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 3nf4_1_B DATA FIRST_RESID 5 DATA SEQUENCE MAVDRLLPSQ EAAELIELTR EIADKVLDPI VDRHEKDETY PEGVFEQLGA DATA SEQUENCE AGLLSLPQPE EWGGGGQPYE VYLQVLEEIA ARWASVAVAV SVHSLSSHPL DATA SEQUENCE LVFGTEEQKK RWLPGMLSGE QIGAYSLSEP XXXXXXXXXR CAATPTDGGY DATA SEQUENCE VINGSKSWIT HGGKADFYTL FARTXXGSRG VSCFLVPADQ PGLSFGKPEE DATA SEQUENCE KMGLHAVPTT SAFYDNARID ADRRIGEEGQ GLQIAFSALD SGRLGIAAVA DATA SEQUENCE TGLAQAALDE AVAYANERTA FGRKIIDHQG LGFLLADMAA AVATARATYL DATA SEQUENCE DAARRRDQGR PYSQQASIAK LTATDAAMKV TTDAVQVFGG VGYTRDYRVE DATA SEQUENCE RYMREAKIMQ IFEGTNQIQR LVIARGLT 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 0.000 176.313 176.300 0.021 0.000 1.140 5 M CA 0.000 55.312 55.300 0.020 0.000 0.988 5 M CB 0.000 32.616 32.600 0.026 0.000 1.302 6 A N 1.259 124.090 122.820 0.019 0.000 2.386 6 A HA 0.632 4.952 4.320 -0.000 0.000 0.248 6 A C 0.570 178.162 177.584 0.014 0.000 1.082 6 A CA 0.136 52.183 52.037 0.017 0.000 0.789 6 A CB -0.092 18.918 19.000 0.016 0.000 1.025 6 A HN 1.507 nan 8.150 nan 0.000 0.490 7 V N 2.214 122.135 119.914 0.013 0.000 2.617 7 V HA -0.021 4.098 4.120 -0.000 0.000 0.304 7 V C 0.556 176.654 176.094 0.005 0.000 1.040 7 V CA 0.247 62.552 62.300 0.008 0.000 1.149 7 V CB 0.437 32.265 31.823 0.009 0.000 0.914 7 V HN 0.881 nan 8.190 nan 0.000 0.487 8 D N 5.301 125.702 120.400 0.001 0.000 2.352 8 D HA 0.191 4.831 4.640 -0.000 0.000 0.245 8 D C 0.230 176.527 176.300 -0.006 0.000 1.224 8 D CA -0.063 53.936 54.000 -0.001 0.000 0.879 8 D CB 0.243 41.041 40.800 -0.003 0.000 1.057 8 D HN 0.453 nan 8.370 nan 0.000 0.491 9 R N 3.218 123.716 120.500 -0.003 0.000 2.540 9 R HA 0.440 4.780 4.340 -0.000 0.000 0.287 9 R C -0.190 176.106 176.300 -0.007 0.000 0.980 9 R CA -1.004 55.092 56.100 -0.006 0.000 0.966 9 R CB 1.503 31.805 30.300 0.003 0.000 1.106 9 R HN 0.373 nan 8.270 nan 0.000 0.480 10 L N 4.645 125.859 121.223 -0.015 0.000 2.295 10 L HA 0.324 4.664 4.340 -0.000 0.000 0.288 10 L C -0.590 176.278 176.870 -0.002 0.000 1.079 10 L CA -0.071 54.762 54.840 -0.012 0.000 0.830 10 L CB 0.268 42.313 42.059 -0.023 0.000 1.200 10 L HN 0.340 nan 8.230 nan 0.000 0.438 11 L N 5.260 126.486 121.223 0.005 0.000 2.370 11 L HA 0.478 4.818 4.340 -0.000 0.000 0.266 11 L C -1.176 175.702 176.870 0.013 0.000 1.002 11 L CA -1.294 53.554 54.840 0.013 0.000 0.818 11 L CB 2.057 44.125 42.059 0.016 0.000 1.325 11 L HN 0.397 nan 8.230 nan 0.000 0.418 12 P HA 0.000 nan 4.420 nan 0.000 0.225 12 P C 0.057 177.367 177.300 0.016 0.000 1.156 12 P CA 0.576 63.686 63.100 0.017 0.000 0.787 12 P CB 0.403 32.117 31.700 0.024 0.000 0.802 13 S N -3.862 111.848 115.700 0.017 0.000 2.625 13 S HA 0.515 4.985 4.470 -0.000 0.000 0.271 13 S C 1.178 175.787 174.600 0.014 0.000 1.161 13 S CA 0.017 58.226 58.200 0.015 0.000 0.820 13 S CB 1.196 64.406 63.200 0.016 0.000 1.137 13 S HN 0.032 nan 8.310 nan 0.000 0.470 14 Q N 0.076 119.884 119.800 0.012 0.000 2.084 14 Q HA 0.014 4.353 4.340 -0.000 0.000 0.202 14 Q C 2.376 178.384 176.000 0.014 0.000 0.978 14 Q CA 2.994 58.804 55.803 0.012 0.000 0.844 14 Q CB -2.177 26.567 28.738 0.010 0.000 0.898 14 Q HN 1.319 nan 8.270 nan 0.000 0.426 15 E N 0.291 120.500 120.200 0.015 0.000 2.153 15 E HA 0.182 4.532 4.350 -0.000 0.000 0.194 15 E C 2.350 178.963 176.600 0.021 0.000 0.988 15 E CA 1.850 58.260 56.400 0.017 0.000 0.811 15 E CB -0.831 28.879 29.700 0.017 0.000 0.746 15 E HN 1.038 nan 8.360 nan 0.000 0.466 16 A N 0.648 123.482 122.820 0.023 0.000 1.929 16 A HA 0.367 4.687 4.320 -0.000 0.000 0.216 16 A C 2.818 180.416 177.584 0.024 0.000 1.176 16 A CA 1.937 53.991 52.037 0.027 0.000 0.628 16 A CB -0.558 18.460 19.000 0.030 0.000 0.816 16 A HN 0.942 nan 8.150 nan 0.000 0.444 17 A N -0.517 122.314 122.820 0.019 0.000 1.902 17 A HA 0.037 4.356 4.320 -0.000 0.000 0.217 17 A C 2.140 179.733 177.584 0.016 0.000 1.181 17 A CA 2.370 54.417 52.037 0.016 0.000 0.623 17 A CB -1.013 17.995 19.000 0.013 0.000 0.818 17 A HN 0.736 nan 8.150 nan 0.000 0.443 18 E N -0.660 119.549 120.200 0.016 0.000 2.208 18 E HA 0.014 4.364 4.350 -0.000 0.000 0.193 18 E C 1.879 178.490 176.600 0.018 0.000 0.988 18 E CA 1.314 57.723 56.400 0.016 0.000 0.828 18 E CB -0.716 28.993 29.700 0.015 0.000 0.763 18 E HN 0.526 nan 8.360 nan 0.000 0.478 19 L N 0.206 121.442 121.223 0.022 0.000 2.093 19 L HA -0.041 4.299 4.340 -0.000 0.000 0.208 19 L C 2.314 179.197 176.870 0.022 0.000 1.085 19 L CA 1.240 56.095 54.840 0.025 0.000 0.755 19 L CB -0.142 41.937 42.059 0.032 0.000 0.904 19 L HN 0.316 nan 8.230 nan 0.000 0.435 20 I N 0.312 120.894 120.570 0.020 0.000 2.179 20 I HA -0.251 3.919 4.170 -0.000 0.000 0.242 20 I C 2.847 178.973 176.117 0.015 0.000 1.088 20 I CA 1.765 63.075 61.300 0.017 0.000 1.357 20 I CB -1.810 36.200 38.000 0.017 0.000 1.051 20 I HN 0.450 nan 8.210 nan 0.000 0.409 21 E N 0.914 121.123 120.200 0.015 0.000 2.110 21 E HA -0.238 4.112 4.350 -0.000 0.000 0.193 21 E C 2.143 178.751 176.600 0.013 0.000 0.988 21 E CA 1.431 57.839 56.400 0.013 0.000 0.804 21 E CB -0.987 28.721 29.700 0.013 0.000 0.745 21 E HN 0.376 nan 8.360 nan 0.000 0.458 22 L N 0.961 122.193 121.223 0.014 0.000 2.027 22 L HA -0.085 4.255 4.340 -0.000 0.000 0.206 22 L C 2.618 179.495 176.870 0.012 0.000 1.074 22 L CA 2.807 57.655 54.840 0.014 0.000 0.745 22 L CB -0.762 41.307 42.059 0.016 0.000 0.898 22 L HN 0.366 nan 8.230 nan 0.000 0.433 23 T N -0.417 114.145 114.554 0.012 0.000 2.684 23 T HA -0.216 4.134 4.350 -0.000 0.000 0.267 23 T C 2.001 176.705 174.700 0.008 0.000 1.036 23 T CA 1.754 63.859 62.100 0.008 0.000 1.148 23 T CB -0.263 68.609 68.868 0.006 0.000 0.863 23 T HN 0.345 nan 8.240 nan 0.000 0.436 24 R N 0.831 121.337 120.500 0.010 0.000 2.120 24 R HA -0.031 4.309 4.340 -0.000 0.000 0.234 24 R C 3.002 179.311 176.300 0.014 0.000 1.123 24 R CA 1.513 57.621 56.100 0.013 0.000 0.975 24 R CB -0.341 29.967 30.300 0.014 0.000 0.866 24 R HN 0.620 nan 8.270 nan 0.000 0.446 25 E N 1.165 121.373 120.200 0.012 0.000 2.051 25 E HA -0.075 4.275 4.350 -0.000 0.000 0.189 25 E C 1.832 178.438 176.600 0.011 0.000 0.979 25 E CA 1.009 57.416 56.400 0.012 0.000 0.803 25 E CB -0.545 29.162 29.700 0.011 0.000 0.761 25 E HN 0.325 nan 8.360 nan 0.000 0.451 26 I N 0.649 121.223 120.570 0.008 0.000 2.315 26 I HA -0.121 4.049 4.170 -0.000 0.000 0.248 26 I C 2.948 179.068 176.117 0.006 0.000 1.117 26 I CA 1.128 62.430 61.300 0.003 0.000 1.404 26 I CB -0.006 37.991 38.000 -0.004 0.000 1.071 26 I HN 0.365 nan 8.210 nan 0.000 0.419 27 A N -0.006 122.821 122.820 0.011 0.000 1.968 27 A HA -0.178 4.142 4.320 -0.000 0.000 0.217 27 A C 1.899 179.503 177.584 0.034 0.000 1.169 27 A CA 1.614 53.664 52.037 0.023 0.000 0.638 27 A CB -0.380 18.635 19.000 0.024 0.000 0.812 27 A HN 0.302 nan 8.150 nan 0.000 0.446 28 D N -0.545 119.870 120.400 0.025 0.000 2.317 28 D HA -0.070 4.570 4.640 -0.000 0.000 0.211 28 D C 1.847 178.160 176.300 0.022 0.000 0.966 28 D CA 1.457 55.472 54.000 0.025 0.000 0.876 28 D CB 0.054 40.867 40.800 0.022 0.000 0.927 28 D HN 0.812 nan 8.370 nan 0.000 0.519 29 K N -0.258 120.155 120.400 0.021 0.000 2.370 29 K HA 0.098 4.418 4.320 -0.000 0.000 0.194 29 K C 1.353 177.968 176.600 0.026 0.000 1.070 29 K CA 0.263 56.562 56.287 0.020 0.000 0.998 29 K CB 0.524 33.033 32.500 0.015 0.000 0.911 29 K HN -0.138 nan 8.250 nan 0.000 0.533 30 V N 1.191 121.121 119.914 0.028 0.000 2.949 30 V HA 0.060 4.180 4.120 -0.000 0.000 0.245 30 V C 1.864 178.008 176.094 0.084 0.000 1.086 30 V CA 0.551 62.871 62.300 0.033 0.000 1.097 30 V CB 0.051 31.872 31.823 -0.003 0.000 0.762 30 V HN 0.211 nan 8.190 nan 0.000 0.470 31 L N -0.615 120.672 121.223 0.106 0.000 2.347 31 L HA 0.152 4.492 4.340 -0.000 0.000 0.196 31 L C 2.182 179.109 176.870 0.095 0.000 1.072 31 L CA 1.056 56.033 54.840 0.229 0.000 0.817 31 L CB -0.506 41.708 42.059 0.259 0.000 1.029 31 L HN 0.242 nan 8.230 nan 0.000 0.478 32 D N 0.491 120.915 120.400 0.040 0.000 2.144 32 D HA -0.122 4.517 4.640 -0.000 0.000 0.199 32 D C -0.818 175.451 176.300 -0.052 0.000 0.984 32 D CA 1.219 55.208 54.000 -0.019 0.000 0.834 32 D CB -0.554 40.249 40.800 0.006 0.000 0.955 32 D HN 0.171 nan 8.370 nan 0.000 0.465 33 P HA 0.059 nan 4.420 nan 0.000 0.233 33 P C 1.077 178.350 177.300 -0.045 0.000 1.167 33 P CA 0.771 63.854 63.100 -0.028 0.000 0.770 33 P CB -0.090 31.609 31.700 -0.001 0.000 0.837 34 I N -6.195 114.342 120.570 -0.055 0.000 4.403 34 I HA 0.149 4.319 4.170 -0.000 0.000 0.331 34 I C 1.737 177.720 176.117 -0.224 0.000 1.327 34 I CA -0.092 61.192 61.300 -0.027 0.000 1.175 34 I CB -0.253 37.863 38.000 0.194 0.000 1.165 34 I HN -0.308 nan 8.210 nan 0.000 0.413 35 V N 2.796 122.352 119.914 -0.596 0.000 2.287 35 V HA -0.262 3.858 4.120 -0.000 0.000 0.248 35 V C 2.163 177.896 176.094 -0.602 0.000 1.053 35 V CA 2.870 64.464 62.300 -1.175 0.000 1.027 35 V CB -0.435 30.651 31.823 -1.227 0.000 0.646 35 V HN 0.486 nan 8.190 nan 0.000 0.447 36 D N -0.438 119.751 120.400 -0.351 0.000 2.117 36 D HA -0.196 4.443 4.640 -0.000 0.000 0.198 36 D C 2.219 178.422 176.300 -0.161 0.000 0.982 36 D CA 1.683 55.546 54.000 -0.228 0.000 0.828 36 D CB -0.322 40.365 40.800 -0.188 0.000 0.967 36 D HN 0.503 nan 8.370 nan 0.000 0.464 37 R N 0.294 120.698 120.500 -0.160 0.000 2.070 37 R HA -0.153 4.186 4.340 -0.000 0.000 0.233 37 R C 2.308 178.533 176.300 -0.125 0.000 1.137 37 R CA 1.266 57.274 56.100 -0.153 0.000 0.945 37 R CB -0.164 30.022 30.300 -0.190 0.000 0.845 37 R HN 0.279 nan 8.270 nan 0.000 0.430 38 H N 0.051 119.092 119.070 -0.048 0.000 2.423 38 H HA -0.050 4.506 4.556 -0.000 0.000 0.297 38 H C 1.914 177.312 175.328 0.117 0.000 1.075 38 H CA 1.168 57.262 56.048 0.076 0.000 1.342 38 H CB 0.271 30.168 29.762 0.226 0.000 1.395 38 H HN 0.323 nan 8.280 nan 0.000 0.530 39 E N 0.795 121.097 120.200 0.171 0.000 2.107 39 E HA -0.109 4.241 4.350 -0.000 0.000 0.191 39 E C 2.252 178.970 176.600 0.196 0.000 0.982 39 E CA 0.484 57.009 56.400 0.209 0.000 0.809 39 E CB 0.101 29.853 29.700 0.086 0.000 0.756 39 E HN 0.213 nan 8.360 nan 0.000 0.459 40 K N 1.551 121.989 120.400 0.065 0.000 2.057 40 K HA -0.132 4.187 4.320 -0.000 0.000 0.207 40 K C 1.183 177.782 176.600 -0.002 0.000 1.049 40 K CA 1.568 57.865 56.287 0.018 0.000 0.931 40 K CB -0.078 32.400 32.500 -0.038 0.000 0.714 40 K HN -0.093 nan 8.250 nan 0.000 0.440 41 D N 0.599 121.003 120.400 0.005 0.000 2.354 41 D HA -0.014 4.626 4.640 -0.000 0.000 0.209 41 D C -0.417 175.893 176.300 0.018 0.000 1.015 41 D CA 0.468 54.464 54.000 -0.006 0.000 0.867 41 D CB 0.210 41.000 40.800 -0.017 0.000 0.933 41 D HN 0.388 nan 8.370 nan 0.000 0.520 42 E N 0.081 120.320 120.200 0.065 0.000 2.637 42 E HA -0.162 4.187 4.350 -0.000 0.000 0.265 42 E C -0.255 176.444 176.600 0.164 0.000 1.073 42 E CA 0.577 57.032 56.400 0.093 0.000 0.778 42 E CB -2.536 27.107 29.700 -0.094 0.000 1.362 42 E HN 0.363 nan 8.360 nan 0.000 0.413 43 T N -2.315 112.384 114.554 0.241 0.000 2.943 43 T HA 0.465 4.814 4.350 -0.000 0.000 0.284 43 T C -0.290 174.649 174.700 0.397 0.000 1.015 43 T CA -0.846 61.435 62.100 0.302 0.000 1.042 43 T CB 1.582 70.622 68.868 0.286 0.000 1.055 43 T HN 0.228 nan 8.240 nan 0.000 0.500 44 