0.726 53.850 53.050 0.123 0.000 0.863 264 N CB -0.298 38.251 38.487 0.103 0.000 0.980 264 N HN 0.369 nan 8.380 nan 0.000 0.458 265 E N 0.603 120.838 120.200 0.059 0.000 2.474 265 E HA 0.067 4.431 4.350 0.024 0.000 0.194 265 E C -0.277 176.310 176.600 -0.021 0.000 1.041 265 E CA -0.064 56.353 56.400 0.028 0.000 0.874 265 E CB 0.143 29.865 29.700 0.037 0.000 0.914 265 E HN 0.156 nan 8.360 nan 0.000 0.498 266 R N -0.071 120.419 120.500 -0.017 0.000 2.873 266 R HA -0.133 4.221 4.340 0.024 0.000 0.281 266 R C -0.545 175.707 176.300 -0.080 0.000 0.933 266 R CA 0.210 56.282 56.100 -0.045 0.000 0.712 266 R CB -2.872 27.386 30.300 -0.071 0.000 1.780 266 R HN 0.095 nan 8.270 nan 0.000 0.488 267 V N 0.770 120.657 119.914 -0.045 0.000 2.482 267 V HA 0.904 5.038 4.120 0.024 0.000 0.295 267 V C 0.385 176.568 176.094 0.147 0.000 1.026 267 V CA 0.487 62.771 62.300 -0.026 0.000 0.856 267 V CB 1.782 33.541 31.823 -0.106 0.000 1.001 267 V HN 0.803 nan 8.190 nan 0.000 0.424 268 G N 4.355 113.255 108.800 0.168 0.000 2.749 268 G HA2 0.973 4.948 3.960 0.024 0.000 0.300 268 G HA3 0.973 4.948 3.960 0.024 0.000 0.300 268 G C -1.151 173.924 174.900 0.293 0.000 1.352 268 G CA -0.243 44.967 45.100 0.184 0.000 0.789 268 G HN 1.645 nan 8.290 nan 0.000 0.509 269 A N -1.730 121.205 122.820 0.192 0.000 2.589 269 A HA 0.613 4.948 4.320 0.024 0.000 0.296 269 A C -1.271 176.395 177.584 0.137 0.000 1.062 269 A CA -0.292 51.885 52.037 0.235 0.000 0.686 269 A CB 1.362 20.513 19.000 0.251 0.000 1.282 269 A HN 1.802 nan 8.150 nan 0.000 0.404 270 C N 1.965 121.361 119.300 0.161 0.000 2.293 270 C HA 0.789 5.263 4.460 0.024 0.000 0.323 270 C C 0.029 175.103 174.990 0.139 0.000 1.240 270 C CA 0.070 59.175 59.018 0.145 0.000 1.497 270 C CB -0.509 27.326 27.740 0.158 0.000 2.171 270 C HN 0.799 nan 8.230 nan 0.000 0.465 271 T N 7.008 121.630 114.554 0.114 0.000 2.771 271 T HA 0.417 4.781 4.350 0.024 0.000 0.281 271 T C -0.452 174.320 174.700 0.119 0.000 0.982 271 T CA -0.214 61.946 62.100 0.101 0.000 0.978 271 T CB 1.015 69.950 68.868 0.113 0.000 0.930 271 T HN 0.611 nan 8.240 nan 0.000 0.447 272 L N 4.011 125.266 121.223 0.055 0.000 2.282 272 L HA 0.637 4.991 4.340 0.024 0.000 0.288 272 L C -0.783 176.113 176.870 0.043 0.000 1.033 272 L CA -0.746 54.126 54.840 0.053 0.000 0.807 272 L CB 1.325 43.384 42.059 -0.000 0.000 1.209 272 L HN 0.374 nan 8.230 nan 0.000 0.423 273 V N 3.608 123.568 119.914 0.077 0.000 2.604 273 V HA 0.804 4.939 4.120 0.024 0.000 0.305 273 V C -0.019 176.109 176.094 0.058 0.000 1.043 273 V CA -0.434 61.881 62.300 0.024 0.000 0.888 273 V CB 1.664 33.481 31.823 -0.009 0.000 0.995 273 V HN 0.900 nan 8.190 nan 0.000 0.429 274 A N 3.010 125.850 122.820 0.033 0.000 2.486 274 A HA 0.896 5.230 4.320 0.024 0.000 0.289 274 A C 0.987 178.591 177.584 0.032 0.000 1.176 274 A CA 0.071 52.145 52.037 0.060 0.000 0.757 274 A CB 1.331 20.376 19.000 0.074 0.000 1.337 274 A HN 1.192 nan 8.150 nan 0.000 0.423 275 A N -0.432 122.412 122.820 0.040 0.000 1.972 275 A HA 0.250 4.584 4.320 0.024 0.000 0.219 275 A C 0.492 178.080 177.584 0.007 0.000 1.169 275 A CA 2.305 54.355 52.037 0.022 0.000 0.635 275 A CB -0.747 18.270 19.000 0.027 0.000 0.810 275 A HN 1.067 nan 8.150 nan 0.000 0.446 276 D N -4.383 116.024 120.400 0.011 0.000 2.615 276 D HA 0.362 5.016 4.640 0.024 0.000 0.267 276 D C 0.601 176.904 176.300 0.006 0.000 1.236 276 D CA 0.065 54.067 54.000 0.003 0.000 0.839 276 D CB 0.324 41.129 40.800 0.008 0.000 1.380 276 D HN -0.031 nan 8.370 nan 0.000 0.433 277 S N -0.363 115.337 115.700 0.000 0.000 2.382 277 S HA -0.240 4.244 4.470 0.024 0.000 0.228 277 S C 1.484 176.096 174.600 0.019 0.000 1.027 277 S CA 1.225 59.426 58.200 0.001 0.000 0.991 277 S CB -0.583 62.615 63.200 -0.003 0.000 0.823 277 S HN 0.592 nan 8.310 nan 0.000 0.469 278 E N 0.563 120.777 120.200 0.024 0.000 2.058 278 E HA -0.158 4.206 4.350 0.024 0.000 0.194 278 E C 2.243 178.873 176.600 0.050 0.000 0.997 278 E CA 1.606 58.027 56.400 0.035 0.000 0.801 278 E CB -0.289 29.429 29.700 0.030 0.000 0.746 278 E HN 0.623 nan 8.360 nan 0.000 0.450 279 T N -0.473 114.112 114.554 0.051 0.000 2.942 279 T HA -0.053 4.311 4.350 0.024 0.000 0.265 279 T C 1.814 176.567 174.700 0.089 0.000 1.062 279 T CA 0.769 62.912 62.100 0.072 0.000 1.139 279 T CB 0.024 68.932 68.868 0.067 0.000 0.883 279 T HN 0.031 nan 8.240 nan 0.000 0.468 280 V N 1.391 121.345 119.914 0.066 0.000 2.515 280 V HA -0.085 4.050 4.120 0.024 0.000 0.250 280 V C 2.059 178.214 176.094 0.100 0.000 1.058 280 V CA 2.277 64.616 62.300 0.065 0.000 1.064 280 V CB -0.489 31.334 31.823 -0.001 0.000 0.675 280 V HN 0.477 nan 8.190 nan 0.000 0.461 281 D N -0.339 120.117 120.400 0.094 0.000 2.097 281 D HA -0.136 4.518 4.640 0.024 0.000 0.195 281 D C 2.388 178.785 176.300 0.161 0.000 0.989 281 D CA 1.214 55.298 54.000 0.140 0.000 0.827 281 D CB -0.276 40.581 40.800 0.095 0.000 0.966 281 D HN 0.378 nan 8.370 nan 0.000 0.456 282 R N 0.411 120.987 120.500 0.126 0.000 2.081 282 R HA -0.041 4.313 