Y N 3.435 123.849 120.300 0.191 0.000 2.316 44 Y HA 0.377 4.927 4.550 -0.000 0.000 0.331 44 Y C -1.921 173.987 175.900 0.013 0.000 1.083 44 Y CA -2.355 55.800 58.100 0.092 0.000 1.206 44 Y CB 1.090 39.587 38.460 0.061 0.000 1.195 44 Y HN 0.475 nan 8.280 nan 0.000 0.497 45 P HA 0.007 nan 4.420 nan 0.000 0.237 45 P C -0.668 176.400 177.300 -0.386 0.000 1.788 45 P CA 0.062 62.772 63.100 -0.651 0.000 1.061 45 P CB 0.151 31.382 31.700 -0.782 0.000 1.967 46 E N 1.306 121.486 120.200 -0.033 0.000 2.415 46 E HA 0.187 4.537 4.350 -0.000 0.000 0.263 46 E C 1.619 178.257 176.600 0.064 0.000 0.995 46 E CA 1.135 57.623 56.400 0.146 0.000 0.915 46 E CB 0.258 30.088 29.700 0.217 0.000 0.951 46 E HN 0.633 nan 8.360 nan 0.000 0.449 47 G N 2.400 111.252 108.800 0.086 0.000 2.225 47 G HA2 -0.325 3.635 3.960 -0.000 0.000 0.254 47 G HA3 -0.325 3.635 3.960 -0.000 0.000 0.254 47 G C 1.118 176.010 174.900 -0.013 0.000 0.988 47 G CA 0.292 45.419 45.100 0.046 0.000 0.625 47 G HN 0.441 nan 8.290 nan 0.000 0.527 48 V N 0.310 120.164 119.914 -0.101 0.000 2.358 48 V HA -0.001 4.119 4.120 -0.000 0.000 0.246 48 V C 2.401 178.306 176.094 -0.314 0.000 1.047 48 V CA 2.536 64.679 62.300 -0.262 0.000 1.035 48 V CB -0.616 30.915 31.823 -0.487 0.000 0.658 48 V HN 0.399 nan 8.190 nan 0.000 0.452 49 F N 1.087 120.955 119.950 -0.136 0.000 2.234 49 F HA -0.071 4.456 4.527 -0.000 0.000 0.299 49 F C 2.676 178.424 175.800 -0.086 0.000 1.087 49 F CA 1.465 59.394 58.000 -0.118 0.000 1.340 49 F CB -0.974 37.953 39.000 -0.121 0.000 1.031 49 F HN 0.280 nan 8.300 nan 0.000 0.500 50 E N 0.472 120.724 120.200 0.087 0.000 2.077 50 E HA -0.254 4.096 4.350 -0.000 0.000 0.193 50 E C 1.894 178.502 176.600 0.014 0.000 0.989 50 E CA 1.728 58.154 56.400 0.045 0.000 0.800 50 E CB -0.981 28.744 29.700 0.042 0.000 0.746 50 E HN 0.630 nan 8.360 nan 0.000 0.452 51 Q N -0.611 119.180 119.800 -0.015 0.000 2.172 51 Q HA 0.112 4.452 4.340 -0.000 0.000 0.200 51 Q C 2.526 178.506 176.000 -0.033 0.000 0.964 51 Q CA 1.090 56.879 55.803 -0.024 0.000 0.855 51 Q CB -0.054 28.663 28.738 -0.035 0.000 0.918 51 Q HN 0.522 nan 8.270 nan 0.000 0.444 52 L N -0.189 120.996 121.223 -0.065 0.000 2.056 52 L HA -0.088 4.252 4.340 -0.000 0.000 0.207 52 L C 2.416 179.285 176.870 -0.003 0.000 1.078 52 L CA 1.083 55.891 54.840 -0.054 0.000 0.749 52 L CB -0.832 41.158 42.059 -0.114 0.000 0.901 52 L HN 0.337 nan 8.230 nan 0.000 0.433 53 G N -0.172 108.636 108.800 0.013 0.000 2.469 53 G HA2 -0.306 3.654 3.960 -0.000 0.000 0.219 53 G HA3 -0.306 3.654 3.960 -0.000 0.000 0.219 53 G C 1.700 176.619 174.900 0.033 0.000 1.150 53 G CA 0.883 46.002 45.100 0.031 0.000 0.763 53 G HN 0.481 nan 8.290 nan 0.000 0.561 54 A N 0.598 123.433 122.820 0.024 0.000 2.067 54 A HA 0.452 4.772 4.320 -0.000 0.000 0.219 54 A C 2.480 180.078 177.584 0.023 0.000 1.158 54 A CA 1.769 53.821 52.037 0.025 0.000 0.661 54 A CB -0.309 18.703 19.000 0.020 0.000 0.801 54 A HN 0.803 nan 8.150 nan 0.000 0.452 55 A N -1.731 121.101 122.820 0.020 0.000 2.278 55 A HA 0.436 4.756 4.320 -0.000 0.000 0.212 55 A C 1.667 179.268 177.584 0.029 0.000 1.213 55 A CA 1.036 53.085 52.037 0.020 0.000 0.840 55 A CB -0.870 18.138 19.000 0.012 0.000 0.866 55 A HN 1.772 nan 8.150 nan 0.000 0.489 56 G N -0.980 107.842 108.800 0.037 0.000 2.143 56 G HA2 -0.255 3.705 3.960 -0.000 0.000 0.249 56 G HA3 -0.255 3.705 3.960 -0.000 0.000 0.249 56 G C 0.660 175.596 174.900 0.060 0.000 0.981 56 G CA 0.475 45.605 45.100 0.049 0.000 0.665 56 G HN 0.507 nan 8.290 nan 0.000 0.528 57 L N -0.381 120.876 121.223 0.057 0.000 2.558 57 L HA 0.342 4.682 4.340 -0.000 0.000 0.225 57 L C 2.338 179.273 176.870 0.108 0.000 1.128 57 L CA 0.236 55.120 54.840 0.072 0.000 0.868 57 L CB -0.049 42.035 42.059 0.043 0.000 1.006 57 L HN 0.275 nan 8.230 nan 0.000 0.454 58 L N -0.802 120.487 121.223 0.111 0.000 2.607 58 L HA 0.096 4.436 4.340 -0.000 0.000 0.228 58 L C 0.962 177.973 176.870 0.234 0.000 1.123 58 L CA 0.272 55.214 54.840 0.169 0.000 0.890 58 L CB 0.101 42.203 42.059 0.072 0.000 1.103 58 L HN 0.282 nan 8.230 nan 0.000 0.468 59 S N -2.178 113.606 115.700 0.140 0.000 2.941 59 S HA 0.270 4.740 4.470 -0.000 0.000 0.248 59 S C 0.806 175.418 174.600 0.020 0.000 0.962 59 S CA -0.471 57.785 58.200 0.094 0.000 1.092 59 S CB -0.218 63.058 63.200 0.127 0.000 1.113 59 S HN 0.131 nan 8.310 nan 0.000 0.512 60 L N 1.258 122.472 121.223 -0.014 0.000 2.056 60 L HA 0.085 4.425 4.340 -0.000 0.000 0.207 60 L C -0.597 176.209 176.870 -0.107 0.000 1.078 60 L CA 1.214 56.039 54.840 -0.025 0.000 0.749 60 L CB -0.962 41.140 42.059 0.071 0.000 0.901 60 L HN 0.339 nan 8.230 nan 0.000 0.433 61 P HA 0.005 nan 4.420 nan 0.000 0.251 61 P C 0.132 177.400 177.300 -0.053 0.000 1.223 61 P CA 0.270 63.239 63.100 -0.218 0.000 0.796 61 P CB 0.239 31.634 31.700 -0.509 0.000 1.068 62 Q N 1.273 121.051 119.800 -0.035 0.000 2.394 62 Q HA 0.276 4.615 4.340 -0.000 0.000 0.248 62 Q C -2.255 173.796 176.000 0.085 0.000 0.992 62 Q CA -1.643 54.186 55.803 0.044 0.000 0.888 62 Q CB -0.877 27.893 28.738 0.053 0.000 1.257 62 Q HN 0.112 nan 8.270 nan 0.000 0.462 63 P HA 0.014 nan 4.420 nan 0.000 0.268 63 P C 0.114 177.468 177.300 0.089 0.000 1.205 63 P CA 0.342 63.513 63.100 0.118 0.000 0.771 63 P CB 0.610 32.414 31.700 0.174 0.000 0.858 64 E N 2.853 123.066 120.200 0.022 0.000 2.110 64 E HA -0.275 4.075 4.350 -0.000 0.000 0.193 64 E C 1.764 178.327 176.600 -0.063 0.000 0.988 64 E CA 1.819 58.217 56.400 -0.005 0.000 0.804 64 E CB -1.326 28.364 29.700 -0.017 0.000 0.745 64 E HN 0.777 nan 8.360 nan 0.000 0.458 65 E N -1.267 118.830 120.200 -0.170 0.000 2.171 65 E HA -0.204 4.146 4.350 -0.000 0.000 0.197 65 E C 1.392 177.715 176.600 -0.463 0.000 0.997 65 E CA 1.467 57.634 56.400 -0.388 0.000 0.810 65 E CB -0.370 28.977 29.700 -0.588 0.000 0.738 65 E HN 0.828 nan 8.360 nan 0.000 0.467 66 W N -0.503 120.796 121.300 -0.001 0.000 3.239 66 W HA 0.374 5.034 4.660 -0.000 0.000 0.348 66 W C 1.116 177.642 176.519 0.010 0.000 1.183 66 W CA -0.016 57.330 57.345 0.002 0.000 1.819 66 W CB 1.049 30.509 29.460 -0.001 0.000 1.091 66 W HN 0.287 nan 8.180 nan 0.000 0.629 67 G N 0.118 109.007 108.800 0.150 0.000 2.159 67 G HA2 -0.188 3.772 3.960 -0.000 0.000 0.227 67 G HA3 -0.188 3.772 3.960 -0.000 0.000 0.227 67 G C 0.531 175.491 174.900 0.100 0.000 0.986 67 G CA -0.450 44.715 45.100 0.109 0.000 0.651 67 G HN 0.463 nan 8.290 nan 0.000 0.523 68 G N -0.897 107.968 108.800 0.108 0.000 2.543 68 G HA2 0.584 4.544 3.960 -0.000 0.000 0.290 68 G HA3 0.584 4.544 3.960 -0.000 0.000 0.290 68 G C 1.180 176.111 174.900 0.052 0.000 1.310 68 G CA 0.103 45.252 45.100 0.081 0.000 1.025 68 G HN 1.137 nan 8.290 nan 0.000 0.502 69 G N -1.530 107.293 108.800 0.039 0.000 2.880 69 G HA2 0.357 4.317 3.960 -0.000 0.000 0.209 69 G HA3 0.357 4.317 3.960 -0.000 0.000 0.209 69 G C 1.333 176.250 174.900 0.027 0.000 1.157 69 G CA 0.892 46.011 45.100 0.031 0.000 0.779 69 G HN 1.892 nan 8.290 nan 0.000 0.539 70 G N -0.004 108.813 108.800 0.028 0.000 2.379 70 G HA2 -0.279 3.681 3.960 -0.000 0.000 0.297 70 G HA3 -0.279 3.681 3.960 -0.000 0.000 0.297 70 G C 0.315 175.236 174.900 0.035 0.000 1.004 70 G CA 0.233 45.351 45.100 0.031 0.000 0.921 70 G HN 0.459 nan 8.290 nan 0.000 0.511 71 Q N 0.113 119.934 119.800 0.034 0.000 2.293 71 Q HA 0.337 4.677 4.340 -0.000 0.000 0.251 71 Q C -1.748 174.302 176.000 0.084 0.000 0.930 71 Q CA -1.529 54.307 55.803 0.054 0.000 0.893 71 Q CB 1.230 30.005 28.738 0.061 0.000 1.215 71 Q HN 0.345 nan 8.270 nan 0.000 0.425 72 P HA -0.006 nan 4.420 nan 0.000 0.272 72 P C 0.235 177.676 177.300 0.236 0.000 1.230 72 P CA -0.096 63.095 63.100 0.151 0.000 0.788 72 P CB 0.522 32.285 31.700 0.105 0.000 0.949 73 Y N 0.215 120.567 120.300 0.086 0.000 2.256 73 Y HA -0.197 4.353 4.550 -0.000 0.000 0.288 73 Y C 2.572 178.558 175.900 0.144 0.000 1.155 73 Y CA 1.765 59.963 58.100 0.163 0.000 1.203 73 Y CB -0.590 37.922 38.460 0.087 0.000 0.980 73 Y HN 0.497 nan 8.280 nan 0.000 0.530 74 E N -0.531 119.803 120.200 0.224 0.000 2.267 74 E HA -0.162 4.187 4.350 -0.000 0.000 0.197 74 E C 1.772 178.445 176.600 0.123 0.000 0.998 74 E CA 1.283 57.775 56.400 0.153 0.000 0.830 74 E CB 0.030 29.788 29.700 0.098 0.000 0.751 74 E HN 0.317 nan 8.360 nan 0.000 0.491 75 V N -0.285 119.701 119.914 0.120 0.000 2.690 75 V HA -0.134 3.986 4.120 -0.000 0.000 0.240 75 V C 1.817 177.962 176.094 0.086 0.000 1.078 75 V CA 1.080 63.435 62.300 0.092 0.000 1.102 75 V CB -0.636 31.237 31.823 0.084 0.000 0.800 75 V HN 0.343 nan 8.190 nan 0.000 0.479 76 Y N 1.416 121.685 120.300 -0.051 0.000 2.114 76 Y HA -0.265 4.285 4.550 -0.000 0.000 0.282 76 Y C 2.112 177.920 175.900 -0.152 0.000 1.165 76 Y CA 1.851 59.872 58.100 -0.132 0.000 1.148 76 Y CB -0.516 37.788 38.460 -0.260 0.000 0.972 76 Y HN 0.159 nan 8.280 nan 0.000 0.504 77 L N 0.134 121.116 121.223 -0.402 0.000 2.079 77 L HA -0.280 4.059 4.340 -0.000 0.000 0.210 77 L C 2.513 179.224 176.870 -0.265 0.000 1.081 77 L CA 1.785 56.336 54.840 -0.483 0.000 0.752 77 L CB -0.641 41.272 42.059 -0.242 0.000 0.896 77 L HN 0.378 nan 8.230 nan 0.000 0.433 78 Q N -0.912 118.863 119.800 -0.042 0.000 2.230 78 Q HA -0.108 4.232 4.340 -0.000 0.000 0.202 78 Q C 2.360 178.337 176.000 -0.038 0.000 0.963 78 Q CA 0.922 56.747 55.803 0.037 0.000 0.866 78 Q CB 0.025 28.812 28.738 0.082 0.000 0.931 78 Q HN 0.380 nan 8.270 nan 0.000 0.452 79 V N 0.971 120.835 119.914 -0.084 0.000 2.307 79 V HA -0.240 3.880 4.120 -0.000 0.000 0.245 79 V C 2.157 178.177 176.094 -0.123 0.000 1.045 79 V CA 1.232 63.489 62.300 -0.071 0.000 1.024 79 V CB -0.432 31.374 31.823 -0.027 0.000 0.651 79 V HN 0.260 nan 8.190 nan 0.000 0.449 80 L N 0.234 121.303 121.223 -0.257 0.000 2.013 80 L HA -0.236 4.104 4.340 -0.000 0.000 0.212 80 L C 2.523 179.286 176.870 -0.179 0.000 1.073 80 L CA 2.237 56.913 54.840 -0.274 0.000 0.753 80 L CB -0.759 40.997 42.059 -0.505 0.000 0.890 80 L HN 0.416 nan 8.230 nan 0.000 0.432 81 E N -0.891 119.208 120.200 -0.168 0.000 2.085 81 E HA -0.244 4.106 4.350 -0.000 0.000 0.194 81 E C 1.943 178.517 176.600 -0.043 0.000 0.994 81 E CA 1.345 57.695 56.400 -0.084 0.000 0.801 81 E CB 0.072 29.779 29.700 0.012 0.000 0.743 81 E HN 0.537 nan 8.360 nan 0.000 0.453 82 E N 0.322 120.501 120.200 -0.035 0.000 2.072 82 E HA -0.160 4.189 4.350 -0.000 0.000 0.191 82 E C 2.288 178.880 176.600 -0.014 0.000 0.985 82 E CA 0.693 57.084 56.400 -0.015 0.000 0.801 82 E CB -0.217 29.479 29.700 -0.007 0.000 0.750 82 E HN 0.409 nan 8.360 nan 0.000 0.452 83 I N 1.468 122.022 120.570 -0.027 0.000 2.127 83 I HA -0.294 3.876 4.170 -0.000 0.000 0.241 83 I C 2.584 178.708 176.117 0.011 0.000 1.075 83 I CA 1.376 62.668 61.300 -0.013 0.000 1.334 83 I CB -0.452 37.526 38.000 -0.038 0.000 1.040 83 I HN 0.002 nan 8.210 nan 0.000 0.405 84 A N 0.665 123.476 122.820 -0.015 0.000 1.978 84 A HA -0.197 4.123 4.320 -0.000 0.000 0.220 84 A C 2.475 180.045 177.584 -0.023 0.000 1.170 84 A CA 1.877 53.910 52.037 -0.007 0.000 0.636 84 A CB -0.869 18.106 19.000 -0.042 0.000 0.810 84 A HN 0.479 nan 8.150 nan 0.000 0.448 85 A N -0.996 121.803 122.820 -0.034 0.000 2.070 85 A HA -0.069 4.251 4.320 -0.000 0.000 0.220 85 A C 