4.340 0.024 0.000 0.235 282 R C 2.212 178.611 176.300 0.165 0.000 1.131 282 R CA 1.212 57.386 56.100 0.123 0.000 0.960 282 R CB -0.223 30.139 30.300 0.103 0.000 0.856 282 R HN 0.104 nan 8.270 nan 0.000 0.436 283 A N 0.435 123.377 122.820 0.204 0.000 1.898 283 A HA -0.181 4.154 4.320 0.024 0.000 0.216 283 A C 1.898 179.607 177.584 0.207 0.000 1.181 283 A CA 0.977 53.192 52.037 0.297 0.000 0.620 283 A CB -0.602 18.593 19.000 0.326 0.000 0.819 283 A HN 0.327 nan 8.150 nan 0.000 0.442 284 F N 2.050 121.986 119.950 -0.023 0.000 2.216 284 F HA -0.182 4.359 4.527 0.023 0.000 0.300 284 F C 2.787 178.564 175.800 -0.038 0.000 1.085 284 F CA 1.439 59.386 58.000 -0.088 0.000 1.326 284 F CB -0.455 38.518 39.000 -0.046 0.000 1.027 284 F HN 0.352 nan 8.300 nan 0.000 0.497 285 S N -0.576 115.133 115.700 0.014 0.000 2.382 285 S HA -0.234 4.251 4.470 0.024 0.000 0.228 285 S C 1.895 176.455 174.600 -0.066 0.000 1.027 285 S CA 1.143 59.303 58.200 -0.066 0.000 0.991 285 S CB -0.637 62.575 63.200 0.019 0.000 0.823 285 S HN 0.447 nan 8.310 nan 0.000 0.469 286 Q N 0.486 120.317 119.800 0.052 0.000 2.172 286 Q HA 0.125 4.479 4.340 0.024 0.000 0.200 286 Q C 2.117 178.189 176.000 0.120 0.000 0.964 286 Q CA 1.147 57.030 55.803 0.133 0.000 0.855 286 Q CB -0.453 28.460 28.738 0.292 0.000 0.918 286 Q HN 0.734 nan 8.270 nan 0.000 0.444 287 M N 0.423 119.985 119.600 -0.064 0.000 2.175 287 M HA -0.180 4.315 4.480 0.024 0.000 0.264 287 M C 1.691 177.837 176.300 -0.257 0.000 1.063 287 M CA 1.475 56.643 55.300 -0.219 0.000 1.119 287 M CB 0.117 32.432 32.600 -0.476 0.000 1.377 287 M HN -0.029 nan 8.290 nan 0.000 0.415 288 K N 0.116 120.271 120.400 -0.408 0.000 2.097 288 K HA -0.089 4.246 4.320 0.024 0.000 0.206 288 K C 1.961 178.437 176.600 -0.207 0.000 1.049 288 K CA 1.401 57.473 56.287 -0.359 0.000 0.933 288 K CB -0.288 31.959 32.500 -0.422 0.000 0.717 288 K HN 0.437 nan 8.250 nan 0.000 0.442 289 A N 1.426 124.166 122.820 -0.133 0.000 1.908 289 A HA -0.164 4.170 4.320 0.024 0.000 0.218 289 A C 2.356 179.892 177.584 -0.080 0.000 1.181 289 A CA 1.935 53.921 52.037 -0.085 0.000 0.627 289 A CB -0.766 18.214 19.000 -0.033 0.000 0.818 289 A HN 0.343 nan 8.150 nan 0.000 0.445 290 A N -0.132 122.659 122.820 -0.048 0.000 1.902 290 A HA -0.102 4.233 4.320 0.024 0.000 0.217 290 A C 2.128 179.636 177.584 -0.127 0.000 1.181 290 A CA 1.600 53.617 52.037 -0.033 0.000 0.623 290 A CB -0.592 18.442 19.000 0.057 0.000 0.818 290 A HN 0.508 nan 8.150 nan 0.000 0.443 291 I N -1.278 119.167 120.570 -0.208 0.000 2.252 291 I HA -0.221 3.963 4.170 0.024 0.000 0.245 291 I C 2.711 178.544 176.117 -0.473 0.000 1.102 291 I CA 1.412 62.454 61.300 -0.430 0.000 1.385 291 I CB -0.316 37.466 38.000 -0.363 0.000 1.064 291 I HN 0.335 nan 8.210 nan 0.000 0.414 292 R N 1.177 121.502 120.500 -0.291 0.000 2.091 292 R HA -0.182 4.173 4.340 0.024 0.000 0.238 292 R C 2.073 178.259 176.300 -0.190 0.000 1.136 292 R CA 1.752 57.715 56.100 -0.227 0.000 0.959 292 R CB -0.216 29.987 30.300 -0.162 0.000 0.856 292 R HN 0.373 nan 8.270 nan 0.000 0.437 293 A N 0.156 122.885 122.820 -0.152 0.000 2.235 293 A HA -0.051 4.284 4.320 0.024 0.000 0.208 293 A C 1.387 178.912 177.584 -0.098 0.000 1.172 293 A CA 0.648 52.624 52.037 -0.101 0.000 0.786 293 A CB -0.231 18.732 19.000 -0.062 0.000 0.804 293 A HN 0.357 nan 8.150 nan 0.000 0.479 294 N N -0.758 117.837 118.700 -0.174 0.000 2.652 294 N HA 0.043 4.797 4.740 0.024 0.000 0.226 294 N C 0.915 176.388 175.510 -0.063 0.000 1.023 294 N CA 1.546 54.531 53.050 -0.109 0.000 1.126 294 N CB 0.023 38.440 38.487 -0.116 0.000 1.476 294 N HN 0.443 nan 8.380 nan 0.000 0.537 295 Y N -1.782 118.512 120.300 -0.009 0.000 2.588 295 Y HA 0.595 5.160 4.550 0.025 0.000 0.247 295 Y C 1.208 177.099 175.900 -0.015 0.000 1.157 295 Y CA 0.235 58.332 58.100 -0.007 0.000 1.215 295 Y CB 0.047 38.507 38.460 -0.000 0.000 1.245 295 Y HN 0.089 nan 8.280 nan 0.000 0.534 296 S N 0.899 116.437 115.700 -0.270 0.000 1.476 296 S HA -0.304 4.180 4.470 0.024 0.000 0.242 296 S C -0.134 174.376 174.600 -0.150 0.000 0.711 296 S CA 1.948 60.034 58.200 -0.189 0.000 1.268 296 S CB -1.735 61.402 63.200 -0.105 0.000 1.523 296 S HN 1.025 nan 8.310 nan 0.000 0.510 297 N N 0.690 119.423 118.700 0.055 0.000 2.859 297 N HA 0.668 5.422 4.740 0.024 0.000 0.250 297 N C -3.404 172.278 175.510 0.287 0.000 1.341 297 N CA -1.089 52.036 53.050 0.125 0.000 0.881 297 N CB 1.461 39.981 38.487 0.056 0.000 1.516 297 N HN 0.302 nan 8.380 nan 0.000 0.503 298 P HA 0.457 nan 4.420 nan 0.000 0.285 298 P C -2.748 174.553 177.300 0.002 0.000 1.269 298 P CA -1.586 61.573 63.100 0.099 0.000 0.844 298 P CB 0.570 32.303 31.700 0.054 0.000 1.094 299 P HA 0.087 nan 4.420 nan 0.000 0.270 299 P C 0.591 177.837 177.300 -0.090 0.000 1.242 299 P CA 0.095 63.158 63.100 -0.062 0.000 0.768 299 P CB 0.486 32.140 31.700 -0.077 0.000 0.820 300 A N 3.629 126.417 122.820 -0.054 0.000 1.902 300 A HA -0.241 4.093 4.320 0.024 0.000 0.217 300 A C 2.142 179.682 177.584 -0.073 0.000 1.181 