2.165 179.743 177.584 -0.010 0.000 1.159 85 A CA 1.749 53.752 52.037 -0.057 0.000 0.656 85 A CB -0.245 18.735 19.000 -0.033 0.000 0.800 85 A HN 0.476 nan 8.150 nan 0.000 0.453 86 R N -3.687 116.841 120.500 0.048 0.000 2.167 86 R HA 0.148 4.488 4.340 -0.000 0.000 0.201 86 R C -0.254 176.145 176.300 0.166 0.000 1.024 86 R CA 0.660 56.817 56.100 0.094 0.000 1.053 86 R CB 0.365 30.723 30.300 0.097 0.000 0.987 86 R HN 0.545 nan 8.270 nan 0.000 0.493 87 W N -0.424 120.869 121.300 -0.012 0.000 2.916 87 W HA 0.460 5.120 4.660 -0.000 0.000 0.317 87 W C -0.299 176.209 176.519 -0.017 0.000 1.047 87 W CA -1.524 55.817 57.345 -0.006 0.000 1.234 87 W CB 0.746 30.179 29.460 -0.045 0.000 1.143 87 W HN 0.056 nan 8.180 nan 0.000 0.372 88 A N 2.204 125.229 122.820 0.343 0.000 1.930 88 A HA -0.129 4.191 4.320 -0.000 0.000 0.217 88 A C 2.088 179.762 177.584 0.150 0.000 1.175 88 A CA 2.328 54.470 52.037 0.174 0.000 0.627 88 A CB -0.460 18.607 19.000 0.111 0.000 0.815 88 A HN 0.581 nan 8.150 nan 0.000 0.443 89 S N -0.550 115.279 115.700 0.215 0.000 2.382 89 S HA -0.112 4.358 4.470 -0.000 0.000 0.228 89 S C 1.867 176.409 174.600 -0.096 0.000 1.027 89 S CA 1.584 59.834 58.200 0.083 0.000 0.991 89 S CB -0.457 62.832 63.200 0.147 0.000 0.823 89 S HN 0.264 nan 8.310 nan 0.000 0.469 90 V N 2.014 121.719 119.914 -0.348 0.000 2.427 90 V HA -0.074 4.046 4.120 -0.000 0.000 0.248 90 V C 2.940 178.972 176.094 -0.102 0.000 1.051 90 V CA 1.653 63.726 62.300 -0.379 0.000 1.048 90 V CB -1.308 30.015 31.823 -0.832 0.000 0.666 90 V HN 0.632 nan 8.190 nan 0.000 0.456 91 A N -0.298 122.488 122.820 -0.056 0.000 1.933 91 A HA -0.152 4.168 4.320 -0.000 0.000 0.218 91 A C 2.387 179.976 177.584 0.009 0.000 1.175 91 A CA 1.956 53.982 52.037 -0.017 0.000 0.628 91 A CB -0.629 18.359 19.000 -0.021 0.000 0.814 91 A HN 0.332 nan 8.150 nan 0.000 0.444 92 V N -0.109 119.820 119.914 0.026 0.000 2.343 92 V HA -0.274 3.846 4.120 -0.000 0.000 0.247 92 V C 3.053 179.162 176.094 0.025 0.000 1.051 92 V CA 2.001 64.316 62.300 0.025 0.000 1.036 92 V CB -1.199 30.671 31.823 0.078 0.000 0.654 92 V HN 0.617 nan 8.190 nan 0.000 0.451 93 A N -0.404 122.451 122.820 0.057 0.000 1.972 93 A HA -0.146 4.174 4.320 -0.000 0.000 0.219 93 A C 2.373 180.062 177.584 0.173 0.000 1.169 93 A CA 1.936 54.032 52.037 0.097 0.000 0.635 93 A CB -0.595 18.457 19.000 0.086 0.000 0.810 93 A HN 0.352 nan 8.150 nan 0.000 0.446 94 V N -0.583 119.452 119.914 0.202 0.000 2.343 94 V HA -0.209 3.911 4.120 -0.000 0.000 0.247 94 V C 2.793 179.002 176.094 0.191 0.000 1.051 94 V CA 2.274 64.703 62.300 0.215 0.000 1.036 94 V CB -0.768 31.147 31.823 0.154 0.000 0.654 94 V HN 0.655 nan 8.190 nan 0.000 0.451 95 S N -0.454 115.310 115.700 0.106 0.000 2.368 95 S HA -0.171 4.299 4.470 -0.000 0.000 0.225 95 S C 2.006 176.632 174.600 0.043 0.000 1.030 95 S CA 1.809 60.054 58.200 0.075 0.000 0.999 95 S CB -0.196 62.995 63.200 -0.014 0.000 0.844 95 S HN 0.320 nan 8.310 nan 0.000 0.459 96 V N 1.420 121.349 119.914 0.025 0.000 2.343 96 V HA -0.161 3.958 4.120 -0.000 0.000 0.247 96 V C 2.324 178.448 176.094 0.049 0.000 1.051 96 V CA 2.406 64.707 62.300 0.002 0.000 1.036 96 V CB -0.977 30.859 31.823 0.022 0.000 0.654 96 V HN 0.699 nan 8.190 nan 0.000 0.451 97 H N 0.159 119.228 119.070 -0.001 0.000 2.353 97 H HA -0.170 4.386 4.556 -0.000 0.000 0.298 97 H C 2.500 177.863 175.328 0.059 0.000 1.103 97 H CA 2.105 58.150 56.048 -0.006 0.000 1.293 97 H CB -0.273 29.483 29.762 -0.009 0.000 1.372 97 H HN 0.330 nan 8.280 nan 0.000 0.501 98 S N -0.602 115.078 115.700 -0.034 0.000 2.370 98 S HA -0.129 4.341 4.470 -0.000 0.000 0.226 98 S C 2.200 176.777 174.600 -0.038 0.000 1.033 98 S CA 1.399 59.557 58.200 -0.070 0.000 1.011 98 S CB -0.280 62.925 63.200 0.009 0.000 0.852 98 S HN 0.383 nan 8.310 nan 0.000 0.457 99 L N 1.431 122.620 121.223 -0.058 0.000 2.093 99 L HA -0.067 4.272 4.340 -0.000 0.000 0.208 99 L C 2.633 179.551 176.870 0.079 0.000 1.085 99 L CA 1.301 56.071 54.840 -0.117 0.000 0.755 99 L CB -0.640 41.143 42.059 -0.460 0.000 0.904 99 L HN 0.390 nan 8.230 nan 0.000 0.435 100 S N -0.982 114.801 115.700 0.138 0.000 2.442 100 S HA -0.163 4.307 4.470 -0.000 0.000 0.236 100 S C 1.964 176.759 174.600 0.326 0.000 1.007 100 S CA 1.194 59.597 58.200 0.339 0.000 0.965 100 S CB -0.455 62.871 63.200 0.210 0.000 0.773 100 S HN 0.524 nan 8.310 nan 0.000 0.504 101 S N -0.167 115.635 115.700 0.171 0.000 2.535 101 S HA 0.126 4.596 4.470 -0.000 0.000 0.214 101 S C 1.490 176.146 174.600 0.093 0.000 0.980 101 S CA 0.312 58.562 58.200 0.083 0.000 0.907 101 S CB -0.668 62.518 63.200 -0.024 0.000 0.790 101 S HN 0.766 nan 8.310 nan 0.000 0.510 102 H N 3.319 122.439 119.070 0.083 0.000 2.319 102 H HA 0.080 4.636 4.556 -0.000 0.000 0.299 102 H C -0.994 174.438 175.328 0.173 0.000 1.092 102 H CA 2.151 58.266 56.048 0.112 0.000 1.302 102 H CB -1.252 28.589 29.762 0.132 0.000 1.373 102 H HN 0.327 nan 8.280 nan 0.000 0.497 103 P HA -0.186 nan 4.420 nan 0.000 0.214 103 P C 1.783 179.110 177.300 0.045 0.000 1.163 103 P CA 1.268 64.430 63.100 0.103 0.000 0.889 103 P CB -0.159 31.576 31.700 0.059 0.000 0.790 104 L N -1.027 120.178 121.223 -0.029 0.000 2.083 104 L HA -0.129 4.211 4.340 -0.000 0.000 0.209 104 L C 2.162 178.941 176.870 -0.152 0.000 1.083 104 L CA 1.695 56.488 54.840 -0.078 0.000 0.752 104 L CB -1.535 40.459 42.059 -0.108 0.000 0.899 104 L HN -0.129 nan 8.230 nan 0.000 0.433 105 L N -1.661 119.456 121.223 -0.176 0.000 2.093 105 L HA -0.091 4.249 4.340 -0.000 0.000 0.208 105 L C 2.076 178.816 176.870 -0.218 0.000 1.085 105 L CA 1.631 56.333 54.840 -0.231 0.000 0.755 105 L CB -0.275 41.691 42.059 -0.155 0.000 0.904 105 L HN 0.107 nan 8.230 nan 0.000 0.435 106 V N -1.901 117.856 119.914 -0.261 0.000 2.949 106 V HA 0.015 4.135 4.120 -0.000 0.000 0.245 106 V C 1.338 177.072 176.094 -0.600 0.000 1.086 106 V CA 1.194 63.220 62.300 -0.457 0.000 1.097 106 V CB -0.220 31.202 31.823 -0.668 0.000 0.762 106 V HN 0.335 nan 8.190 nan 0.000 0.470 107 F N 0.005 119.869 119.950 -0.143 0.000 2.831 107 F HA 0.506 5.033 4.527 -0.000 0.000 0.334 107 F C 1.584 177.330 175.800 -0.089 0.000 1.071 107 F CA -0.077 57.866 58.000 -0.095 0.000 1.172 107 F CB -0.036 38.914 39.000 -0.084 0.000 1.054 107 F HN 0.108 nan 8.300 nan 0.000 0.572 108 G N 0.596 109.418 108.800 0.037 0.000 2.544 108 G HA2 0.299 4.259 3.960 -0.000 0.000 0.242 108 G HA3 0.299 4.259 3.960 -0.000 0.000 0.242 108 G C 0.096 174.977 174.900 -0.032 0.000 1.247 108 G CA -0.025 45.069 45.100 -0.009 0.000 0.840 108 G HN -0.047 nan 8.290 nan 0.000 0.578 109 T N -0.159 114.385 114.554 -0.018 0.000 2.813 109 T HA 0.088 4.438 4.350 -0.000 0.000 0.297 109 T C 1.587 176.262 174.700 -0.043 0.000 1.036 109 T CA -0.011 62.078 62.100 -0.019 0.000 1.044 109 T CB 0.932 69.796 68.868 -0.006 0.000 0.993 109 T HN 0.629 nan 8.240 nan 0.000 0.535 110 E N 0.993 121.187 120.200 -0.010 0.000 2.110 110 E HA -0.113 4.236 4.350 -0.000 0.000 0.193 110 E C 1.985 178.579 176.600 -0.010 0.000 0.988 110 E CA 1.469 57.883 56.400 0.023 0.000 0.804 110 E CB 0.003 29.743 29.700 0.067 0.000 0.745 110 E HN 0.738 nan 8.360 nan 0.000 0.458 111 E N -0.098 120.076 120.200 -0.042 0.000 2.077 111 E HA -0.244 4.106 4.350 -0.000 0.000 0.193 111 E C 1.941 178.432 176.600 -0.182 0.000 0.989 111 E CA 1.182 57.528 56.400 -0.090 0.000 0.800 111 E CB 0.027 29.678 29.700 -0.081 0.000 0.746 111 E HN 0.349 nan 8.360 nan 0.000 0.452 112 Q N 0.145 119.847 119.800 -0.162 0.000 2.119 112 Q HA -0.145 4.195 4.340 -0.000 0.000 0.201 112 Q C 2.142 178.029 176.000 -0.188 0.000 0.972 112 Q CA 1.343 57.034 55.803 -0.186 0.000 0.847 112 Q CB 0.006 28.763 28.738 0.031 0.000 0.903 112 Q HN 0.167 nan 8.270 nan 0.000 0.433 113 K N 0.837 121.095 120.400 -0.237 0.000 2.097 113 K HA -0.093 4.227 4.320 -0.000 0.000 0.205 113 K C 1.972 178.387 176.600 -0.309 0.000 1.050 113 K CA 0.910 56.934 56.287 -0.437 0.000 0.938 113 K CB 0.018 31.973 32.500 -0.907 0.000 0.718 113 K HN 0.074 nan 8.250 nan 0.000 0.442 114 K N 0.647 120.974 120.400 -0.122 0.000 2.097 114 K HA -0.122 4.198 4.320 -0.000 0.000 0.205 114 K C 2.237 178.773 176.600 -0.105 0.000 1.050 114 K CA 0.931 57.235 56.287 0.029 0.000 0.938 114 K CB -0.030 32.501 32.500 0.052 0.000 0.718 114 K HN 0.064 nan 8.250 nan 0.000 0.442 115 R N -0.339 119.979 120.500 -0.302 0.000 2.070 115 R HA -0.140 4.200 4.340 -0.000 0.000 0.233 115 R C 1.389 177.441 176.300 -0.413 0.000 1.137 115 R CA 1.642 57.416 56.100 -0.544 0.000 0.945 115 R CB 0.113 29.738 30.300 -1.125 0.000 0.845 115 R HN 0.309 nan 8.270 nan 0.000 0.430 116 W N -1.014 120.225 121.300 -0.101 0.000 2.968 116 W HA 0.187 4.847 4.660 -0.000 0.000 0.253 116 W C 1.712 178.133 176.519 -0.163 0.000 1.150 116 W CA -0.378 56.883 57.345 -0.141 0.000 1.463 116 W CB -0.558 28.783 29.460 -0.199 0.000 0.906 116 W HN 0.065 nan 8.180 nan 0.000 0.650 117 L N 0.843 122.080 121.223 0.024 0.000 2.012 117 L HA -0.187 4.153 4.340 -0.000 0.000 0.210 117 L C -0.319 176.590 176.870 0.065 0.000 1.073 117 L CA 1.853 56.669 54.840 -0.041 0.000 0.748 117 L CB -1.890 40.044 42.059 -0.207 0.000 0.891 117 L HN -0.206 nan 8.230 nan 0.000 0.431 118 P HA -0.175 nan 4.420 nan 0.000 0.216 118 P C 1.480 178.847 177.300 0.112 0.000 1.153 118 P CA 1.854 65.038 63.100 0.140 0.000 0.858 118 P CB -0.204 31.575 31.700 0.132 0.000 0.789 119 G N -0.833 108.029 108.800 0.102 0.000 2.404 119 G HA2 -0.252 3.708 3.960 -0.000 0.000 0.215 119 G HA3 -0.252 3.708 3.960 -0.000 0.000 0.215 119 G C 1.445 176.418 174.900 0.123 0.000 1.174 119 G CA 1.026 46.190 45.100 0.107 0.000 0.780 119 G HN 0.201 nan 8.290 nan 0.000 0.537 120 M N -0.000 119.651 119.600 0.085 0.000 2.149 120 M HA 0.039 4.519 4.480 -0.000 0.000 0.261 120 M C 1.925 178.375 176.300 0.249 0.000 1.064 120 M CA 1.227 56.615 55.300 0.147 0.000 1.102 120 M CB -0.264 32.260 32.600 -0.128 0.000 1.369 120 M HN 0.098 nan 8.290 nan 0.000 0.408 121 L N -0.556 120.767 121.223 0.168 0.000 2.653 121 L HA 0.125 4.464 4.340 -0.000 0.000 0.231 121 L C 2.212 179.173 176.870 0.151 0.000 1.153 121 L CA -0.147 54.800 54.840 0.179 0.000 0.933 121 L CB -0.510 41.634 42.059 0.142 0.000 1.175 121 L HN 0.302 nan 8.230 nan 0.000 0.473 122 S N -0.341 115.440 115.700 0.135 0.000 2.428 122 S HA 0.009 4.479 4.470 -0.000 0.000 0.230 122 S C 1.711 176.364 174.600 0.089 0.000 1.014 122 S CA 0.918 59.179 58.200 0.102 0.000 0.957 122 S CB 0.085 63.339 63.200 0.090 0.000 0.784 122 S HN 0.533 nan 8.310 nan 0.000 0.499 123 G N 0.758 109.616 108.800 0.096 0.000 2.195 123 G HA2 -0.211 3.749 3.960 -0.000 0.000 0.224 123 G HA3 -0.211 3.749 3.960 -0.000 0.000 0.224 123 G C 0.582 175.505 174.900 0.038 0.000 0.990 123 G CA 0.280 45.417 45.100 0.062 0.000 0.639 123 G HN 0.555 nan 8.290 nan 0.000 0.514 124 E N -0.070 120.159 120.200 0.048 0.000 2.415 124 E HA 0.157 4.507 4.350 -0.000 0.000 0.197 124 E C 1.138 177.749 176.600 0.019 0.000 1.007 124 E CA 0.247 56.669 56.400 0.037 0.000 0.890 124 E CB 0.312 30.040 29.700 0.047 0.000 0.891 124 E HN 0.623 nan 8.360 nan 0.000 0.496 125 Q N 0.405 120.224 119.800 0.031 0.000 2.241 125 Q HA 0.559 4.899 4.340 -0.000 0.000 0.262 125 Q C -1.169 174.742 176.000 -0.149 0.000 1.014 125 Q CA -0.787 55.024 55.803 0.014 0.000 0.885 125 Q CB 2.324 31.178 28.738 0.193 0.000 1.311 125 Q HN -0.029 nan 8.270 nan 0.000 0.461 126 I N -0.201 120.185 120.570 -0.306 0.000 2.619 126 I HA 0.571 4.740 4.170 -0.000 0.000 0.292 126 I C -0.918 174.753 176.117 -0.744 0.000 1.100 126 I CA -0.140 60.815 61.300 -0.575 0.000 1.043 126 I CB 2.066 39.582 38.000 -0.807 0.000 1.239 126 I HN 0.598 nan 8.210 nan 0.000 0.420 127 G N 4.940 113.372 108.800 -0.615 0.000 2.454 127 G HA2 0.868 4.827 3.960 -0.000 0.000 0.329 127 G HA3 0.868 4.827 3.960 -0.000 0.000 0.329 127 G C -1.511 173.035 174.900 -0.589 0.000 1.177 127 G CA -0.332 44.031 45.100 -1.229 0.000 0.951 127 G HN 0.901 nan 8.290 nan 0.000 0.485 128 A N -0.041 122.449 122.820 -0.551 0.000 2.479 128 A HA 0.781 5.101 4.320 -0.000 0.000 0.296 128 A C -1.997 175.677 177.584 0.149 0.000 1.121 128 A CA -0.705 51.251 52.037 -0.136 0.000 0.743 128 A CB 1.742 20.661 19.000 -0.135 0.000 1.323 128 A HN 0.851 nan 8.150 nan 0.000 0.415 129 Y N 0.392 120.762 120.300 0.116 0.000 2.361 129 Y HA 0.601 5.151 4.550 -0.000 0.000 0.337 129 Y C -0.012 176.030 175.900 0.237 0.000 0.965 129 Y CA -0.248 57.959 58.100 0.180 0.000 1.091 129 Y CB 2.118 40.658 38.460 0.133 0.000 1.182 129 Y HN 0.569 nan 8.280 nan 0.000 0.450 130 S N 6.788 122.489 115.700 0.002 0.000 2.524 130 S HA 0.391 4.861 4.470 -0.000 0.000 0.227 130 S C -0.599 174.066 174.600 0.109 0.000 1.304 130 S CA -0.431 57.842 58.200 0.122 0.000 1.185 130 S CB 0.336 63.658 63.200 0.203 0.000 1.104 130 S HN 0.841 nan 8.310 nan 0.000 0.475 131 L N 3.877 125.166 121.223 0.110 0.000 2.746 131 L HA 0.609 4.948 4.340 -0.000 0.000 0.230 131 L C 0.605 177.527 176.870 0.087 0.000 1.034 131 L CA 0.582 55.476 54.840 0.090 0.000 0.922 131 L CB 0.063 42.070 42.059 -0.087 0.000 1.496 131 L HN 0.469 nan 8.230 nan 0.000 0.498 132 S N 1.240 117.015 115.700 0.124 0.000 2.573 132 S HA 0.524 4.994 4.470 -0.000 0.000 0.277 132 S C 0.136 174.831 174.600 0.157 0.000 1.346 132 S CA 0.554 58.840 58.200 0.145 0.000 1.034 132 S CB 0.371 63.697 63.200 0.211 0.000 0.879 132 S HN 0.593 nan 8.310 nan 0.000 0.528 133 E N 1.727 122.014 120.200 0.145 0.000 2.429 133 E HA 0.714 5.064 4.350 -0.000 0.000 0.276 133 E C -2.993 173.692 176.600 0.141 0.000 0.953 133 E CA -1.545 54.932 56.400 0.128 0.000 0.787 133 E CB 0.242 29.994 29.700 0.086 0.000 1.307 133 E HN 0.541 nan 8.360 nan 0.000 0.458 145 C N 2.379 121.686 119.300 0.012 0.000 2.627 145 C HA 0.822 5.282 4.460 -0.000 0.000 0.404 145 C C 0.888 175.858 174.990 -0.034 0.000 1.340 145 C CA 0.371 59.382 59.018 -0.012 0.000 1.758 145 C CB -0.403 27.331 27.740 -0.011 0.000 2.501 145 C HN 1.000 nan 8.230 nan 0.000 0.588 146 A N 5.038 127.827 122.820 -0.052 0.000 2.365 146 A HA 0.850 5.170 4.320 -0.000 0.000 0.318 146 A C -0.410 177.127 177.584 -0.079 0.000 1.091 146 A CA -0.237 51.776 52.037 -0.040 0.000 0.763 146 A CB 1.197 20.190 19.000 -0.012 0.000 1.248 146 A HN 1.688 nan 8.150 nan 0.000 0.442 147 A N 1.694 124.486 122.820 -0.048 0.000 2.273 147 A HA 0.682 5.001 4.320 -0.000 0.000 0.315 147 A C 0.235 177.886 177.584 0.111 0.000 1.256 147 A CA 0.076 52.087 52.037 -0.044 0.000 0.851 147 A CB 0.196 19.099 19.000 -0.162 0.000 1.172 147 A HN 1.590 nan 8.150 nan 0.000 0.508 148 T N 1.761 116.371 114.554 0.094 0.000 2.829 148 T HA 0.657 5.007 4.350 -0.000 0.000 0.282 148 T C -2.560 172.197 174.700 0.094 0.000 0.990 148 T CA -2.154 60.003 62.100 0.095 0.000 1.028 148 T CB 1.027 69.913 68.868 0.031 0.000 0.951 148 T HN 0.369 nan 8.240 nan 0.000 0.460 149 P HA 0.277 nan 4.420 nan 0.000 0.267 149 P C -0.295 176.917 177.300 -0.147 0.000 1.201 149 P CA 0.062 63.063 63.100 -0.164 0.000 0.775 149 P CB 0.424 32.055 31.700 -0.115 0.000 0.854 150 T N -0.002 114.421 114.554 -0.218 0.000 2.739 150 T HA 0.136 4.486 4.350 -0.000 0.000 0.303 150 T C -1.296 173.320 174.700 -0.140 0.000 1.389 150 T CA -0.536 61.485 62.100 -0.132 0.000 1.001 150 T CB 0.920 69.736 68.868 -0.086 0.000 1.436 150 T HN 0.288 nan 8.240 nan 0.000 0.500 151 D N 0.388 120.736 120.400 -0.087 0.000 2.426 151 D HA 0.393 5.033 4.640 -0.000 0.000 0.261 151 D C 1.346 177.607 176.300 -0.066 0.000 1.245 151 D CA 2.049 56.007 54.000 -0.070 0.000 0.917 151 D CB -0.315 40.459 40.800 -0.044 0.000 1.123 151 D HN 0.931 nan 8.370 nan 0.000 0.508 152 G N 2.174 110.931 108.800 -0.072 0.000 2.179 152 G HA2 -0.078 3.881 3.960 -0.000 0.000 0.260 152 G HA3 -0.078 3.881 3.960 -0.000 0.000 0.260 152 G C 0.677 175.548 174.900 -0.048 0.000 0.977 152 G CA -0.042 45.031 45.100 -0.045 0.000 0.641 152 G HN 1.161 nan 8.290 nan 0.000 0.533 153 G N -1.564 107.153 108.800 -0.137 0.000 2.552 153 G HA2 0.593 4.553 3.960 -0.000 0.000 0.137 153 G HA3 0.593 4.553 3.960 -0.000 0.000 0.137 153 G C -1.305 173.342 174.900 -0.422 0.000 1.135 153 G CA -0.005 45.010 45.100 -0.142 0.000 1.047 153 G HN 0.813 nan 8.290 nan 0.000 0.501 154 Y N -1.257 119.027 120.300 -0.026 0.000 2.562 154 Y HA 0.641 5.191 4.550 -0.000 0.000 0.345 154 Y C -0.228 175.595 175.900 -0.128 0.000 1.045 154 Y CA -1.007 57.047 58.100 -0.076 0.000 1.028 154 Y CB 2.672 41.059 38.460 -0.121 0.000 1.297 154 Y HN 0.358 nan 8.280 nan 0.000 0.463 155 V N 3.708 123.646 119.914 0.039 0.000 2.495 155 V HA 0.491 4.610 4.120 -0.000 0.000 0.298 155 V C -0.418 175.626 176.094 -0.085 0.000 1.031 155 V CA -0.797 61.483 62.300 -0.034 0.000 0.871 155 V CB 1.560 33.369 31.823 -0.024 0.000 0.988 155 V HN 0.545 nan 8.190 nan 0.000 0.432 156 I N 4.654 125.134 120.570 -0.149 0.000 2.377 156 I HA 0.511 4.681 4.170 -0.000 0.000 0.293 156 I C -0.244 175.804 176.117 -0.116 0.000 0.987 156 I CA -0.294 60.865 61.300 -0.234 0.000 1.185 156 I CB 1.459 39.154 38.000 -0.508 0.000 1.341 156 I HN 0.578 nan 8.210 nan 0.000 0.455 157 N N 4.453 123.094 118.700 -0.097 0.000 2.310 157 N HA 0.733 5.473 4.740 -0.000 0.000 0.292 157 N C -0.393 175.108 175.510 -0.015 0.000 1.049 157 N CA -0.275 52.761 53.050 -0.025 0.000 0.849 157 N CB 2.669 41.144 38.487 -0.020 0.000 1.532 157 N HN 0.930 nan 8.380 nan 0.000 0.479 158 G N 0.334 109.156 108.800 0.036 0.000 2.334 158 G HA2 0.036 3.996 3.960 -0.000 0.000 0.315 158 G HA3 0.036 3.996 3.960 -0.000 0.000 0.315 158 G C -1.659 173.292 174.900 0.085 0.000 1.284 158 G CA -0.767 44.356 45.100 0.039 0.000 0.985 158 G HN 0.445 nan 8.290 nan 0.000 0.504 159 S N 0.030 115.765 115.700 0.058 0.000 2.566 159 S HA 0.890 5.360 4.470 -0.000 0.000 0.298 159 S C -0.788 173.849 174.600 0.062 0.000 1.083 159 S CA -0.963 57.260 58.200 0.039 0.000 0.978 159 S CB 2.242 65.446 63.200 0.007 0.000 1.073 159 S HN 0.690 nan 8.310 nan 0.000 0.491 160 K N 1.428 121.855 120.400 0.045 0.000 2.477 160 K HA 0.696 5.015 4.320 -0.000 0.000 0.255 160 K C -0.741 175.895 176.600 0.060 0.000 0.952 160 K CA -0.618 55.715 56.287 0.077 0.000 0.826 160 K CB 2.124 34.689 32.500 0.109 0.000 1.331 160 K HN 0.852 nan 8.250 nan 0.000 0.437 161 S N -1.070 114.701 115.700 0.118 0.000 2.634 161 S HA 0.601 5.071 4.470 -0.000 0.000 0.296 161 S C -0.867 173.870 174.600 0.229 0.000 1.104 161 S CA -0.708 57.551 58.200 0.098 0.000 0.920 161 S CB 0.759 64.054 63.200 0.158 0.000 1.111 161 S HN 0.731 nan 8.310 nan 0.000 0.493 162 W N -0.318 121.042 121.300 0.101 0.000 5.563 162 W HA -0.146 4.514 4.660 -0.000 0.000 0.396 162 W C -0.673 175.925 176.519 0.132 0.000 1.519 162 W CA -0.054 57.362 57.345 0.119 0.000 0.953 162 W CB -1.800 27.736 29.460 0.127 0.000 2.691 162 W HN 0.567 nan 8.180 nan 0.000 1.444 163 I N 1.151 121.861 120.570 0.232 0.000 2.301 163 I HA 0.142 4.312 4.170 -0.000 0.000 0.292 163 I C 1.161 177.398 176.117 0.200 0.000 1.046 163 I CA -0.286 61.159 61.300 0.242 0.000 1.282 163 I CB 0.658 38.814 38.000 0.259 0.000 1.409 163 I HN -0.154 nan 8.210 nan 0.000 0.484 164 T N 4.801 119.471 114.554 0.195 0.000 2.870 164 T HA 0.068 4.418 4.350 -0.000 0.000 0.300 164 T C 0.694 175.466 174.700 0.120 0.000 0.989 164 T CA 0.488 62.662 62.100 0.124 0.000 1.139 164 T CB -0.031 68.889 68.868 0.087 0.000 0.920 164 T HN 0.782 nan 8.240 nan 0.000 0.537 165 H N -0.378 118.683 119.070 -0.016 0.000 3.415 165 H HA -0.155 4.401 4.556 -0.000 0.000 0.213 165 H C 1.142 176.377 175.328 -0.155 0.000 1.091 165 H CA 0.422 56.398 56.048 -0.120 0.000 1.182 165 H CB -1.091 28.538 29.762 -0.222 0.000 1.160 165 H HN 0.896 nan 8.280 nan 0.000 0.319 166 G N -0.034 108.780 108.800 0.023 0.000 2.178 166 G HA2 0.280 4.240 3.960 -0.000 0.000 0.244 166 G HA3 0.280 4.240 3.960 -0.000 0.000 0.244 166 G C 1.249 175.806 174.900 -0.572 0.000 1.213 166 G CA 0.267 45.273 45.100 -0.156 0.000 0.912 166 G HN 1.106 nan 8.290 nan 0.000 0.474 167 G N 1.980 109.966 108.800 -1.357 0.000 2.225 167 G HA2 -0.254 3.705 3.960 -0.000 0.000 0.254 167 G HA3 -0.254 3.705 3.960 -0.000 0.000 0.254 167 G C 1.143 175.748 174.900 -0.490 0.000 0.988 167 G CA 0.787 45.248 45.100 -1.065 0.000 0.625 167 G HN 0.708 nan 8.290 nan 0.000 0.527 168 K N -0.081 120.091 120.400 -0.380 0.000 2.438 168 K HA 0.589 4.909 4.320 -0.000 0.000 0.206 168 K C 1.030 177.400 176.600 -0.384 0.000 1.081 168 K CA 0.658 56.737 56.287 -0.347 0.000 1.053 168 K CB 1.250 33.513 32.500 -0.395 0.000 0.908 168 K HN 0.709 nan 8.250 nan 0.000 0.556 169 A N 1.084 123.644 122.820 -0.433 0.000 2.286 169 A HA 0.251 4.571 4.320 -0.000 0.000 0.286 169 A C 0.193 177.472 177.584 -0.509 0.000 1.097 169 A CA -0.227 51.412 52.037 -0.663 0.000 0.821 169 A CB 0.424 18.829 19.000 -0.991 0.000 1.076 169 A HN 0.047 nan 8.150 nan 0.000 0.490 170 D N -0.779 119.332 120.400 -0.481 0.000 2.234 170 D HA 0.187 4.827 4.640 -0.000 0.000 0.205 170 D C 0.036 176.285 176.300 -0.086 0.000 0.962 170 D CA 1.859 55.738 54.000 -0.201 0.000 0.855 170 D CB -0.035 40.738 40.800 -0.045 0.000 0.951 170 D HN 0.544 nan 8.370 nan 0.000 0.500 171 F N -2.291 117.431 119.950 -0.380 0.000 2.693 171 F HA 0.585 5.112 4.527 -0.000 0.000 0.309 171 F C -1.849 173.641 175.800 -0.517 0.000 1.129 171 F CA -1.586 56.229 58.000 -0.308 0.000 0.948 171 F CB 0.913 39.789 39.000 -0.206 0.000 1.315 171 F HN -0.338 nan 8.300 nan 0.000 0.447 172 Y N -0.106 120.311 120.300 0.194 0.000 2.457 172 Y HA 0.571 5.121 4.550 -0.000 0.000 0.343 172 Y C -0.408 175.569 175.900 0.128 0.000 0.994 172 Y CA -1.143 57.032 58.100 0.124 0.000 1.031 172 Y CB 2.658 41.202 38.460 0.140 0.000 1.246 172 Y HN 0.718 nan 8.280 nan 0.000 0.449 173 T N 4.874 119.558 114.554 0.217 0.000 2.744 173 T HA 0.497 4.846 4.350 -0.000 0.000 0.291 173 T C -1.046 173.584 174.700 -0.117 0.000 0.957 173 T CA -0.343 61.766 62.100 0.015 0.000 1.002 173 T CB 0.361 69.251 68.868 0.037 0.000 0.919 173 T HN 0.380 nan 8.240 nan 0.000 0.468 174 L N 4.068 125.165 121.223 -0.209 0.000 2.362 174 L HA 0.766 5.105 4.340 -0.000 0.000 0.271 174 L C -1.734 174.901 176.870 -0.391 0.000 1.002 174 L CA -0.712 54.039 54.840 -0.149 0.000 0.818 174 L CB 1.175 43.216 42.059 -0.029 0.000 1.298 174 L HN 0.529 nan 8.230 nan 0.000 0.420 175 F N 4.006 123.929 119.950 -0.045 0.000 2.493 175 F HA 0.848 5.375 4.527 -0.000 0.000 0.329 175 F C 0.204 175.990 175.800 -0.022 0.000 1.126 175 F CA -0.300 57.672 58.000 -0.047 0.000 0.937 175 F CB 2.008 40.959 39.000 -0.082 0.000 1.146 175 F HN 0.662 nan 8.300 nan 0.000 0.442 176 A N 1.586 124.496 122.820 0.150 0.000 2.594 176 A HA 0.925 5.244 4.320 -0.000 0.000 0.295 176 A C -0.818 176.809 177.584 0.073 0.000 1.071 176 A CA -0.958 51.121 52.037 0.069 0.000 0.685 176 A CB 1.143 20.127 19.000 -0.027 0.000 1.285 176 A HN 0.894 nan 8.150 nan 0.000 0.405 177 R N 0.545 121.067 120.500 0.038 0.000 2.265 177 R HA 0.689 5.029 4.340 -0.000 0.000 0.314 177 R C 0.355 176.684 176.300 0.048 0.000 1.053 177 R CA 0.383 56.506 56.100 0.038 0.000 0.931 177 R CB -0.466 29.850 30.300 0.027 0.000 1.024 177 R HN 1.562 nan 8.270 nan 0.000 0.457 182 S N 0.557 116.253 115.700 -0.007 0.000 2.363 182 S HA -0.037 4.433 4.470 -0.000 0.000 0.218 182 S C 1.468 176.060 174.600 -0.013 0.000 1.035 182 S CA 1.584 59.776 58.200 -0.014 0.000 1.043 182 S CB -0.281 62.908 63.200 -0.018 0.000 0.986 182 S HN 0.340 nan 8.310 nan 0.000 0.423 183 R N 0.865 121.359 120.500 -0.009 0.000 4.394 183 R HA 0.245 4.585 4.340 -0.000 0.000 0.257 183 R C 0.814 177.114 176.300 -0.001 0.000 1.727 183 R CA 0.289 56.384 56.100 -0.008 0.000 1.497 183 R CB -0.223 30.073 30.300 -0.007 0.000 1.406 183 R HN 0.432 nan 8.270 nan 0.000 0.745 184 G N 0.128 108.930 108.800 0.002 0.000 3.277 184 G HA2 0.167 4.127 3.960 -0.000 0.000 0.243 184 G HA3 0.167 4.127 3.960 -0.000 0.000 0.243 184 G C 0.229 175.138 174.900 0.014 0.000 1.107 184 G CA 0.021 45.128 45.100 0.011 0.000 0.771 184 G HN 0.097 nan 8.290 nan 0.000 0.544 185 V N 0.219 120.138 119.914 0.007 0.000 2.769 185 V HA 0.753 4.873 4.120 -0.000 0.000 0.312 185 V C -0.326 175.751 176.094 -0.028 0.000 1.061 185 V CA -0.714 61.596 62.300 0.016 0.000 0.931 185 V CB 1.816 33.667 31.823 0.046 0.000 1.010 185 V HN 0.077 nan 8.190 nan 0.000 0.433 186 S N 0.727 116.388 115.700 -0.065 0.000 2.570 186 S HA 0.563 5.033 4.470 -0.000 0.000 0.286 186 S C -0.961 173.380 174.600 -0.432 0.000 1.099 186 S CA -0.472 57.562 58.200 -0.277 0.000 0.913 186 S CB 1.946 64.910 63.200 -0.393 0.000 1.085 186 S HN 0.977 nan 8.310 nan 0.000 0.480 187 C N 2.840 121.714 119.300 -0.709 0.000 2.355 187 C HA 0.852 5.312 4.460 -0.000 0.000 0.332 187 C C -1.429 172.921 174.990 -1.066 0.000 1.255 187 C CA -0.641 57.873 59.018 -0.841 0.000 1.792 187 C CB -1.120 26.196 27.740 -0.706 0.000 2.300 187 C HN 0.703 nan 8.230 nan 0.000 0.515 188 F N 4.753 124.434 119.950 -0.449 0.000 2.551 188 F HA 0.554 5.081 4.527 -0.000 0.000 0.316 188 F C -0.216 175.422 175.800 -0.269 0.000 1.089 188 F CA -0.895 56.913 58.000 -0.319 0.000 0.915 188 F CB 1.549 40.373 39.000 -0.294 0.000 1.186 188 F HN 0.373 nan 8.300 nan 0.000 0.456 189 L N 4.334 125.520 121.223 -0.061 0.000 2.270 189 L HA 0.586 4.926 4.340 -0.000 0.000 0.286 189 L C -1.021 175.778 176.870 -0.118 0.000 1.059 189 L CA -0.330 54.419 54.840 -0.152 0.000 0.839 189 L CB 0.311 42.141 42.059 -0.382 0.000 1.221 189 L HN 0.369 nan 8.230 nan 0.000 0.431 190 V N 7.939 127.871 119.914 0.029 0.000 2.394 190 V HA 0.530 4.649 4.120 -0.000 0.000 0.282 190 V C -1.917 174.263 176.094 0.143 0.000 1.031 190 V CA -1.312 61.042 62.300 0.090 0.000 0.881 190 V CB 1.333 33.269 31.823 0.187 0.000 0.982 190 V HN 0.685 nan 8.190 nan 0.000 0.451 191 P HA 0.277 nan 4.420 nan 0.000 0.279 191 P C 0.448 177.869 177.300 0.201 0.000 1.252 191 P CA -0.391 62.770 63.100 0.101 0.000 0.811 191 P CB 1.576 33.298 31.700 0.037 0.000 1.035 192 A N 2.424 125.363 122.820 0.198 0.000 1.948 192 A HA -0.207 4.113 4.320 -0.000 0.000 0.220 192 A C 1.489 179.171 177.584 0.164 0.000 1.177 192 A CA 2.218 54.397 52.037 0.236 0.000 0.636 192 A CB -1.454 17.626 19.000 0.133 0.000 0.815 192 A HN 0.668 nan 8.150 nan 0.000 0.449 193 D N -0.536 119.928 120.400 0.106 0.000 2.324 193 D HA 0.002 4.642 4.640 -0.000 0.000 0.235 193 D C 0.658 176.992 176.300 0.056 0.000 1.095 193 D CA 0.087 54.131 54.000 0.072 0.000 0.871 193 D CB -0.683 40.153 40.800 0.059 0.000 0.906 193 D HN 0.346 nan 8.370 nan 0.000 0.522 194 Q N 1.890 121.728 119.800 0.064 0.000 2.264 194 Q HA 0.098 4.438 4.340 -0.000 0.000 0.296 194 Q C -2.285 173.718 176.000 0.005 0.000 1.103 194 Q CA -0.955 54.871 55.803 0.039 0.000 0.967 194 Q CB 0.446 29.216 28.738 0.054 0.000 1.090 194 Q HN 0.079 nan 8.270 nan 0.000 0.379 195 P HA 0.167 nan 4.420 nan 0.000 0.269 195 P C 0.403 177.688 177.300 -0.025 0.000 1.209 195 P CA 0.796 63.889 63.100 -0.011 0.000 0.776 195 P CB 0.783 32.482 31.700 -0.002 0.000 0.876 196 G N 0.613 109.384 108.800 -0.049 0.000 2.179 196 G HA2 -0.251 3.709 3.960 -0.000 0.000 0.260 196 G HA3 -0.251 3.709 3.960 -0.000 0.000 0.260 196 G C -0.253 174.553 174.900 -0.157 0.000 0.977 196 G CA 0.127 45.187 45.100 -0.067 0.000 0.641 196 G HN 0.619 nan 8.290 nan 0.000 0.533 197 L N 2.361 123.448 121.223 -0.226 0.000 2.264 197 L HA 0.798 5.137 4.340 -0.000 0.000 0.289 197 L C 0.361 176.940 176.870 -0.486 0.000 1.044 197 L CA 0.028 54.570 54.840 -0.496 0.000 0.807 197 L CB 1.566 43.302 42.059 -0.539 0.000 1.192 197 L HN 0.661 nan 8.230 nan 0.000 0.425 198 S N 3.161 118.478 115.700 -0.640 0.000 2.704 198 S HA 0.797 5.266 4.470 -0.000 0.000 0.296 198 S C -0.894 173.236 174.600 -0.784 0.000 1.138 198 S CA -0.702 57.194 58.200 -0.506 0.000 0.875 198 S CB 1.363 64.418 63.200 -0.243 0.000 1.151 198 S HN 0.350 nan 8.310 nan 0.000 0.500 199 F N 0.170 120.006 119.950 -0.189 0.000 2.556 199 F HA 0.678 5.204 4.527 -0.000 0.000 0.314 199 F C 0.987 176.710 175.800 -0.129 0.000 1.106 199 F CA -0.473 57.423 58.000 -0.175 0.000 0.911 199 F CB 1.964 40.870 39.000 -0.157 0.000 1.190 199 F HN 1.001 nan 8.300 nan 0.000 0.448 200 G N 0.823 109.647 108.800 0.040 0.000 2.667 200 G HA2 0.437 4.397 3.960 -0.000 0.000 0.250 200 G HA3 0.437 4.397 3.960 -0.000 0.000 0.250 200 G C -0.172 174.731 174.900 0.005 0.000 1.212 200 G CA -0.423 44.674 45.100 -0.005 0.000 0.874 200 G HN 0.851 nan 8.290 nan 0.000 0.561 201 K N 0.553 120.941 120.400 -0.020 0.000 2.518 201 K HA 0.285 4.605 4.320 -0.000 0.000 0.276 201 K C -1.937 174.637 176.600 -0.042 0.000 0.974 201 K CA -0.509 55.761 56.287 -0.027 0.000 0.986 201 K CB -0.922 31.561 32.500 -0.029 0.000 0.901 201 K HN 0.557 nan 8.250 nan 0.000 0.497 202 P HA 0.071 nan 4.420 nan 0.000 0.266 202 P C -0.474 176.796 177.300 -0.049 0.000 1.195 202 P CA -0.282 62.795 63.100 -0.038 0.000 0.768 202 P CB 0.520 32.214 31.700 -0.009 0.000 0.838 203 E N 2.153 122.307 120.200 -0.077 0.000 2.384 203 E HA 0.013 4.363 4.350 -0.000 0.000 0.266 203 E C -0.181 176.423 176.600 0.007 0.000 1.012 203 E CA 0.158 56.506 56.400 -0.087 0.000 0.901 203 E CB 0.527 30.100 29.700 -0.211 0.000 0.967 203 E HN 0.462 nan 8.360 nan 0.000 0.435 204 E N 2.998 123.207 120.200 0.016 0.000 1.996 204 E HA 0.116 4.466 4.350 -0.000 0.000 0.280 204 E C -0.297 176.368 176.600 0.109 0.000 1.092 204 E CA -0.024 56.404 56.400 0.047 0.000 0.862 204 E CB 0.666 30.376 29.700 0.018 0.000 1.066 204 E HN 0.134 nan 8.360 nan 0.000 0.396 205 K N 2.031 122.545 120.400 0.190 0.000 2.168 205 K HA 0.300 4.620 4.320 -0.000 0.000 0.239 205 K C 0.839 177.592 176.600 0.254 0.000 0.999 205 K CA -0.701 55.719 56.287 0.222 0.000 0.900 205 K CB 1.181 33.822 32.500 0.235 0.000 1.111 205 K HN 0.376 nan 8.250 nan 0.000 0.452 206 M N 0.172 119.866 119.600 0.156 0.000 2.296 206 M HA -0.019 4.460 4.480 -0.000 0.000 0.265 206 M C 0.298 176.636 176.300 0.064 0.000 1.064 206 M CA 1.579 56.947 55.300 0.113 0.000 1.109 206 M CB 0.256 32.886 32.600 0.049 0.000 1.396 206 M HN 0.793 nan 8.290 nan 0.000 0.430 207 G N -0.813 107.935 108.800 -0.087 0.000 2.548 207 G HA2 0.418 4.378 3.960 -0.000 0.000 0.301 207 G HA3 0.418 4.378 3.960 -0.000 0.000 0.301 207 G C -0.991 173.639 174.900 -0.449 0.000 1.349 207 G CA -0.669 44.162 45.100 -0.449 0.000 0.792 207 G HN 0.185 nan 8.290 nan 0.000 0.481 208 L N 0.129 121.129 121.223 -0.371 0.000 3.550 208 L HA -0.144 4.196 4.340 -0.000 0.000 0.523 208 L C 1.067 177.932 176.870 -0.009 0.000 1.312 208 L CA 0.459 55.248 54.840 -0.086 0.000 0.864 208 L CB -1.485 40.586 42.059 0.020 0.000 1.592 208 L HN 0.824 nan 8.230 nan 0.000 0.859 209 H N -1.092 118.076 119.070 0.163 0.000 2.497 209 H HA 0.266 4.822 4.556 -0.000 0.000 0.282 209 H C 1.920 177.349 175.328 0.168 0.000 1.003 209 H CA 1.059 57.195 56.048 0.147 0.000 1.307 209 H CB 0.098 29.938 29.762 0.129 0.000 1.437 209 H HN 0.662 nan 8.280 nan 0.000 0.544 210 A N 1.315 124.329 122.820 0.324 0.000 1.873 210 A HA -0.025 4.295 4.320 -0.000 0.000 0.215 210 A C 1.311 178.996 177.584 0.168 0.000 1.186 210 A CA 0.697 52.898 52.037 0.273 0.000 0.616 210 A CB -0.457 18.750 19.000 0.345 0.000 0.823 210 A HN 0.099 nan 8.150 nan 0.000 0.442 211 V N 2.907 122.866 119.914 0.075 0.000 2.406 211 V HA 0.263 4.383 4.120 -0.000 0.000 0.272 211 V C -2.139 173.981 176.094 0.043 0.000 1.043 211 V CA -1.677 60.632 62.300 0.015 0.000 0.915 211 V CB 0.990 32.683 31.823 -0.217 0.000 0.988 211 V HN 0.352 nan 8.190 nan 0.000 0.466 212 P HA 0.242 nan 4.420 nan 0.000 0.274 212 P C -0.441 176.870 177.300 0.019 0.000 1.231 212 P CA -0.163 62.958 63.100 0.034 0.000 0.790 212 P CB 0.718 32.407 31.700 -0.019 0.000 0.951 213 T N 1.345 115.922 114.554 0.038 0.000 2.792 213 T HA 0.563 4.913 4.350 -0.000 0.000 0.280 213 T C -0.054 174.617 174.700 -0.049 0.000 0.990 213 T CA -0.324 61.802 62.100 0.043 0.000 0.960 213 T CB 0.979 69.926 68.868 0.131 0.000 0.939 213 T HN 0.605 nan 8.240 nan 0.000 0.439 214 T N -0.345 114.191 114.554 -0.030 0.000 2.883 214 T HA 0.765 5.114 4.350 -0.000 0.000 0.296 214 T C -0.096 174.592 174.700 -0.020 0.000 1.117 214 T CA -0.875 61.201 62.100 -0.040 0.000 1.006 214 T CB 1.625 70.512 68.868 0.032 0.000 1.191 214 T HN 0.508 nan 8.240 nan 0.000 0.508 215 S N 0.711 116.381 115.700 -0.050 0.000 2.646 215 S HA 0.831 5.301 4.470 -0.000 0.000 0.276 215 S C 0.033 174.612 174.600 -0.034 0.000 1.222 215 S CA -0.720 57.453 58.200 -0.045 0.000 1.014 215 S CB 0.990 64.130 63.200 -0.099 0.000 0.991 215 S HN 1.417 nan 8.310 nan 0.000 0.533 216 A N 0.150 122.886 122.820 -0.140 0.000 2.356 216 A HA 0.871 5.191 4.320 -0.000 0.000 0.323 216 A C -0.640 176.712 177.584 -0.386 0.000 1.119 216 A CA -0.926 50.844 52.037 -0.445 0.000 0.790 216 A CB 0.886 19.535 19.000 -0.586 0.000 1.273 216 A HN 1.888 nan 8.150 nan 0.000 0.452 217 F N 0.621 120.244 119.950 -0.545 0.000 2.539 217 F HA 0.677 5.204 4.527 -0.000 0.000 0.318 217 F C -1.551 173.973 175.800 -0.460 0.000 1.135 217 F CA -0.991 56.797 58.000 -0.353 0.000 0.915 217 F CB 0.542 39.403 39.000 -0.230 0.000 1.176 217 F HN 0.657 nan 8.300 nan 0.000 0.440 218 Y N 2.236 122.418 120.300 -0.196 0.000 2.342 218 Y HA 0.500 5.050 4.550 -0.000 0.000 0.338 218 Y C -0.293 175.529 175.900 -0.130 0.000 0.965 218 Y CA -0.920 57.072 58.100 -0.179 0.000 1.159 218 Y CB 1.935 40.290 38.460 -0.175 0.000 1.157 218 Y HN 0.724 nan 8.280 nan 0.000 0.486 219 D N 4.080 124.483 120.400 0.005 0.000 2.462 219 D HA 0.192 4.832 4.640 -0.000 0.000 0.249 219 D C -0.434 175.860 176.300 -0.010 0.000 1.117 219 D CA -0.290 53.700 54.000 -0.017 0.000 0.900 219 D CB -0.089 40.682 40.800 -0.050 0.000 1.039 219 D HN 0.508 nan 8.370 nan 0.000 0.516 220 N N 1.922 120.619 118.700 -0.005 0.000 2.714 220 N HA -0.197 4.542 4.740 -0.000 0.000 0.252 