300 A CA 1.729 53.721 52.037 -0.075 0.000 0.623 300 A CB -1.597 17.383 19.000 -0.033 0.000 0.818 300 A HN 0.614 nan 8.150 nan 0.000 0.443 301 H N -0.361 118.641 119.070 -0.113 0.000 2.289 301 H HA -0.095 4.462 4.556 0.001 0.000 0.296 301 H C 2.227 177.476 175.328 -0.133 0.000 1.091 301 H CA 2.260 58.247 56.048 -0.102 0.000 1.274 301 H CB -0.542 29.175 29.762 -0.074 0.000 1.364 301 H HN 0.363 nan 8.280 nan 0.000 0.490 302 G N -0.541 108.169 108.800 -0.151 0.000 2.402 302 G HA2 -0.203 3.771 3.960 0.024 0.000 0.216 302 G HA3 -0.203 3.771 3.960 0.024 0.000 0.216 302 G C 1.886 176.572 174.900 -0.357 0.000 1.162 302 G CA 0.825 45.780 45.100 -0.242 0.000 0.777 302 G HN 0.604 nan 8.290 nan 0.000 0.539 303 A N 0.372 122.949 122.820 -0.406 0.000 1.969 303 A HA 0.046 4.381 4.320 0.024 0.000 0.218 303 A C 2.591 179.953 177.584 -0.371 0.000 1.169 303 A CA 2.157 53.835 52.037 -0.598 0.000 0.635 303 A CB -0.629 17.790 19.000 -0.968 0.000 0.810 303 A HN 0.365 nan 8.150 nan 0.000 0.445 304 S N -0.744 114.779 115.700 -0.295 0.000 2.368 304 S HA -0.108 4.377 4.470 0.024 0.000 0.224 304 S C 1.920 176.387 174.600 -0.222 0.000 1.029 304 S CA 1.420 59.500 58.200 -0.200 0.000 0.988 304 S CB -0.399 62.709 63.200 -0.153 0.000 0.838 304 S HN 0.305 nan 8.310 nan 0.000 0.462 305 V N 1.368 121.090 119.914 -0.321 0.000 2.287 305 V HA -0.143 3.992 4.120 0.024 0.000 0.248 305 V C 2.403 178.294 176.094 -0.337 0.000 1.053 305 V CA 1.846 63.966 62.300 -0.301 0.000 1.027 305 V CB -0.676 30.938 31.823 -0.348 0.000 0.646 305 V HN 0.391 nan 8.190 nan 0.000 0.447 306 V N 0.169 119.778 119.914 -0.508 0.000 2.343 306 V HA -0.264 3.870 4.120 0.024 0.000 0.247 306 V C 2.646 178.464 176.094 -0.461 0.000 1.051 306 V CA 2.065 63.888 62.300 -0.795 0.000 1.036 306 V CB -1.059 30.080 31.823 -1.140 0.000 0.654 306 V HN 0.575 nan 8.190 nan 0.000 0.451 307 A N 0.469 123.149 122.820 -0.234 0.000 1.930 307 A HA -0.200 4.134 4.320 0.024 0.000 0.217 307 A C 2.499 179.998 177.584 -0.142 0.000 1.175 307 A CA 2.322 54.277 52.037 -0.136 0.000 0.627 307 A CB -0.843 18.142 19.000 -0.025 0.000 0.815 307 A HN 0.629 nan 8.150 nan 0.000 0.443 308 T N -1.996 112.469 114.554 -0.147 0.000 2.942 308 T HA 0.026 4.390 4.350 0.024 0.000 0.265 308 T C 1.828 176.428 174.700 -0.167 0.000 1.062 308 T CA 1.196 63.203 62.100 -0.156 0.000 1.139 308 T CB -0.480 68.287 68.868 -0.168 0.000 0.883 308 T HN 0.315 nan 8.240 nan 0.000 0.468 309 I N 0.951 121.429 120.570 -0.155 0.000 2.133 309 I HA -0.055 4.129 4.170 0.024 0.000 0.238 309 I C 2.560 178.623 176.117 -0.090 0.000 1.074 309 I CA 1.315 62.554 61.300 -0.102 0.000 1.342 309 I CB -0.341 37.624 38.000 -0.059 0.000 1.053 309 I HN 0.204 nan 8.210 nan 0.000 0.404 310 L N 0.435 121.576 121.223 -0.137 0.000 2.191 310 L HA -0.174 4.180 4.340 0.024 0.000 0.212 310 L C 2.567 179.396 176.870 -0.068 0.000 1.103 310 L CA 1.498 56.277 54.840 -0.101 0.000 0.769 310 L CB -0.589 41.369 42.059 -0.169 0.000 0.908 310 L HN 0.382 nan 8.230 nan 0.000 0.438 311 S N -1.695 113.954 115.700 -0.085 0.000 2.501 311 S HA -0.012 4.473 4.470 0.024 0.000 0.220 311 S C 0.854 175.417 174.600 -0.061 0.000 0.997 311 S CA -0.213 57.948 58.200 -0.065 0.000 0.919 311 S CB -0.288 62.873 63.200 -0.066 0.000 0.778 311 S HN 0.365 nan 8.310 nan 0.000 0.523 312 N N 1.818 120.473 118.700 -0.074 0.000 2.419 312 N HA 0.220 4.974 4.740 0.024 0.000 0.277 312 N C -0.026 175.463 175.510 -0.036 0.000 1.006 312 N CA -0.374 52.633 53.050 -0.072 0.000 0.923 312 N CB 1.320 39.734 38.487 -0.122 0.000 1.140 312 N HN -0.056 nan 8.380 nan 0.000 0.488 313 D N 2.737 123.123 120.400 -0.025 0.000 2.104 313 D HA -0.179 4.475 4.640 0.024 0.000 0.194 313 D C 1.367 177.663 176.300 -0.005 0.000 0.994 313 D CA 1.574 55.569 54.000 -0.008 0.000 0.830 313 D CB -0.106 40.688 40.800 -0.011 0.000 0.959 313 D HN 0.693 nan 8.370 nan 0.000 0.452 314 A N 1.002 123.812 122.820 -0.017 0.000 1.858 314 A HA -0.148 4.186 4.320 0.024 0.000 0.216 314 A C 2.219 179.801 177.584 -0.004 0.000 1.190 314 A CA 0.988 53.017 52.037 -0.014 0.000 0.617 314 A CB -0.756 18.231 19.000 -0.022 0.000 0.827 314 A HN 0.120 nan 8.150 nan 0.000 0.443 315 L N -0.374 120.841 121.223 -0.013 0.000 2.083 315 L HA -0.080 4.274 4.340 0.024 0.000 0.209 315 L C 2.549 179.463 176.870 0.073 0.000 1.083 315 L CA 2.035 56.879 54.840 0.007 0.000 0.752 315 L CB -0.775 41.260 42.059 -0.040 0.000 0.899 315 L HN 0.487 nan 8.230 nan 0.000 0.433 316 R N -0.936 119.611 120.500 0.079 0.000 2.092 316 R HA -0.118 4.236 4.340 0.024 0.000 0.231 316 R C 2.178 178.570 176.300 0.153 0.000 1.119 316 R CA 1.174 57.383 56.100 0.182 0.000 0.970 316 R CB -0.136 30.245 30.300 0.135 0.000 0.864 316 R HN 0.355 nan 8.270 nan 0.000 0.440 317 A N 1.044 123.897 122.820 0.055 0.000 1.902 317 A HA -0.135 4.199 4.320 0.024 0.000 0.217 317 A C 2.097 179.666 177.584 -0.026 0.000 1.181 317 A CA 1.304 53.339 52.037 -0.002 0.000 0.623 317 A CB -0.438 18.554 19.000 -0.013 0.000 0.818 317 A HN 0.337 nan 8.150 nan 0.000 0.443 318 I N -2.421 118.154 120.570 0.008 0.000 2.202 318 I HA -0.249 3.935 4.170 0.024 0.000 0.242 318 I C 2.418 178.526 176.117 -0.016 0.000 1.091 318 I CA 1.540 62.836 61.300 -0.006 0.000 1.368 318 I CB -0.391 37.621 38.000 0.019 0.000 1.058 318 I HN 0.723 nan 8.210 nan 0.000 0.410 319 W N 2.447 123.669 121.300 -0.131 0.000 2.333 319 W HA -0.220 4.455 4.660 0.024 0.000 0.316 319 W C 2.381 178.754 176.519 -0.244 0.000 1.215 319 W CA 1.664 58.882 57.345 -0.211 0.000 1.278 319 W CB -0.443 28.860 29.460 -0.261 0.000 1.154 319 W HN 0.064 nan 8.180 nan 0.000 0.486 320 E N -0.372 119.445 120.200 -0.639 0.000 2.097 320 E HA -0.355 4.010 4.350 0.024 0.000 0.196 320 E C 2.026 178.279 176.600 -0.579 0.000 1.000 320 E CA 1.811 57.716 56.400 -0.825 0.000 0.804 320 E CB -0.388 29.048 29.700 -0.440 0.000 0.740 320 E HN 0.236 nan 8.360 nan 0.000 0.454 321 Q N 1.121 120.707 119.800 -0.358 0.000 2.079 321 Q HA -0.164 4.190 4.340 0.024 0.000 0.200 321 Q C 1.603 177.432 176.000 -0.285 0.000 0.974 321 Q CA 1.575 57.221 55.803 -0.263 0.000 0.840 321 Q CB -0.012 28.628 28.738 -0.162 0.000 0.898 321 Q HN 0.289 nan 8.270 nan 0.000 0.430 322 E N -0.464 119.558 120.200 -0.296 0.000 2.110 322 E HA -0.185 4.179 4.350 0.024 0.000 0.193 322 E C 1.833 178.206 176.600 -0.378 0.000 0.988 322 E CA 1.070 57.315 56.400 -0.259 0.000 0.804 322 E CB -0.179 29.419 29.700 -0.170 0.000 0.745 322 E HN 0.272 nan 8.360 nan 0.000 0.458 323 L N 1.128 121.987 121.223 -0.607 0.000 2.056 323 L HA -0.142 4.212 4.340 0.024 0.000 0.207 323 L C 2.606 179.131 176.870 -0.575 0.000 1.078 323 L CA 2.346 56.768 54.840 -0.697 0.000 0.749 323 L CB -0.923 40.544 42.059 -0.987 0.000 0.901 323 L HN 0.172 nan 8.230 nan 0.000 0.433 324 T N -3.808 110.469 114.554 -0.461 0.000 2.788 324 T HA -0.176 4.189 4.350 0.024 0.000 0.268 324 T C 1.674 176.222 174.700 -0.253 0.000 1.044 324 T CA 1.331 63.232 62.100 -0.331 0.000 1.139 324 T CB -0.659 68.057 68.868 -0.252 0.000 0.867 324 T HN 0.324 nan 8.240 nan 0.000 0.454 325 D N 1.137 121.403 120.400 -0.223 0.000 2.149 325 D HA -0.051 4.603 4.640 0.024 0.000 0.198 325 D C 2.118 178.347 176.300 -0.118 0.000 0.990 325 D CA 1.224 55.142 54.000 -0.138 0.000 0.839 325 D CB -0.361 40.376 40.800 -0.106 0.000 0.948 325 D HN 0.487 nan 8.370 nan 0.000 0.460 326 M N -0.200 119.252 119.600 -0.247 0.000 2.077 326 M HA -0.124 4.370 4.480 0.024 0.000 0.261 326 M C 2.374 178.585 176.300 -0.149 0.000 1.070 326 M CA 1.149 56.265 55.300 -0.306 0.000 1.125 326 M CB -0.242 31.919 32.600 -0.732 0.000 1.339 326 M HN -0.086 nan 8.290 nan 0.000 0.409 327 R N 0.629 120.949 120.500 -0.300 0.000 2.096 327 R HA -0.214 4.140 4.340 0.024 0.000 0.240 327 R C 2.042 178.318 176.300 -0.040 0.000 1.139 327 R CA 1.989 57.987 56.100 -0.171 0.000 0.952 327 R CB -0.177 29.964 30.300 -0.265 0.000 0.854 327 R HN 0.462 nan 8.270 nan 0.000 0.436 328 Q N -0.517 119.247 119.800 -0.059 0.000 2.172 328 Q HA -0.135 4.219 4.340 0.024 0.000 0.200 328 Q C 2.215 178.226 176.000 0.018 0.000 0.964 328 Q CA 1.306 57.096 55.803 -0.022 0.000 0.855 328 Q CB -0.049 28.665 28.738 -0.041 0.000 0.918 328 Q HN 0.311 nan 8.270 nan 0.000 0.444 329 R N 0.676 121.207 120.500 0.052 0.000 2.081 329 R HA -0.139 4.215 4.340 0.024 0.000 0.235 329 R C 2.041 178.392 176.300 0.084 0.000 1.131 329 R CA 1.224 57.375 56.100 0.085 0.000 0.960 329 R CB -0.152 30.248 30.300 0.167 0.000 0.856 329 R HN 0.224 nan 8.270 nan 0.000 0.436 330 I N 0.745 121.392 120.570 0.129 0.000 2.179 330 I HA -0.303 3.881 4.170 0.024 0.000 0.242 330 I C 2.469 178.615 176.117 0.048 0.000 1.088 330 I CA 1.483 62.841 61.300 0.097 0.000 1.357 330 I CB -0.274 37.823 38.000 0.162 0.000 1.051 330 I HN 0.298 nan 8.210 nan 0.000 0.409 331 Q N 0.407 120.236 119.800 0.049 0.000 2.135 331 Q HA -0.249 4.105 4.340 0.024 0.000 0.204 331 Q C 2.234 178.251 176.000 0.027 0.000 0.981 331 Q CA 1.815 57.639 55.803 0.036 0.000 0.856 331 Q CB -0.218 28.537 28.738 0.028 0.000 0.902 331 Q HN 0.566 nan 8.270 nan 0.000 0.425 332 R N -0.665 119.848 120.500 0.023 0.000 2.200 332 R HA 0.032 4.386 4.340 0.024 0.000 0.208 332 R C 1.807 178.119 176.300 0.019 0.000 1.033 332 R CA 0.731 56.842 56.100 0.018 0.000 1.000 332 R CB -0.027 30.280 30.300 0.012 0.000 0.906 332 R HN 0.102 nan 8.270 nan 0.000 0.462 333 M N 1.156 120.763 119.600 0.012 0.000 2.254 333 M HA 0.008 4.503 4.480 0.024 0.000 0.265 333 M C 2.032 178.346 176.300 0.023 0.000 1.066 333 M CA 1.503 56.803 55.300 0.001 0.000 1.123 333 M CB -0.627 31.949 32.600 -0.040 0.000 1.388 333 M HN 0.221 nan 8.290 nan 0.000 0.425 334 R N -0.121 120.392 120.500 0.023 0.000 2.073 334 R HA -0.135 4.220 4.340 0.024 0.000 0.234 334 R C 2.226 178.576 176.300 0.084 0.000 1.134 334 R CA 1.009 57.142 56.100 0.056 0.000 0.952 334 R CB -0.424 29.901 30.300 0.042 0.000 0.850 334 R HN 0.470 nan 8.270 nan 0.000 0.433 335 Q N 0.943 120.773 119.800 0.050 0.000 2.030 335 Q HA -0.147 4.208 4.340 0.024 0.000 0.204 335 Q C 2.325 178.344 176.000 0.030 0.000 0.986 335 Q CA 1.278 57.101 