220 N C -0.797 174.706 175.510 -0.011 0.000 1.014 220 N CA 0.903 53.946 53.050 -0.012 0.000 0.735 220 N CB -1.014 37.464 38.487 -0.015 0.000 0.924 220 N HN 0.482 nan 8.380 nan 0.000 0.540 221 A N 1.013 123.834 122.820 0.001 0.000 2.350 221 A HA 0.372 4.692 4.320 -0.000 0.000 0.293 221 A C 0.710 178.274 177.584 -0.033 0.000 1.231 221 A CA -0.285 51.758 52.037 0.011 0.000 0.883 221 A CB 0.456 19.526 19.000 0.117 0.000 1.133 221 A HN 0.271 nan 8.150 nan 0.000 0.533 222 R N 1.736 122.223 120.500 -0.022 0.000 2.297 222 R HA 0.639 4.979 4.340 -0.000 0.000 0.308 222 R C -0.911 175.377 176.300 -0.021 0.000 1.029 222 R CA -0.163 55.923 56.100 -0.024 0.000 0.929 222 R CB 1.396 31.690 30.300 -0.010 0.000 1.046 222 R HN 0.743 nan 8.270 nan 0.000 0.461 223 I N 0.734 121.293 120.570 -0.019 0.000 2.619 223 I HA 0.225 4.395 4.170 -0.000 0.000 0.292 223 I C -0.403 175.770 176.117 0.093 0.000 1.100 223 I CA -0.257 61.044 61.300 0.003 0.000 1.043 223 I CB 1.934 39.868 38.000 -0.109 0.000 1.239 223 I HN 0.815 nan 8.210 nan 0.000 0.420 224 D N 4.555 125.022 120.400 0.112 0.000 2.443 224 D HA 0.387 5.027 4.640 -0.000 0.000 0.239 224 D C 1.073 177.513 176.300 0.234 0.000 1.136 224 D CA 0.389 54.476 54.000 0.146 0.000 0.879 224 D CB 1.427 42.313 40.800 0.143 0.000 1.195 224 D HN 0.846 nan 8.370 nan 0.000 0.443 225 A N 0.829 123.783 122.820 0.223 0.000 2.019 225 A HA -0.031 4.289 4.320 -0.000 0.000 0.219 225 A C 1.783 179.512 177.584 0.242 0.000 1.164 225 A CA 2.113 54.327 52.037 0.295 0.000 0.644 225 A CB -0.344 18.763 19.000 0.178 0.000 0.805 225 A HN 0.786 nan 8.150 nan 0.000 0.449 226 D N -0.743 119.779 120.400 0.203 0.000 2.378 226 D HA -0.120 4.520 4.640 -0.000 0.000 0.222 226 D C 1.557 178.045 176.300 0.313 0.000 0.980 226 D CA 0.722 54.848 54.000 0.209 0.000 0.907 226 D CB -0.394 40.505 40.800 0.165 0.000 0.899 226 D HN 0.487 nan 8.370 nan 0.000 0.527 227 R N -0.514 120.155 120.500 0.282 0.000 2.312 227 R HA 0.162 4.501 4.340 -0.000 0.000 0.205 227 R C 0.712 177.093 176.300 0.135 0.000 0.904 227 R CA -0.427 55.795 56.100 0.204 0.000 1.052 227 R CB 0.316 30.686 30.300 0.116 0.000 1.014 227 R HN 0.067 nan 8.270 nan 0.000 0.503 228 R N 2.021 122.584 120.500 0.106 0.000 2.370 228 R HA 0.065 4.405 4.340 -0.000 0.000 0.309 228 R C -0.437 175.737 176.300 -0.209 0.000 1.059 228 R CA -0.023 55.920 56.100 -0.262 0.000 0.981 228 R CB 0.425 30.570 30.300 -0.259 0.000 0.972 228 R HN -0.079 nan 8.270 nan 0.000 0.437 229 I N 5.318 125.690 120.570 -0.330 0.000 2.312 229 I HA 0.305 4.475 4.170 -0.000 0.000 0.291 229 I C 1.118 177.118 176.117 -0.196 0.000 1.031 229 I CA 0.547 61.730 61.300 -0.195 0.000 1.293 229 I CB -0.086 37.800 38.000 -0.189 0.000 1.403 229 I HN 1.004 nan 8.210 nan 0.000 0.484 230 G N 6.681 115.436 108.800 -0.076 0.000 2.782 230 G HA2 -0.179 3.781 3.960 -0.000 0.000 0.228 230 G HA3 -0.179 3.781 3.960 -0.000 0.000 0.228 230 G C -0.314 174.541 174.900 -0.074 0.000 1.372 230 G CA -0.753 44.327 45.100 -0.034 0.000 0.862 230 G HN 0.665 nan 8.290 nan 0.000 0.547 231 E N 0.301 120.479 120.200 -0.037 0.000 2.404 231 E HA 0.275 4.625 4.350 -0.000 0.000 0.261 231 E C 0.614 177.173 176.600 -0.068 0.000 1.074 231 E CA -0.196 56.186 56.400 -0.030 0.000 0.917 231 E CB 0.850 30.551 29.700 0.002 0.000 0.965 231 E HN 0.593 nan 8.360 nan 0.000 0.433 232 E N 0.489 120.669 120.200 -0.034 0.000 2.351 232 E HA 0.050 4.400 4.350 -0.000 0.000 0.266 232 E C 0.499 177.084 176.600 -0.025 0.000 1.031 232 E CA 0.699 57.081 56.400 -0.030 0.000 0.911 232 E CB -0.010 29.726 29.700 0.059 0.000 0.986 232 E HN 0.757 nan 8.360 nan 0.000 0.446 233 G N 4.082 112.853 108.800 -0.049 0.000 2.195 233 G HA2 -0.315 3.645 3.960 -0.000 0.000 0.224 233 G HA3 -0.315 3.645 3.960 -0.000 0.000 0.224 233 G C 0.795 175.668 174.900 -0.045 0.000 0.990 233 G CA 0.340 45.421 45.100 -0.032 0.000 0.639 233 G HN 0.607 nan 8.290 nan 0.000 0.514 234 Q N 0.625 120.380 119.800 -0.076 0.000 2.444 234 Q HA 0.288 4.627 4.340 -0.000 0.000 0.206 234 Q C 2.485 178.411 176.000 -0.123 0.000 0.948 234 Q CA 1.125 56.873 55.803 -0.093 0.000 0.946 234 Q CB -0.470 28.207 28.738 -0.101 0.000 1.027 234 Q HN 0.590 nan 8.270 nan 0.000 0.513 235 G N 1.174 109.925 108.800 -0.082 0.000 2.491 235 G HA2 -0.295 3.665 3.960 -0.000 0.000 0.218 235 G HA3 -0.295 3.665 3.960 -0.000 0.000 0.218 235 G C 1.174 176.113 174.900 0.064 0.000 1.180 235 G CA 0.715 45.825 45.100 0.017 0.000 0.774 235 G HN 0.359 nan 8.290 nan 0.000 0.562 236 L N 0.225 121.453 121.223 0.008 0.000 2.093 236 L HA 0.016 4.355 4.340 -0.000 0.000 0.208 236 L C 2.922 179.805 176.870 0.022 0.000 1.085 236 L CA 2.034 56.871 54.840 -0.005 0.000 0.755 236 L CB -0.468 41.582 42.059 -0.015 0.000 0.904 236 L HN 0.405 nan 8.230 nan 0.000 0.435 237 Q N -0.456 119.343 119.800 -0.002 0.000 2.084 237 Q HA -0.221 4.119 4.340 -0.000 0.000 0.202 237 Q C 2.297 178.321 176.000 0.039 0.000 0.978 237 Q CA 1.962 57.785 55.803 0.033 0.000 0.844 237 Q CB -0.135 28.612 28.738 0.014 0.000 0.898 237 Q HN 0.553 nan 8.270 nan 0.000 0.426 238 I N 0.908 121.379 120.570 -0.166 0.000 2.127 238 I HA -0.290 3.880 4.170 -0.000 0.000 0.241 238 I C 2.516 178.725 176.117 0.153 0.000 1.075 238 I CA 1.318 62.454 61.300 -0.274 0.000 1.334 238 I CB -0.447 37.308 38.000 -0.409 0.000 1.040 238 I HN 0.250 nan 8.210 nan 0.000 0.405 239 A N 0.141 123.033 122.820 0.120 0.000 1.933 239 A HA -0.250 4.069 4.320 -0.000 0.000 0.218 239 A C 2.276 179.874 177.584 0.023 0.000 1.175 239 A CA 1.478 53.470 52.037 -0.075 0.000 0.628 239 A CB -1.025 17.600 19.000 -0.625 0.000 0.814 239 A HN 0.487 nan 8.150 nan 0.000 0.444 240 F N 1.746 121.671 119.950 -0.041 0.000 2.186 240 F HA -0.161 4.366 4.527 -0.000 0.000 0.299 240 F C 2.644 178.459 175.800 0.025 0.000 1.090 240 F CA 1.829 59.817 58.000 -0.021 0.000 1.307 240 F CB -0.127 38.861 39.000 -0.020 0.000 1.019 240 F HN 0.317 nan 8.300 nan 0.000 0.489 241 S N 0.122 115.989 115.700 0.278 0.000 2.469 241 S HA -0.081 4.389 4.470 -0.000 0.000 0.238 241 S C 1.791 176.412 174.600 0.035 0.000 0.998 241 S CA 0.732 59.096 58.200 0.273 0.000 0.957 241 S CB -0.724 62.816 63.200 0.567 0.000 0.764 241 S HN 0.387 nan 8.310 nan 0.000 0.514 242 A N 0.515 123.278 122.820 -0.096 0.000 2.348 242 A HA 0.533 4.853 4.320 -0.000 0.000 0.224 242 A C 1.874 179.295 177.584 -0.272 0.000 1.227 242 A CA -0.230 51.616 52.037 -0.318 0.000 0.885 242 A CB -0.382 18.451 19.000 -0.278 0.000 0.933 242 A HN 0.491 nan 8.150 nan 0.000 0.506 243 L N -0.247 120.792 121.223 -0.308 0.000 1.989 243 L HA -0.219 4.120 4.340 -0.000 0.000 0.211 243 L C 2.008 178.733 176.870 -0.242 0.000 1.071 243 L CA 1.680 56.333 54.840 -0.312 0.000 0.749 243 L CB -0.613 41.163 42.059 -0.472 0.000 0.890 243 L HN 0.313 nan 8.230 nan 0.000 0.431 244 D N -0.337 119.902 120.400 -0.268 0.000 2.104 244 D HA -0.161 4.479 4.640 -0.000 0.000 0.194 244 D C 2.364 178.668 176.300 0.007 0.000 0.994 244 D CA 1.589 55.475 54.000 -0.191 0.000 0.830 244 D CB -0.193 40.348 40.800 -0.431 0.000 0.959 244 D HN 0.184 nan 8.370 nan 0.000 0.452 245 S N 0.208 115.914 115.700 0.010 0.000 2.368 245 S HA -0.084 4.386 4.470 -0.000 0.000 0.225 245 S C 2.106 176.750 174.600 0.074 0.000 1.030 245 S CA 1.195 59.453 58.200 0.097 0.000 0.999 245 S CB -0.588 62.635 63.200 0.037 0.000 0.844 245 S HN 0.425 nan 8.310 nan 0.000 0.459 246 G N 1.776 110.540 108.800 -0.060 0.000 2.459 246 G HA2 -0.225 3.735 3.960 -0.000 0.000 0.217 246 G HA3 -0.225 3.735 3.960 -0.000 0.000 0.217 246 G C 1.462 176.327 174.900 -0.059 0.000 1.183 246 G CA 0.636 45.678 45.100 -0.097 0.000 0.776 246 G HN 0.406 nan 8.290 nan 0.000 0.552 247 R N -0.184 120.288 120.500 -0.047 0.000 2.091 247 R HA 0.049 4.389 4.340 -0.000 0.000 0.238 247 R C 2.637 178.945 176.300 0.014 0.000 1.136 247 R CA 0.956 57.044 56.100 -0.019 0.000 0.959 247 R CB -0.474 29.811 30.300 -0.025 0.000 0.856 247 R HN 0.315 nan 8.270 nan 0.000 0.437 248 L N -0.429 120.832 121.223 0.063 0.000 2.046 248 L HA -0.133 4.207 4.340 -0.000 0.000 0.208 248 L C 2.547 179.397 176.870 -0.032 0.000 1.077 248 L CA 1.513 56.403 54.840 0.084 0.000 0.747 248 L CB -0.992 41.209 42.059 0.238 0.000 0.896 248 L HN 0.423 nan 8.230 nan 0.000 0.432 249 G N 0.546 109.339 108.800 -0.012 0.000 2.514 249 G HA2 -0.277 3.683 3.960 -0.000 0.000 0.217 249 G HA3 -0.277 3.683 3.960 -0.000 0.000 0.217 249 G C 1.439 176.257 174.900 -0.136 0.000 1.198 249 G CA 0.674 45.713 45.100 -0.102 0.000 0.780 249 G HN 0.154 nan 8.290 nan 0.000 0.565 250 I N 2.092 122.615 120.570 -0.079 0.000 2.226 250 I HA -0.098 4.072 4.170 -0.000 0.000 0.245 250 I C 3.305 179.397 176.117 -0.042 0.000 1.100 250 I CA 0.824 62.106 61.300 -0.029 0.000 1.374 250 I CB -1.439 36.581 38.000 0.034 0.000 1.057 250 I HN 0.267 nan 8.210 nan 0.000 0.413 251 A N 0.935 123.720 122.820 -0.057 0.000 1.927 251 A HA -0.238 4.082 4.320 -0.000 0.000 0.220 251 A C 2.525 179.999 177.584 -0.184 0.000 1.185 251 A CA 2.566 54.568 52.037 -0.058 0.000 0.639 251 A CB -0.850 18.150 19.000 -0.001 0.000 0.820 251 A HN 0.440 nan 8.150 nan 0.000 0.451 252 A N -1.100 121.464 122.820 -0.427 0.000 1.930 252 A HA 0.168 4.487 4.320 -0.000 0.000 0.215 252 A C 2.191 179.607 177.584 -0.280 0.000 1.176 252 A CA 1.374 53.019 52.037 -0.654 0.000 0.632 252 A CB -0.678 17.802 19.000 -0.866 0.000 0.819 252 A HN 0.372 nan 8.150 nan 0.000 0.445 253 V N 0.041 119.842 119.914 -0.188 0.000 2.343 253 V HA -0.240 3.879 4.120 -0.000 0.000 0.247 253 V C 3.045 179.109 176.094 -0.050 0.000 1.051 253 V CA 1.920 64.164 62.300 -0.093 0.000 1.036 253 V CB -1.178 30.619 31.823 -0.043 0.000 0.654 253 V HN 0.585 nan 8.190 nan 0.000 0.451 254 A N -0.121 122.682 122.820 -0.029 0.000 1.902 254 A HA -0.212 4.108 4.320 -0.000 0.000 0.217 254 A C 2.396 179.974 177.584 -0.009 0.000 1.181 254 A CA 2.408 54.439 52.037 -0.010 0.000 0.623 254 A CB -0.981 18.026 19.000 0.011 0.000 0.818 254 A HN 0.510 nan 8.150 nan 0.000 0.443 255 T N -0.143 114.420 114.554 0.015 0.000 2.720 255 T HA -0.079 4.271 4.350 -0.000 0.000 0.268 255 T C 1.937 176.647 174.700 0.018 0.000 1.037 255 T CA 1.501 63.637 62.100 0.061 0.000 1.144 255 T CB -0.626 68.369 68.868 0.211 0.000 0.864 255 T HN 0.583 nan 8.240 nan 0.000 0.444 256 G N 1.146 109.936 108.800 -0.016 0.000 2.408 256 G HA2 -0.099 3.861 3.960 -0.000 0.000 0.217 256 G HA3 -0.099 3.861 3.960 -0.000 0.000 0.217 256 G C 1.522 176.358 174.900 -0.106 0.000 1.150 256 G CA 0.668 45.741 45.100 -0.045 0.000 0.776 256 G HN 0.449 nan 8.290 nan 0.000 0.542 257 L N 1.099 122.243 121.223 -0.131 0.000 2.109 257 L HA 0.283 4.623 4.340 -0.000 0.000 0.207 257 L C 3.000 179.731 176.870 -0.232 0.000 1.086 257 L CA 1.981 56.670 54.840 -0.252 0.000 0.760 257 L CB -0.513 41.434 42.059 -0.187 0.000 0.910 257 L HN 0.195 nan 8.230 nan 0.000 0.437 258 A N -0.690 122.067 122.820 -0.106 0.000 1.908 258 A HA -0.292 4.028 4.320 -0.000 0.000 0.218 258 A C 2.280 179.835 177.584 -0.048 0.000 1.181 258 A CA 1.834 53.838 52.037 -0.055 0.000 0.627 258 A CB -0.788 18.205 19.000 -0.011 0.000 0.818 258 A HN 0.591 nan 8.150 nan 0.000 0.445 259 Q N -0.072 119.700 119.800 -0.046 0.000 2.096 259 Q HA -0.077 4.262 4.340 -0.000 0.000 0.204 259 Q C 2.025 178.004 176.000 -0.034 0.000 0.982 259 Q CA 2.306 58.094 55.803 -0.024 0.000 0.850 259 Q CB -0.621 28.110 28.738 -0.012 0.000 0.901 259 Q HN 0.564 nan 8.270 nan 0.000 0.422 260 A N 0.158 122.908 122.820 -0.117 0.000 1.902 260 A HA -0.038 4.281 4.320 -0.000 0.000 0.217 260 A C 2.282 179.873 177.584 0.012 0.000 1.181 260 A CA 1.862 53.825 52.037 -0.123 0.000 0.623 260 A CB -1.146 17.610 19.000 -0.407 0.000 0.818 260 A HN 0.533 nan 8.150 nan 0.000 0.443 261 A N -0.665 122.131 122.820 -0.041 0.000 1.969 261 A HA 0.047 4.367 4.320 -0.000 0.000 0.218 261 A C 2.107 179.787 177.584 0.160 0.000 1.169 261 A CA 1.597 53.742 52.037 0.180 0.000 0.635 261 A CB -0.507 18.584 19.000 0.152 0.000 0.810 261 A HN 0.721 nan 8.150 nan 0.000 0.445 262 L N -0.116 121.163 121.223 0.093 0.000 2.056 262 L HA -0.102 4.237 4.340 -0.000 0.000 0.207 262 L C 1.565 178.502 176.870 0.111 0.000 1.078 262 L CA 2.382 57.278 54.840 0.093 0.000 0.749 262 L CB -0.580 41.513 42.059 0.057 0.000 0.901 262 L HN 0.278 nan 8.230 nan 0.000 0.433 263 D N -0.215 120.248 120.400 0.105 0.000 2.117 263 D HA -0.178 4.462 4.640 -0.000 0.000 0.197 263 D C 2.050 178.447 176.300 0.162 0.000 0.987 263 D CA 1.262 55.329 54.000 0.112 0.000 0.829 263 D CB -0.074 40.783 40.800 0.095 0.000 0.961 263 D HN 0.442 nan 8.370 nan 0.000 0.460 264 E N 0.862 121.199 120.200 0.229 0.000 2.049 264 E HA -0.201 4.149 4.350 -0.000 0.000 0.198 264 E C 2.113 178.930 176.600 0.360 0.000 1.007 264 E CA 1.227 57.830 56.400 0.338 0.000 0.809 264 E CB -0.312 29.611 29.700 0.372 0.000 0.749 264 E HN 0.247 nan 8.360 nan 0.000 0.450 265 A N 1.127 124.140 122.820 0.321 0.000 1.873 265 A HA -0.115 4.205 4.320 -0.000 0.000 0.215 265 A C 2.671 180.296 177.584 0.069 0.000 1.186 265 A CA 1.423 53.574 52.037 0.191 0.000 0.616 265 A CB -0.753 18.365 19.000 0.197 0.000 0.823 265 A HN 0.125 nan 8.150 nan 0.000 0.442 266 V N 0.016 119.982 119.914 0.087 0.000 2.287 266 V HA -0.299 3.821 4.120 -0.000 0.000 0.248 266 V C 3.071 179.185 176.094 0.033 0.000 1.053 266 V CA 2.108 64.439 62.300 0.052 0.000 1.027 266 V CB -1.258 30.599 31.823 0.055 0.000 0.646 266 V HN 0.628 nan 8.190 nan 0.000 0.447 267 A N -1.167 121.690 122.820 0.063 0.000 1.877 267 A HA -0.279 4.041 4.320 -0.000 0.000 0.216 267 A C 2.166 179.751 177.584 0.002 0.000 1.186 267 A CA 2.171 54.240 52.037 0.053 0.000 0.620 267 A CB -0.805 18.261 19.000 0.110 0.000 0.822 267 A HN 0.624 nan 8.150 nan 0.000 0.443 268 Y N 0.469 120.647 120.300 -0.203 0.000 2.200 268 Y HA -0.039 4.511 4.550 -0.000 0.000 0.290 268 Y C 2.616 178.342 175.900 -0.289 0.000 1.137 268 Y CA 1.159 59.019 58.100 -0.399 0.000 1.163 268 Y CB -0.394 37.390 38.460 -1.127 0.000 0.988 268 Y HN 0.300 nan 8.280 nan 0.000 0.518 269 A N -0.182 122.548 122.820 -0.150 0.000 2.067 269 A HA -0.182 4.138 4.320 -0.000 0.000 0.219 269 A C 1.747 179.252 177.584 -0.132 0.000 1.158 269 A CA 1.723 53.684 52.037 -0.127 0.000 0.661 269 A CB -0.813 18.170 19.000 -0.029 0.000 0.801 269 A HN 0.664 nan 8.150 nan 0.000 0.452 270 N N -1.329 117.299 118.700 -0.120 0.000 2.467 270 N HA 0.205 4.945 4.740 -0.000 0.000 0.184 270 N C 1.543 176.976 175.510 -0.129 0.000 1.106 270 N CA 0.915 53.907 53.050 -0.096 0.000 0.892 270 N CB 0.156 38.611 38.487 -0.053 0.000 0.969 270 N HN 0.664 nan 8.380 nan 0.000 0.454 271 E N 0.725 120.796 120.200 -0.216 0.000 2.279 271 E HA 0.186 4.536 4.350 -0.000 0.000 0.199 271 E C 0.875 177.309 176.600 -0.278 0.000 0.893 271 E CA -0.124 56.143 56.400 -0.221 0.000 0.978 271 E CB -0.163 29.406 29.700 -0.218 0.000 0.964 271 E HN 0.063 nan 8.360 nan 0.000 0.486 272 R N 2.102 122.311 120.500 -0.485 0.000 2.570 272 R HA 0.312 4.652 4.340 -0.000 0.000 0.277 272 R C 0.056 176.235 176.300 -0.202 0.000 1.039 272 R CA 0.986 56.822 56.100 -0.440 0.000 1.065 272 R CB 0.289 30.115 30.300 -0.789 0.000 0.964 272 R HN 0.434 nan 8.270 nan 0.000 0.428 273 T N 0.891 115.378 114.554 -0.111 0.000 2.912 273 T HA 0.857 5.207 4.350 -0.000 0.000 0.288 273 T C -0.829 173.887 174.700 0.027 0.000 1.030 273 T CA -0.457 61.626 62.100 -0.029 0.000 1.020 273 T CB 1.850 70.699 68.868 -0.033 0.000 1.056 273 T HN 0.689 nan 8.240 nan 0.000 0.480 274 A N 1.476 124.381 122.820 0.142 0.000 2.547 274 A HA 0.700 5.020 4.320 -0.000 0.000 0.297 274 A C -0.388 177.425 177.584 0.380 0.000 1.056 274 A CA -0.988 51.145 52.037 0.161 0.000 0.688 274 A CB 0.263 19.386 19.000 0.204 0.000 1.282 274 A HN 1.177 nan 8.150 nan 0.000 0.400 275 F N 0.557 120.559 119.950 0.086 0.000 3.090 275 F HA -0.182 4.345 4.527 -0.000 0.000 0.282 275 F C 1.626 177.470 175.800 0.074 0.000 0.923 275 F CA 1.808 59.860 58.000 0.087 0.000 0.977 275 F CB -1.313 37.759 39.000 0.119 0.000 0.954 275 F HN 2.177 nan 8.300 nan 0.000 0.695 276 G N 0.441 109.313 108.800 0.119 0.000 2.160 276 G HA2 -0.283 3.677 3.960 -0.000 0.000 0.251 276 G HA3 -0.283 3.677 3.960 -0.000 0.000 0.251 276 G C 0.137 175.057 174.900 0.033 0.000 1.008 276 G CA 0.366 45.502 45.100 0.061 0.000 0.724 276 G HN 1.039 nan 8.290 nan 0.000 0.514 277 R N -1.767 118.754 120.500 0.035 0.000 2.680 277 R HA 0.672 5.012 4.340 -0.000 0.000 0.269 277 R C -0.343 175.919 176.300 -0.063 0.000 1.026 277 R CA -1.204 54.856 56.100 -0.066 0.000 0.889 277 R CB 1.160 31.343 30.300 -0.196 0.000 1.241 277 R HN 0.048 nan 8.270 nan 0.000 0.463 278 K N 1.811 122.159 120.400 -0.087 0.000 2.511 278 K HA -0.017 4.303 4.320 -0.000 0.000 0.280 278 K C 1.352 177.911 176.600 -0.069 0.000 1.008 278 K CA 0.358 56.597 56.287 -0.079 0.000 1.050 278 K CB 0.411 32.860 32.500 -0.085 0.000 0.889 278 K HN 0.654 nan 8.250 nan 0.000 0.484 279 I N 1.350 121.924 120.570 0.007 0.000 2.454 279 I HA -0.188 3.982 4.170 -0.000 0.000 0.254 279 I C 1.829 178.000 176.117 0.089 0.000 1.156 279 I CA 1.159 62.552 61.300 0.154 0.000 1.433 279 I CB -0.256 37.827 38.000 0.138 0.000 1.082 279 I HN 0.649 nan 8.210 nan 0.000 0.432 280 I N 1.847 122.420 120.570 0.005 0.000 2.454 280 I HA -0.265 3.904 4.170 -0.000 0.000 0.254 280 I C 1.545 177.653 176.117 -0.014 0.000 1.156 280 I CA 1.572 62.876 61.300 0.006 0.000 1.433 280 I CB -0.280 37.715 38.000 -0.009 0.000 1.082 280 I HN 0.264 nan 8.210 nan 0.000 0.432 281 D N -0.410 119.940 120.400 -0.084 0.000 2.347 281 D HA -0.043 4.597 4.640 -0.000 0.000 0.213 281 D C 0.387 176.569 176.300 -0.198 0.000 0.985 281 D CA 0.469 54.385 54.000 -0.139 0.000 0.879 281 D CB -0.160 40.538 40.800 -0.170 0.000 0.919 281 D HN 0.430 nan 8.370 nan 0.000 0.526 282 H N 1.741 120.790 119.070 -0.035 0.000 3.017 282 H HA 0.026 4.581 4.556 -0.000 0.000 0.276 282 H C 1.337 176.606 175.328 -0.098 0.000 1.062 282 H CA 0.139 56.146 56.048 -0.068 0.000 1.486 282 H CB 1.130 30.855 29.762 -0.061 0.000 1.507 282 H HN 0.193 nan 8.280 nan 0.000 0.508 283 Q N 3.352 123.114 119.800 -0.064 0.000 2.077 283 Q HA -0.160 4.180 4.340 -0.000 0.000 0.206 283 Q C 2.129 177.908 176.000 -0.370 0.000 0.989 283 Q CA 1.726 57.398 55.803 -0.218 0.000 0.853 283 Q CB -0.150 28.406 28.738 -0.304 0.000 0.907 283 Q HN 0.945 nan 8.270 nan 0.000 0.418 284 G N 1.049 109.674 108.800 -0.292 0.000 2.476 284 G HA2 -0.305 3.655 3.960 -0.000 0.000 0.218 284 G HA3 -0.305 3.655 3.960 -0.000 0.000 0.218 284 G C 1.318 176.193 174.900 -0.043 0.000 1.164 284 G CA 1.048 46.020 45.100 -0.213 0.000 0.768 284 G HN 0.384 nan 8.290 nan 0.000 0.560 285 L N 1.189 122.416 121.223 0.007 0.000 2.093 285 L HA 0.187 4.527 4.340 -0.000 0.000 0.208 285 L C 2.913 179.843 176.870 0.100 0.000 1.085 285 L CA 1.974 56.851 54.840 0.062 0.000 0.755 285 L CB -0.690 41.416 42.059 0.078 0.000 0.904 285 L HN 0.193 nan 8.230 nan 0.000 0.435 286 G N -1.050 107.814 108.800 0.107 0.000 2.440 286 G HA2 -0.291 3.668 3.960 -0.000 0.000 0.218 286 G HA3 -0.291 3.668 3.960 -0.000 0.000 0.218 286 G C 1.375 176.465 174.900 0.316 0.000 1.154 286 G CA 0.788 45.993 45.100 0.175 0.000 0.767 286 G HN 0.328 nan 8.290 nan 0.000 0.552 287 F N 0.253 120.214 119.950 0.017 0.000 2.134 287 F HA 0.058 4.585 4.527 -0.000 0.000 0.299 287 F C 2.472 178.282 175.800 0.016 0.000 1.097 287 F CA 0.162 58.170 58.000 0.014 0.000 1.264 287 F CB -1.142 37.864 39.000 0.010 0.000 1.001 287 F HN 0.081 nan 8.300 nan 0.000 0.479 288 L N 0.147 121.501 121.223 0.217 0.000 1.990 288 L HA -0.228 4.112 4.340 -0.000 0.000 0.213 288 L C 2.277 179.204 176.870 0.096 0.000 1.072 288 L CA 1.752 56.667 54.840 0.125 0.000 0.755 288 L CB -1.038 41.080 42.059 0.098 0.000 0.889 288 L HN 0.088 nan 8.230 nan 0.000 0.432 289 L N -0.930 120.353 121.223 0.099 0.000 2.079 289 L HA -0.248 4.092 4.340 -0.000 0.000 0.210 289 L C 2.633 179.536 176.870 0.056 0.000 1.081 289 L CA 1.296 56.182 54.840 0.076 0.000 0.752 289 L CB -0.908 41.196 42.059 0.074 0.000 0.896 289 L HN 0.412 nan 8.230 nan 0.000 0.433 290 A N -0.254 122.599 122.820 0.055 0.000 1.902 290 A HA -0.237 4.083 4.320 -0.000 0.000 0.217 290 A C 1.956 179.531 177.584 -0.015 0.000 1.181 290 A CA 2.002 54.041 52.037 0.003 0.000 0.623 290 A CB -0.522 18.448 19.000 -0.050 0.000 0.818 290 A HN 0.355 nan 8.150 nan 0.000 0.443 291 D N -0.265 120.133 120.400 -0.004 0.000 2.117 291 D HA -0.154 4.486 4.640 -0.000 0.000 0.197 291 D C 2.039 178.346 176.300 0.011 0.000 0.987 291 D CA 1.560 55.558 54.000 -0.003 0.000 0.829 291 D CB -0.395 40.413 40.800 0.013 0.000 0.961 291 D HN 0.527 nan 8.370 nan 0.000 0.460 292 M N 0.582 120.198 119.600 0.027 0.000 2.080 292 M HA -0.169 4.311 4.480 -0.000 0.000 0.260 292 M C 2.335 178.648 176.300 0.022 0.000 1.068 292 M CA 1.780 57.099 55.300 0.031 0.000 1.109 292 M CB -0.252 32.376 32.600 0.048 0.000 1.342 292 M HN -0.026 nan 8.290 nan 0.000 0.405 293 A N 0.168 122.998 122.820 0.018 0.000 1.930 293 A HA 0.052 4.372 4.320 -0.000 0.000 0.217 293 A C 2.386 179.970 177.584 -0.001 0.000 1.175 293 A CA 1.686 53.729 52.037 0.011 0.000 0.627 293 A CB -0.881 18.125 19.000 0.010 0.000 0.815 293 A HN 0.493 nan 8.150 nan 0.000 0.443 294 A N -0.100 122.715 122.820 -0.008 0.000 1.930 294 A HA 0.201 4.521 4.320 -0.000 0.000 0.217 294 A C 2.463 180.041 177.584 -0.009 0.000 1.175 294 A CA 1.898 53.926 52.037 -0.016 0.000 0.627 294 A CB -0.883 18.101 19.000 -0.026 0.000 0.815 294 A HN 0.974 nan 8.150 nan 0.000 0.443 295 A N -0.542 122.278 122.820 -0.001 0.000 1.898 295 A HA 0.038 4.357 4.320 -0.000 0.000 0.216 295 A C 2.199 179.787 177.584 0.008 0.000 1.181 295 A CA 1.652 53.692 52.037 0.005 0.000 0.620 295 A CB -0.860 18.147 19.000 0.011 0.000 0.819 295 A HN 0.365 nan 8.150 nan 0.000 0.442 296 V N -0.148 119.771 119.914 0.009 0.000 2.343 296 V HA -0.251 3.869 4.120 -0.000 0.000 0.247 296 V C 3.011 179.105 176.094 0.000 0.000 1.051 296 V CA 2.007 64.313 62.300 0.011 0.000 1.036 296 V CB -1.146 30.685 31.823 0.012 0.000 0.654 296 V HN 0.608 nan 8.190 nan 0.000 0.451 297 A N -0.680 122.133 122.820 -0.011 0.000 1.929 297 A HA -0.162 4.158 4.320 -0.000 0.000 0.216 297 A C 2.385 179.945 177.584 -0.040 0.000 1.176 297 A CA 2.118 54.138 52.037 -0.029 0.000 0.628 297 A CB -0.835 18.149 19.000 -0.027 0.000 0.816 297 A HN 0.474 nan 8.150 nan 0.000 0.444 298 T N 0.360 114.899 114.554 -0.025 0.000 2.746 298 T HA -0.048 4.302 4.350 -0.000 0.000 0.267 298 T C 2.206 176.895 174.700 -0.019 0.000 1.039 