55.803 0.033 0.000 0.843 335 Q CB -0.367 28.383 28.738 0.021 0.000 0.904 335 Q HN 0.398 nan 8.270 nan 0.000 0.420 336 L N -0.153 121.094 121.223 0.040 0.000 2.083 336 L HA -0.154 4.200 4.340 0.024 0.000 0.209 336 L C 2.339 179.241 176.870 0.053 0.000 1.083 336 L CA 0.843 55.703 54.840 0.032 0.000 0.752 336 L CB -0.312 41.766 42.059 0.031 0.000 0.899 336 L HN 0.161 nan 8.230 nan 0.000 0.433 337 F N -0.332 119.561 119.950 -0.095 0.000 2.075 337 F HA -0.267 4.275 4.527 0.025 0.000 0.297 337 F C 2.303 178.002 175.800 -0.168 0.000 1.113 337 F CA 1.711 59.626 58.000 -0.142 0.000 1.218 337 F CB -0.090 38.818 39.000 -0.153 0.000 0.984 337 F HN -0.243 nan 8.300 nan 0.000 0.472 338 V N 1.103 120.919 119.914 -0.163 0.000 2.287 338 V HA -0.365 3.769 4.120 0.024 0.000 0.248 338 V C 2.079 178.057 176.094 -0.194 0.000 1.053 338 V CA 2.238 64.394 62.300 -0.240 0.000 1.027 338 V CB -0.840 30.932 31.823 -0.084 0.000 0.646 338 V HN 0.405 nan 8.190 nan 0.000 0.447 339 N N 0.049 118.683 118.700 -0.110 0.000 2.084 339 N HA -0.128 4.626 4.740 0.024 0.000 0.190 339 N C 1.910 177.357 175.510 -0.107 0.000 1.030 339 N CA 2.018 55.018 53.050 -0.083 0.000 0.849 339 N CB -0.665 37.796 38.487 -0.043 0.000 1.012 339 N HN 0.476 nan 8.380 nan 0.000 0.423 340 T N 1.808 116.288 114.554 -0.123 0.000 2.867 340 T HA 0.054 4.419 4.350 0.024 0.000 0.268 340 T C 2.157 176.745 174.700 -0.187 0.000 1.057 340 T CA 0.465 62.491 62.100 -0.122 0.000 1.136 340 T CB -0.114 68.701 68.868 -0.090 0.000 0.874 340 T HN 0.117 nan 8.240 nan 0.000 0.466 341 L N 0.487 121.517 121.223 -0.321 0.000 2.027 341 L HA -0.115 4.240 4.340 0.024 0.000 0.206 341 L C 2.877 179.630 176.870 -0.196 0.000 1.074 341 L CA 1.179 55.799 54.840 -0.367 0.000 0.745 341 L CB -0.451 41.199 42.059 -0.683 0.000 0.898 341 L HN 0.141 nan 8.230 nan 0.000 0.433 342 Q N -0.280 119.430 119.800 -0.149 0.000 2.170 342 Q HA -0.232 4.123 4.340 0.024 0.000 0.203 342 Q C 2.031 177.997 176.000 -0.057 0.000 0.976 342 Q CA 1.422 57.183 55.803 -0.070 0.000 0.858 342 Q CB -0.141 28.565 28.738 -0.052 0.000 0.907 342 Q HN 0.420 nan 8.270 nan 0.000 0.433 343 E N -0.188 119.970 120.200 -0.070 0.000 2.107 343 E HA -0.155 4.210 4.350 0.024 0.000 0.191 343 E C 1.048 177.617 176.600 -0.053 0.000 0.982 343 E CA 0.752 57.121 56.400 -0.053 0.000 0.809 343 E CB 0.237 29.905 29.700 -0.053 0.000 0.756 343 E HN 0.038 nan 8.360 nan 0.000 0.459 344 K N 0.059 120.415 120.400 -0.073 0.000 2.432 344 K HA 0.044 4.378 4.320 0.024 0.000 0.196 344 K C 0.463 177.033 176.600 -0.050 0.000 1.038 344 K CA 0.778 57.026 56.287 -0.066 0.000 0.986 344 K CB 0.077 32.522 32.500 -0.093 0.000 0.782 344 K HN 0.273 nan 8.250 nan 0.000 0.485 345 G N 1.241 110.015 108.800 -0.044 0.000 3.341 345 G HA2 0.005 3.979 3.960 0.024 0.000 0.374 345 G HA3 0.005 3.979 3.960 0.024 0.000 0.374 345 G C -0.153 174.743 174.900 -0.006 0.000 0.885 345 G CA 0.141 45.229 45.100 -0.020 0.000 0.740 345 G HN 0.530 nan 8.290 nan 0.000 0.390 346 A N 2.405 125.234 122.820 0.014 0.000 2.806 346 A HA 0.830 5.165 4.320 0.024 0.000 0.310 346 A C -0.114 177.501 177.584 0.052 0.000 1.169 346 A CA -0.295 51.764 52.037 0.036 0.000 0.621 346 A CB 0.502 19.534 19.000 0.053 0.000 1.412 346 A HN 0.942 nan 8.150 nan 0.000 0.576 347 N N 1.265 120.003 118.700 0.064 0.000 2.816 347 N HA 0.304 5.059 4.740 0.024 0.000 0.236 347 N C -0.894 174.640 175.510 0.040 0.000 1.076 347 N CA -0.477 52.600 53.050 0.045 0.000 0.902 347 N CB 0.587 39.090 38.487 0.027 0.000 1.149 347 N HN 0.482 nan 8.380 nan 0.000 0.506 348 R N 1.035 121.579 120.500 0.074 0.000 2.368 348 R HA 0.401 4.755 4.340 0.024 0.000 0.302 348 R C -1.147 175.155 176.300 0.002 0.000 1.002 348 R CA -0.542 55.619 56.100 0.101 0.000 0.929 348 R CB 1.206 31.689 30.300 0.306 0.000 1.073 348 R HN 0.260 nan 8.270 nan 0.000 0.464 349 D N 2.319 122.636 120.400 -0.138 0.000 2.411 349 D HA 0.236 4.890 4.640 0.024 0.000 0.239 349 D C -1.079 175.112 176.300 -0.182 0.000 1.307 349 D CA -0.323 53.650 54.000 -0.044 0.000 0.930 349 D CB 0.266 41.084 40.800 0.030 0.000 1.395 349 D HN 0.479 nan 8.370 nan 0.000 0.536 350 F N 0.843 120.681 119.950 -0.186 0.000 2.641 350 F HA 0.164 4.705 4.527 0.024 0.000 0.302 350 F C 2.138 177.574 175.800 -0.608 0.000 1.098 350 F CA -0.095 57.550 58.000 -0.592 0.000 1.318 350 F CB 0.438 39.149 39.000 -0.482 0.000 1.035 350 F HN 0.221 nan 8.300 nan 0.000 0.551 351 S N 0.673 116.302 115.700 -0.118 0.000 2.402 351 S HA -0.276 4.208 4.470 0.024 0.000 0.233 351 S C 1.966 176.570 174.600 0.006 0.000 1.030 351 S CA 1.813 59.999 58.200 -0.024 0.000 1.003 351 S CB -0.820 62.415 63.200 0.058 0.000 0.813 351 S HN 0.644 nan 8.310 nan 0.000 0.477 352 F N 1.404 121.407 119.950 0.089 0.000 2.250 352 F HA -0.067 4.475 4.527 0.024 0.000 0.301 352 F C 1.733 177.617 175.800 0.140 0.000 1.077 352 F CA 0.392 58.459 58.000 0.112 0.000 1.348 352 F CB -0.823 38.243 39.000 0.110 0.000 1.040 352 F HN 0.075 nan 8.300 nan 0.000 0.509 353 I N 0.942 121.371 120.570 -0.236 0.000 2.264 353 I HA -0.258 3.926 4.170 0.024 0.000 0.248 353 I C 2.406 178.565 176.117 0.070 0.000 1.111 353 I CA 1.381 62.668 61.300 -0.022 0.000 1.382 353 I CB -1.060 36.929 38.000 -0.018 0.000 1.060 353 I HN 0.257 nan 8.210 nan 0.000 0.418 354 I N 0.762 121.362 120.570 0.051 0.000 2.567 354 I HA -0.228 3.956 4.170 0.024 0.000 0.257 354 I C 1.938 178.111 176.117 0.093 0.000 1.184 354 I CA 1.467 62.806 61.300 0.066 0.000 1.451 354 I CB -0.266 37.762 38.000 0.047 0.000 1.089 354 I HN 0.096 nan 8.210 nan 0.000 0.441 355 K N -0.499 119.979 120.400 0.131 0.000 2.374 355 K HA 0.169 4.504 4.320 0.024 0.000 0.196 355 K C 0.233 176.930 176.600 0.162 0.000 1.023 355 K CA 0.032 56.404 56.287 0.142 0.000 1.103 355 K CB 0.253 32.849 32.500 0.160 0.000 0.848 355 K HN 0.311 nan 8.250 nan 0.000 0.528 356 Q N 0.696 120.599 119.800 0.173 0.000 2.226 356 Q HA 0.284 4.639 4.340 0.024 0.000 0.256 356 Q C -0.730 175.350 176.000 0.133 0.000 0.962 356 Q CA -0.747 55.163 55.803 0.178 0.000 0.887 356 Q CB 1.357 30.226 28.738 0.218 0.000 1.282 356 Q HN 0.071 nan 8.270 nan 0.000 0.449 357 N N 0.498 119.278 118.700 0.133 0.000 2.321 357 N HA 0.660 5.414 4.740 0.024 0.000 0.299 357 N C -0.208 175.341 175.510 0.064 0.000 1.048 357 N CA 0.063 53.181 53.050 0.114 0.000 0.836 357 N CB 1.952 40.531 38.487 0.153 0.000 1.269 357 N HN 0.864 nan 8.380 nan 0.000 0.486 358 G N 0.344 109.163 108.800 0.030 0.000 2.409 358 G HA2 -0.177 3.798 3.960 0.024 0.000 0.421 358 G HA3 -0.177 3.798 3.960 0.024 0.000 0.421 358 G C 0.287 175.075 174.900 -0.188 0.000 1.259 358 G CA -0.492 44.542 45.100 -0.111 0.000 1.011 358 G HN 0.444 nan 8.290 nan 0.000 0.497 359 M N -0.413 118.927 119.600 -0.434 0.000 2.541 359 M HA 0.344 4.838 4.480 0.024 0.000 0.252 359 M C -0.004 175.865 176.300 -0.719 0.000 1.125 359 M CA 0.965 55.917 55.300 -0.580 0.000 1.091 359 M CB 0.101 32.214 32.600 -0.812 0.000 1.420 359 M HN 0.216 nan 8.290 nan 0.000 0.486 360 F N -0.645 119.192 119.950 -0.187 0.000 2.522 360 F HA 0.590 5.131 4.527 0.023 0.000 0.324 360 F C 0.136 175.832 175.800 -0.173 0.000 1.077 360 F CA -0.835 57.049 58.000 -0.194 0.000 0.944 360 F CB 1.846 40.707 39.000 -0.231 0.000 1.175 360 F HN -0.295 nan 8.300 nan 0.000 0.468 361 S N 0.913 116.620 115.700 0.011 0.000 2.547 361 S HA 0.512 4.996 4.470 0.024 0.000 0.270 361 S C -1.466 173.088 174.600 -0.076 0.000 1.150 361 S CA -0.848 57.347 58.200 -0.008 0.000 0.850 361 S CB 1.023 64.299 63.200 0.127 0.000 1.118 361 S HN 0.375 nan 8.310 nan 0.000 0.461 362 F N 2.425 122.473 119.950 0.163 0.000 2.424 362 F HA 0.190 4.732 4.527 0.025 0.000 0.356 362 F C 1.908 177.915 175.800 0.345 0.000 1.110 362 F CA -0.214 57.895 58.000 0.183 0.000 1.161 362 F CB 1.226 40.292 39.000 0.110 0.000 1.115 362 F HN 0.744 nan 8.300 nan 0.000 0.507 363 S N 1.661 117.669 115.700 0.513 0.000 2.453 363 S HA 0.103 4.587 4.470 0.024 0.000 0.231 363 S C 1.676 176.660 174.600 0.640 0.000 1.005 363 S CA 0.478 59.029 58.200 0.586 0.000 0.949 363 S CB -0.155 63.321 63.200 0.460 0.000 0.774 363 S HN 1.212 nan 8.310 nan 0.000 0.510 364 G N 0.236 109.325 108.800 0.482 0.000 2.141 364 G HA2 -0.173 3.801 3.960 0.024 0.000 0.231 364 G HA3 -0.173 3.801 3.960 0.024 0.000 0.231 364 G C -0.235 174.835 174.900 0.283 0.000 0.984 364 G CA 0.024 45.337 45.100 0.354 0.000 0.660 364 G HN 0.420 nan 8.290 nan 0.000 0.525 365 L N 2.008 123.411 121.223 0.300 0.000 2.395 365 L HA 0.622 4.976 4.340 0.024 0.000 0.269 365 L C 1.573 178.546 176.870 0.171 0.000 1.133 365 L CA 0.320 55.300 54.840 0.233 0.000 0.812 365 L CB 1.025 43.226 42.059 0.236 0.000 1.125 365 L HN 0.447 nan 8.230 nan 0.000 0.452 366 T N -0.724 113.909 114.554 0.132 0.000 2.882 366 T HA 0.262 4.626 4.350 0.024 0.000 0.287 366 T C 1.052 175.805 174.700 0.089 0.000 1.014 366 T CA -0.276 61.881 62.100 0.095 0.000 1.049 366 T CB 0.654 69.566 68.868 0.073 0.000 1.001 366 T HN 0.645 nan 8.240 nan 0.000 0.525 367 K N 0.671 121.112 120.400 0.069 0.000 2.209 367 K HA -0.129 4.205 4.320 0.024 0.000 0.204 367 K C 1.666 178.297 176.600 0.052 0.000 1.048 367 K CA 1.438 57.762 56.287 0.060 0.000 0.940 367 K CB -0.122 32.405 32.500 0.045 0.000 0.729 367 K HN 0.689 nan 8.250 nan 0.000 0.451 368 E N 1.330 121.560 120.200 0.050 0.000 2.230 368 E HA -0.141 4.223 4.350 0.024 0.000 0.192 368 E C 1.880 178.514 176.600 0.057 0.000 0.987 368 E CA 0.824 57.250 56.400 0.043 0.000 0.841 368 E CB -0.289 29.434 29.700 0.037 0.000 0.783 368 E HN 0.560 nan 8.360 nan 0.000 0.481 369 Q N 0.994 120.840 119.800 0.076 0.000 2.079 369 Q HA -0.100 4.255 4.340 0.024 0.000 0.200 369 Q C 2.539 178.599 176.000 0.101 0.000 0.974 369 Q CA 2.060 57.923 55.803 0.099 0.000 0.840 369 Q CB -0.190 28.618 28.738 0.117 0.000 0.898 369 Q HN 0.349 nan 8.270 nan 0.000 0.430 370 V N -1.604 118.363 119.914 0.089 0.000 2.515 370 V HA -0.177 3.958 4.120 0.024 0.000 0.250 370 V C 1.967 178.080 176.094 0.031 0.000 1.058 370 V CA 1.224 63.568 62.300 0.074 0.000 1.064 370 V CB -0.564 31.304 31.823 0.075 0.000 0.675 370 V HN 0.271 nan 8.190 nan 0.000 0.461 371 L N 1.000 122.237 121.223 0.024 0.000 2.017 371 L HA -0.141 4.213 4.340 0.024 0.000 0.208 371 L C 3.186 180.050 176.870 -0.009 0.000 1.073 371 L CA 2.536 57.372 54.840 -0.007 0.000 0.745 371 L CB -0.372 41.689 42.059 0.003 0.000 0.894 371 L HN 0.451 nan 8.230 nan 0.000 0.432 372 R N -1.068 119.448 120.500 0.027 0.000 2.235 372 R HA -0.112 4.242 4.340 0.024 0.000 0.213 372 R C 2.030 178.381 176.300 0.085 0.000 1.059 372 R CA 0.580 56.693 56.100 0.021 0.000 0.997 372 R CB -0.496 29.829 30.300 0.042 0.000 0.884 372 R HN 0.189 nan 8.270 nan 0.000 0.462 373 L N 1.696 123.013 121.223 0.158 0.000 2.046 373 L HA -0.060 4.294 4.340 0.024 0.000 0.208 373 L C 2.418 179.364 176.870 0.126 0.000 1.077 373 L CA 1.667 56.669 54.840 0.269 0.000 0.747 373 L CB -0.456 41.704 42.059 0.169 0.000 0.896 373 L HN 0.147 nan 8.230 nan 0.000 0.432 374 R N -0.744 119.713 120.500 -0.072 0.000 2.061 374 R HA -0.124 4.230 4.340 0.024 0.000 0.230 374 R C 2.088 178.293 176.300 -0.158 0.000 1.140 374 R CA 1.525 57.452 56.100 -0.289 0.000 0.940 374 R CB -0.447 29.529 30.300 -0.540 0.000 0.839 374 R HN 0.442 nan 8.270 nan 0.000 0.429 375 E N 0.550 120.675 120.200 -0.125 0.000 2.038 375 E HA -0.233 4.131 4.350 0.024 0.000 0.195 375 E C 1.965 178.474 176.600 -0.151 0.000 1.000 375 E CA 1.291 57.628 56.400 -0.105 0.000 0.803 375 E CB -0.012 29.635 29.700 -0.088 0.000 0.750 375 E HN 0.379 nan 8.360 nan 0.000 0.448 376 E N -1.014 119.029 120.200 -0.262 0.000 2.250 376 E HA -0.031 4.333 4.350 0.024 0.000 0.192 376 E C 1.111 177.272 176.600 -0.732 0.000 0.986 376 E CA 0.413 56.480 56.400 -0.555 0.000 0.849 376 E CB 0.303 29.507 29.700 -0.827 0.000 0.797 376 E HN 0.184 nan 8.360 nan 0.000 0.482 377 F N -1.710 118.253 119.950 0.020 0.000 2.789 377 F HA 0.324 4.865 4.527 0.024 0.000 0.320 377 F C 1.308 177.155 175.800 0.078 0.000 1.079 377 F CA 0.215 58.241 58.000 0.043 0.000 1.205 377 F CB 1.522 40.548 39.000 0.043 0.000 1.046 377 F HN 0.061 nan 8.300 nan 0.000 0.586 378 G N 1.457 110.390 108.800 0.222 0.000 2.136 378 G HA2 -0.238 3.736 3.960 0.024 0.000 0.242 378 G HA3 -0.238 3.736 3.960 0.024 0.000 0.242 378 G C -0.238 174.933 174.900 0.451 0.000 0.989 378 G CA 0.051 45.347 45.100 0.326 0.000 0.682 378 G HN 0.142 nan 8.290 nan 0.000 0.522 379 V N 0.727 120.827 119.914 0.309 0.000 2.383 379 V HA 0.522 4.657 4.120 0.024 0.000 0.275 379 V C -0.001 176.219 176.094 0.211 0.000 1.036 379 V CA -0.646 61.824 62.300 0.284 0.000 0.889 379 V CB 0.923 32.852 31.823 0.177 0.000 0.985 379 V HN 0.261 nan 8.190 nan 0.000 0.459 380 Y N 3.358 123.733 120.300 0.125 0.000 2.331 380 Y HA 0.713 5.277 4.550 0.025 0.000 0.338 380 Y C 0.425 176.340 175.900 0.024 0.000 0.992 380 Y CA -0.272 57.883 58.100 0.093 0.000 1.121 380 Y CB 1.834 40.359 38.460 0.109 0.000 1.184 380 Y HN 0.742 nan 8.280 nan 0.000 0.469 381 A N 2.154 125.040 122.820 0.110 0.000 2.566 381 A HA 0.758 5.092 4.320 0.024 0.000 0.292 381 A C -1.373 176.261 177.584 0.084 0.000 1.112 381 A CA -0.811 51.278 52.037 0.086 0.000 0.707 381 A CB 0.814 19.862 19.000 0.081 0.000 1.302 381 A HN 0.420 nan 8.150 nan 0.000 0.409 382 V N 1.416 121.380 119.914 0.084 0.000 2.715 382 V HA 0.342 4.476 4.120 0.024 0.000 0.299 382 V C 1.805 177.956 176.094 0.095 0.000 1.054 382 V CA 0.558 62.907 62.300 0.081 0.000 1.077 382 V CB 0.838 32.703 31.823 0.070 0.000 0.972 382 V HN 1.374 nan 8.190 nan 0.000 0.484 383 A N 3.474 126.341 122.820 0.078 0.000 2.084 383 A HA -0.145 4.189 4.320 0.024 0.000 0.221 383 A C 2.111 179.755 177.584 0.100 0.000 1.161 383 A CA 1.973 54.055 52.037 0.075 0.000 0.653 383 A CB -0.561 18.471 19.000 0.053 0.000 0.802 383 A HN 1.070 nan 8.150 nan 0.000 0.457 384 S N -1.954 113.828 115.700 0.136 0.000 2.603 384 S HA 0.367 4.851 4.470 0.024 0.000 0.220 384 S C 1.399 176.163 174.600 0.273 0.000 0.967 384 S CA 0.862 59.169 58.200 0.179 0.000 0.920 384 S CB -0.390 62.956 63.200 0.244 0.000 0.773 384 S HN 1.876 nan 8.310 nan 0.000 0.529 385 G N 0.640 109.588 108.800 0.247 0.000 2.148 385 G HA2 -0.256 3.718 3.960 0.024 0.000 0.254 385 G HA3 -0.256 3.718 3.960 0.024 0.000 0.254 385 G C -0.109 174.983 174.900 0.320 0.000 0.981 385 G CA 0.170 45.437 45.100 0.279 0.000 0.670 385 G HN 0.622 nan 8.290 nan 0.000 0.528 386 L N 0.615 122.002 121.223 0.273 0.000 2.453 386 L HA 0.698 5.052 4.340 0.024 0.000 0.272 386 L C 0.338 177.248 176.870 0.067 0.000 1.182 386 L CA -0.132 54.742 54.840 0.057 0.000 0.858 386 L CB 1.502 43.508 42.059 -0.088 0.000 1.120 386 L HN 0.256 nan 8.230 nan 0.000 0.474 387 V N 5.369 125.307 119.914 0.041 0.000 2.789 387 V HA 0.469 4.604 4.120 0.024 0.000 0.311 387 V C -0.880 175.215 176.094 0.002 0.000 1.073 387 V CA -0.873 61.430 62.300 0.004 0.000 0.921 387 V CB 2.171 33.956 31.823 -0.063 0.000 1.009 387 V HN 0.917 nan 8.190 nan 0.000 0.426 388 N N 4.466 123.130 118.700 -0.061 0.000 2.457 388 N HA 0.222 4.976 4.740 0.024 0.000 0.250 388 N C 0.645 175.981 175.510 -0.291 0.000 0.982 388 N CA -0.046 52.853 53.050 -0.251 0.000 0.941 388 N CB 1.803 40.148 38.487 -0.236 0.000 1.120 388 N HN 0.400 nan 8.380 nan 0.000 0.505 389 V N 3.405 123.124 119.914 -0.325 0.000 2.568 389 V HA -0.218 3.916 4.120 0.024 0.000 0.253 389 V C 2.084 178.033 176.094 -0.241 0.000 1.072 389 V CA 2.226 64.354 62.300 -0.287 0.000 1.084 389 V CB -0.790 30.894 31.823 -0.232 0.000 0.676 389 V HN 0.801 nan 8.190 nan 0.000 0.469 390 A N -0.018 122.648 122.820 -0.257 0.000 2.209 390 A HA 0.091 4.425 4.320 0.024 0.000 0.212 390 A C 2.109 179.531 177.584 -0.270 0.000 1.158 390 A CA 1.189 53.064 52.037 -0.270 0.000 0.742 390 A CB -0.536 18.280 19.000 -0.306 0.000 0.790 390 A HN 0.552 nan 8.150 nan 0.000 0.472 391 G N -1.201 107.461 108.800 -0.232 0.000 3.042 391 G HA2 0.346 4.320 3.960 0.024 0.000 0.212 391 G HA3 0.346 4.320 3.960 0.024 0.000 0.212 391 G C 0.461 175.265 174.900 -0.159 0.000 1.166 391 G CA -0.296 44.687 45.100 -0.195 0.000 0.767 391 G HN 0.446 nan 8.290 nan 0.000 0.546 392 M N 1.717 121.217 119.600 -0.166 0.000 2.264 392 M HA 0.438 4.933 4.480 0.024 0.000 0.352 392 M C 0.106 176.350 176.300 -0.095 0.000 1.173 392 M CA -0.282 54.943 55.300 -0.125 0.000 1.075 392 M CB 2.020 34.530 32.600 -0.149 0.000 1.621 392 M HN 0.090 nan 8.290 nan 0.000 0.457 393 T N -0.997 113.521 114.554 -0.060 0.000 2.901 393 T HA 0.518 4.883 4.350 0.024 0.000 0.293 393 T C -2.555 172.131 174.700 -0.022 0.000 1.084 393 T CA -1.847 60.226 62.100 -0.045 0.000 1.008 393 T CB 1.776 70.618 68.868 -0.042 0.000 1.170 393 T HN 0.268 nan 8.240 nan 0.000 0.509 394 P HA -0.038 nan 4.420 nan 0.000 0.218 394 P C 0.921 178.218 177.300 -0.004 0.000 1.148 394 P CA 0.942 64.038 63.100 -0.006 0.000 0.822 394 P CB 0.064 31.761 31.700 -0.005 0.000 0.784 395 D N -0.950 119.447 120.400 -0.005 0.000 2.183 395 D HA -0.092 4.562 4.640 0.024 0.000 0.203 395 D C 1.340 177.642 176.300 0.003 0.000 0.969 395 D CA 1.117 55.117 54.000 -0.001 0.000 0.842 395 D CB -0.451 40.349 40.800 0.000 0.000 0.957 395 D HN 0.334 nan 8.370 nan 0.000 0.484 396 N N -0.018 118.682 118.700 0.001 0.000 2.280 396 N HA -0.033 4.721 4.740 0.024 0.000 0.192 396 N C 1.495 177.011 175.510 0.010 0.000 1.109 396 N CA 0.063 53.119 53.050 0.009 0.000 0.855 396 N CB -0.240 38.254 38.487 0.012 0.000 0.974 396 N HN -0.049 nan 8.380 nan 0.000 0.482 397 M N 1.096 120.701 119.600 0.008 0.000 2.080 397 M HA 0.069 4.564 4.480 0.024 0.000 0.260 397 M C 1.874 178.179 176.300 0.009 0.000 1.068 397 M CA 1.562 56.875 55.300 0.022 0.000 1.109 397 M CB -0.630 31.983 32.600 0.021 0.000 1.342 397 M HN 0.304 nan 8.290 nan 0.000 0.405 398 A N 0.377 123.194 122.820 -0.005 0.000 1.872 398 A HA -0.002 4.333 4.320 0.024 0.000 0.214 398 A C -0.297 177.272 177.584 -0.026 0.000 1.187 398 A CA 1.279 53.304 52.037 -0.021 0.000 0.614 398 A CB -2.231 16.758 19.000 -0.017 0.000 0.826 398 A HN 0.477 nan 8.150 nan 0.000 0.442 399 P HA -0.192 nan 4.420 nan 0.000 0.216 399 P C 1.789 179.068 177.300 -0.035 0.000 1.150 399 P CA 0.918 64.012 63.100 -0.011 0.000 0.843 399 P CB -0.166 31.546 31.700 0.021 0.000 0.787 400 L N -0.414 120.802 121.223 -0.012 0.000 1.988 400 L HA -0.157 4.198 4.340 0.024 0.000 0.207 400 L C 2.483 179.327 176.870 -0.044 0.000 1.071 400 L CA 2.022 56.860 54.840 -0.003 0.000 0.744 400 L CB -0.920 41.165 42.059 0.043 0.000 0.893 400 L HN 0.033 nan 8.230 nan 0.000 0.433 401 C N 0.077 119.351 119.300 -0.044 0.000 2.422 401 C HA -0.157 4.317 4.460 0.024 0.000 0.279 401 C C 2.506 177.400 174.990 -0.160 0.000 1.305 401 C CA 0.696 59.640 59.018 -0.124 0.000 1.757 401 C CB -0.864 26.786 27.740 -0.150 0.000 1.962 401 C HN 0.550 nan 8.230 nan 0.000 0.499 402 E N 0.769 120.881 120.200 -0.146 0.000 2.051 402 E HA -0.168 4.196 4.350 0.024 0.000 0.192 402 E C 2.374 178.789 176.600 -0.309 0.000 0.991 402 E CA 1.361 57.658 56.400 -0.171 0.000 0.799 402 E CB -0.222 29.402 29.700 -0.126 0.000 0.748 402 E HN 0.656 nan 8.360 nan 0.000 0.449 403 A N 1.030 123.580 122.820 -0.449 0.000 1.883 403 A HA -0.204 4.130 4.320 0.024 0.000 0.217 403 A C 2.164 179.415 177.584 -0.556 0.000 1.186 403 A CA 1.240 52.719 52.037 -0.931 0.000 0.624 403 A CB -0.653 17.895 19.000 -0.753 0.000 0.822 403 A HN 0.185 nan 8.150 nan 0.000 0.444 404 I N -0.388 120.025 120.570 -0.262 0.000 2.226 404 I HA -0.224 3.961 4.170 0.024 0.000 0.245 404 I C 2.339 178.397 176.117 -0.099 0.000 1.100 404 I CA 1.230 62.456 61.300 -0.123 0.000 1.374 404 I CB -0.365 37.572 38.000 -0.104 0.000 1.057 404 I HN 0.159 nan 8.210 nan 0.000 0.413 405 V N 1.186 121.022 119.914 -0.129 0.000 2.392 405 V HA -0.209 3.926 4.120 0.024 0.000 0.249 405 V C 1.656 177.725 176.094 -0.043 0.000 1.059 405 V CA 1.326 63.583 62.300 -0.070 0.000 1.051 405 V CB -1.111 30.662 31.823 -0.083 0.000 0.658 405 V HN 0.443 nan 8.190 nan 0.000 0.455 409 L N 0.000 121.276 121.223 0.088 0.000 2.949 409 L HA 0.000 4.354 4.340 0.024 0.000 0.249 409 L CA 0.000 54.899 54.840 0.099 0.000 0.813 409 L CB 0.000 42.122 42.059 0.105 0.000 0.961 409 L HN 0.000 nan 8.230 nan 0.000 0.502