298 T CA 1.589 63.675 62.100 -0.023 0.000 1.142 298 T CB -0.389 68.472 68.868 -0.011 0.000 0.866 298 T HN 0.575 nan 8.240 nan 0.000 0.444 299 A N 1.387 124.208 122.820 0.003 0.000 1.933 299 A HA -0.078 4.242 4.320 -0.000 0.000 0.218 299 A C 2.285 179.875 177.584 0.011 0.000 1.175 299 A CA 1.680 53.741 52.037 0.040 0.000 0.628 299 A CB -0.517 18.525 19.000 0.070 0.000 0.814 299 A HN 0.414 nan 8.150 nan 0.000 0.444 300 R N -0.471 119.983 120.500 -0.078 0.000 2.066 300 R HA -0.041 4.299 4.340 -0.000 0.000 0.232 300 R C 2.346 178.355 176.300 -0.485 0.000 1.131 300 R CA 1.309 57.205 56.100 -0.339 0.000 0.955 300 R CB -0.423 29.750 30.300 -0.211 0.000 0.851 300 R HN 0.415 nan 8.270 nan 0.000 0.432 301 A N 0.097 122.774 122.820 -0.239 0.000 1.917 301 A HA -0.191 4.129 4.320 -0.000 0.000 0.219 301 A C 2.156 179.652 177.584 -0.146 0.000 1.182 301 A CA 2.252 54.182 52.037 -0.179 0.000 0.633 301 A CB -0.985 17.957 19.000 -0.096 0.000 0.819 301 A HN 0.474 nan 8.150 nan 0.000 0.448 302 T N -0.829 113.671 114.554 -0.090 0.000 2.737 302 T HA -0.131 4.219 4.350 -0.000 0.000 0.265 302 T C 1.825 176.552 174.700 0.046 0.000 1.038 302 T CA 1.688 63.784 62.100 -0.008 0.000 1.144 302 T CB -0.521 68.366 68.868 0.031 0.000 0.866 302 T HN 0.826 nan 8.240 nan 0.000 0.434 303 Y N 1.526 121.840 120.300 0.024 0.000 2.293 303 Y HA 0.147 4.697 4.550 -0.000 0.000 0.291 303 Y C 1.828 177.750 175.900 0.038 0.000 1.137 303 Y CA 0.508 58.630 58.100 0.035 0.000 1.202 303 Y CB -1.064 37.412 38.460 0.027 0.000 0.990 303 Y HN 0.120 nan 8.280 nan 0.000 0.537 304 L N 0.658 121.773 121.223 -0.179 0.000 2.156 304 L HA -0.141 4.199 4.340 -0.000 0.000 0.208 304 L C 2.527 179.400 176.870 0.005 0.000 1.095 304 L CA 1.595 56.392 54.840 -0.072 0.000 0.770 304 L CB -0.645 41.284 42.059 -0.217 0.000 0.914 304 L HN 0.354 nan 8.230 nan 0.000 0.439 305 D N 0.626 121.021 120.400 -0.009 0.000 2.097 305 D HA -0.207 4.433 4.640 -0.000 0.000 0.195 305 D C 2.104 178.435 176.300 0.051 0.000 0.989 305 D CA 1.513 55.523 54.000 0.016 0.000 0.827 305 D CB 0.369 41.174 40.800 0.010 0.000 0.966 305 D HN 0.280 nan 8.370 nan 0.000 0.456 306 A N 1.254 124.129 122.820 0.091 0.000 1.883 306 A HA -0.069 4.251 4.320 -0.000 0.000 0.217 306 A C 2.510 180.119 177.584 0.042 0.000 1.186 306 A CA 2.570 54.683 52.037 0.126 0.000 0.624 306 A CB -0.990 18.129 19.000 0.199 0.000 0.822 306 A HN 0.364 nan 8.150 nan 0.000 0.444 307 A N -0.534 122.336 122.820 0.083 0.000 1.917 307 A HA -0.228 4.091 4.320 -0.000 0.000 0.219 307 A C 2.253 179.824 177.584 -0.022 0.000 1.182 307 A CA 1.992 54.064 52.037 0.058 0.000 0.633 307 A CB -0.470 18.653 19.000 0.206 0.000 0.819 307 A HN 0.536 nan 8.150 nan 0.000 0.448 308 R N -0.825 119.679 120.500 0.006 0.000 2.148 308 R HA -0.029 4.311 4.340 -0.000 0.000 0.223 308 R C 2.402 178.684 176.300 -0.031 0.000 1.088 308 R CA 1.147 57.245 56.100 -0.003 0.000 0.985 308 R CB -0.131 30.174 30.300 0.009 0.000 0.880 308 R HN 0.566 nan 8.270 nan 0.000 0.451 309 R N -0.526 119.951 120.500 -0.038 0.000 2.066 309 R HA -0.107 4.233 4.340 -0.000 0.000 0.232 309 R C 2.352 178.574 176.300 -0.131 0.000 1.131 309 R CA 1.604 57.684 56.100 -0.032 0.000 0.955 309 R CB -0.311 30.021 30.300 0.054 0.000 0.851 309 R HN 0.130 nan 8.270 nan 0.000 0.432 310 R N 1.107 121.375 120.500 -0.386 0.000 2.105 310 R HA -0.156 4.184 4.340 -0.000 0.000 0.239 310 R C 1.127 177.249 176.300 -0.298 0.000 1.135 310 R CA 2.009 57.722 56.100 -0.645 0.000 0.967 310 R CB -0.123 29.424 30.300 -1.256 0.000 0.861 310 R HN 0.136 nan 8.270 nan 0.000 0.442 311 D N 0.394 120.688 120.400 -0.178 0.000 2.219 311 D HA -0.137 4.503 4.640 -0.000 0.000 0.205 311 D C 1.181 177.454 176.300 -0.045 0.000 0.970 311 D CA 1.119 55.075 54.000 -0.074 0.000 0.851 311 D CB 0.018 40.810 40.800 -0.013 0.000 0.943 311 D HN 0.476 nan 8.370 nan 0.000 0.488 312 Q N -0.686 119.088 119.800 -0.044 0.000 2.280 312 Q HA 0.269 4.609 4.340 -0.000 0.000 0.201 312 Q C 0.877 176.872 176.000 -0.008 0.000 0.890 312 Q CA 0.211 56.004 55.803 -0.017 0.000 0.947 312 Q CB 0.860 29.595 28.738 -0.006 0.000 1.081 312 Q HN 0.210 nan 8.270 nan 0.000 0.502 313 G N 1.894 110.684 108.800 -0.017 0.000 2.198 313 G HA2 -0.324 3.636 3.960 -0.000 0.000 0.260 313 G HA3 -0.324 3.636 3.960 -0.000 0.000 0.260 313 G C -0.147 174.779 174.900 0.043 0.000 1.025 313 G CA 0.174 45.281 45.100 0.012 0.000 0.769 313 G HN 0.232 nan 8.290 nan 0.000 0.507 314 R N 0.413 120.944 120.500 0.051 0.000 2.573 314 R HA 0.549 4.889 4.340 -0.000 0.000 0.272 314 R C -2.147 174.254 176.300 0.169 0.000 1.009 314 R CA -1.834 54.316 56.100 0.083 0.000 1.059 314 R CB 0.969 31.305 30.300 0.060 0.000 1.112 314 R HN 0.120 nan 8.270 nan 0.000 0.517 315 P HA -0.035 nan 4.420 nan 0.000 0.268 315 P C -0.954 176.466 177.300 0.201 0.000 1.205 315 P CA 0.263 63.450 63.100 0.145 0.000 0.771 315 P CB 0.258 31.996 31.700 0.062 0.000 0.858 316 Y N -1.434 118.868 120.300 0.004 0.000 2.957 316 Y HA 0.350 4.900 4.550 -0.000 0.000 0.274 316 Y C 1.654 177.553 175.900 -0.003 0.000 1.065 316 Y CA -0.339 57.762 58.100 0.000 0.000 1.273 316 Y CB -0.934 37.520 38.460 -0.009 0.000 1.358 316 Y HN 0.183 nan 8.280 nan 0.000 0.585 317 S N 0.489 115.975 115.700 -0.357 0.000 2.348 317 S HA -0.197 4.272 4.470 -0.000 0.000 0.221 317 S C 1.920 176.444 174.600 -0.127 0.000 1.033 317 S CA 2.170 60.183 58.200 -0.310 0.000 1.010 317 S CB -0.106 62.966 63.200 -0.213 0.000 0.891 317 S HN 0.606 nan 8.310 nan 0.000 0.442 318 Q N 0.316 120.085 119.800 -0.053 0.000 2.084 318 Q HA -0.129 4.211 4.340 -0.000 0.000 0.202 318 Q C 2.240 178.244 176.000 0.007 0.000 0.978 318 Q CA 1.493 57.288 55.803 -0.014 0.000 0.844 318 Q CB -0.548 28.193 28.738 0.004 0.000 0.898 318 Q HN 0.592 nan 8.270 nan 0.000 0.426 319 Q N -0.012 119.808 119.800 0.033 0.000 2.224 319 Q HA -0.025 4.315 4.340 -0.000 0.000 0.203 319 Q C 1.797 177.850 176.000 0.088 0.000 0.970 319 Q CA 1.432 57.277 55.803 0.071 0.000 0.865 319 Q CB -0.237 28.565 28.738 0.106 0.000 0.922 319 Q HN 0.395 nan 8.270 nan 0.000 0.445 320 A N -0.673 122.194 122.820 0.079 0.000 1.975 320 A HA -0.031 4.289 4.320 -0.000 0.000 0.215 320 A C 2.191 179.799 177.584 0.039 0.000 1.170 320 A CA 1.100 53.192 52.037 0.092 0.000 0.656 320 A CB -0.343 18.706 19.000 0.081 0.000 0.821 320 A HN 0.244 nan 8.150 nan 0.000 0.449 321 S N -0.065 115.636 115.700 0.002 0.000 2.355 321 S HA -0.091 4.379 4.470 -0.000 0.000 0.222 321 S C 1.806 176.417 174.600 0.017 0.000 1.031 321 S CA 1.365 59.563 58.200 -0.003 0.000 0.993 321 S CB -0.445 62.744 63.200 -0.018 0.000 0.859 321 S HN 0.537 nan 8.310 nan 0.000 0.453 322 I N 1.480 122.065 120.570 0.026 0.000 2.208 322 I HA -0.247 3.923 4.170 -0.000 0.000 0.245 322 I C 2.595 178.740 176.117 0.046 0.000 1.097 322 I CA 1.172 62.492 61.300 0.032 0.000 1.363 322 I CB -0.422 37.598 38.000 0.033 0.000 1.051 322 I HN 0.270 nan 8.210 nan 0.000 0.413 323 A N 0.437 123.297 122.820 0.066 0.000 1.873 323 A HA -0.209 4.111 4.320 -0.000 0.000 0.215 323 A C 2.412 180.045 177.584 0.081 0.000 1.186 323 A CA 1.417 53.511 52.037 0.094 0.000 0.616 323 A CB -0.453 18.635 19.000 0.145 0.000 0.823 323 A HN 0.207 nan 8.150 nan 0.000 0.442 324 K N -0.339 120.097 120.400 0.060 0.000 2.032 324 K HA -0.166 4.154 4.320 -0.000 0.000 0.209 324 K C 1.946 178.569 176.600 0.038 0.000 1.048 324 K CA 1.775 58.088 56.287 0.043 0.000 0.927 324 K CB -0.587 31.930 32.500 0.028 0.000 0.712 324 K HN 0.364 nan 8.250 nan 0.000 0.441 325 L N 1.419 122.660 121.223 0.031 0.000 1.970 325 L HA -0.162 4.178 4.340 -0.000 0.000 0.212 325 L C 2.193 179.079 176.870 0.027 0.000 1.071 325 L CA 2.207 57.061 54.840 0.024 0.000 0.751 325 L CB -1.191 40.879 42.059 0.018 0.000 0.889 325 L HN 0.172 nan 8.230 nan 0.000 0.432 326 T N 0.030 114.605 114.554 0.033 0.000 2.684 326 T HA -0.214 4.136 4.350 -0.000 0.000 0.267 326 T C 1.855 176.579 174.700 0.039 0.000 1.036 326 T CA 1.641 63.762 62.100 0.034 0.000 1.148 326 T CB -0.650 68.242 68.868 0.040 0.000 0.863 326 T HN 0.539 nan 8.240 nan 0.000 0.436 327 A N 1.530 124.383 122.820 0.054 0.000 1.930 327 A HA -0.083 4.236 4.320 -0.000 0.000 0.217 327 A C 2.619 180.225 177.584 0.036 0.000 1.175 327 A CA 2.077 54.149 52.037 0.059 0.000 0.627 327 A CB -1.039 18.014 19.000 0.088 0.000 0.815 327 A HN 0.642 nan 8.150 nan 0.000 0.443 328 T N -2.939 111.632 114.554 0.029 0.000 2.942 328 T HA -0.069 4.281 4.350 -0.000 0.000 0.265 328 T C 1.321 176.025 174.700 0.007 0.000 1.062 328 T CA 1.304 63.413 62.100 0.015 0.000 1.139 328 T CB -0.343 68.534 68.868 0.015 0.000 0.883 328 T HN 0.259 nan 8.240 nan 0.000 0.468 329 D N 2.065 122.471 120.400 0.011 0.000 2.144 329 D HA 0.085 4.724 4.640 -0.000 0.000 0.199 329 D C 2.445 178.752 176.300 0.012 0.000 0.984 329 D CA 1.398 55.403 54.000 0.008 0.000 0.834 329 D CB -0.638 40.168 40.800 0.010 0.000 0.955 329 D HN 0.548 nan 8.370 nan 0.000 0.465 330 A N 0.920 123.750 122.820 0.016 0.000 1.883 330 A HA -0.087 4.232 4.320 -0.000 0.000 0.217 330 A C 2.306 179.900 177.584 0.016 0.000 1.186 330 A CA 2.353 54.401 52.037 0.018 0.000 0.624 330 A CB -0.812 18.202 19.000 0.023 0.000 0.822 330 A HN 0.239 nan 8.150 nan 0.000 0.444 331 A N -1.192 121.635 122.820 0.012 0.000 1.902 331 A HA -0.105 4.215 4.320 -0.000 0.000 0.217 331 A C 2.191 179.779 177.584 0.008 0.000 1.181 331 A CA 2.231 54.270 52.037 0.004 0.000 0.623 331 A CB -0.482 18.515 19.000 -0.006 0.000 0.818 331 A HN 0.551 nan 8.150 nan 0.000 0.443 332 M N -0.050 119.553 119.600 0.005 0.000 2.117 332 M HA -0.101 4.379 4.480 -0.000 0.000 0.262 332 M C 2.008 178.319 176.300 0.018 0.000 1.065 332 M CA 2.183 57.487 55.300 0.007 0.000 1.114 332 M CB -0.324 32.275 32.600 -0.002 0.000 1.361 332 M HN 0.422 nan 8.290 nan 0.000 0.408 333 K N -0.754 119.657 120.400 0.018 0.000 2.025 333 K HA -0.109 4.211 4.320 -0.000 0.000 0.207 333 K C 1.645 178.265 176.600 0.034 0.000 1.049 333 K CA 1.747 58.049 56.287 0.025 0.000 0.933 333 K CB -0.200 32.313 32.500 0.021 0.000 0.714 333 K HN 0.297 nan 8.250 nan 0.000 0.438 334 V N 1.475 121.409 119.914 0.033 0.000 2.427 334 V HA -0.222 3.898 4.120 -0.000 0.000 0.248 334 V C 2.510 178.640 176.094 0.059 0.000 1.051 334 V CA 2.274 64.600 62.300 0.043 0.000 1.048 334 V CB -0.710 31.134 31.823 0.034 0.000 0.666 334 V HN 0.642 nan 8.190 nan 0.000 0.456 335 T N -3.089 111.499 114.554 0.056 0.000 2.857 335 T HA -0.169 4.181 4.350 -0.000 0.000 0.266 335 T C 1.823 176.564 174.700 0.068 0.000 1.048 335 T CA 1.764 63.910 62.100 0.077 0.000 1.139 335 T CB -0.659 68.256 68.868 0.078 0.000 0.874 335 T HN 0.421 nan 8.240 nan 0.000 0.455 336 T N 2.125 116.711 114.554 0.054 0.000 2.746 336 T HA -0.091 4.259 4.350 -0.000 0.000 0.267 336 T C 1.622 176.358 174.700 0.060 0.000 1.039 336 T CA 1.527 63.658 62.100 0.052 0.000 1.142 336 T CB -0.526 68.366 68.868 0.040 0.000 0.866 336 T HN 0.406 nan 8.240 nan 0.000 0.444 337 D N 1.029 121.467 120.400 0.063 0.000 2.224 337 D HA 0.109 4.749 4.640 -0.000 0.000 0.205 337 D C 2.279 178.638 176.300 0.098 0.000 0.965 337 D CA 0.823 54.867 54.000 0.072 0.000 0.852 337 D CB -0.318 40.521 40.800 0.065 0.000 0.947 337 D HN 0.397 nan 8.370 nan 0.000 0.494 338 A N 0.581 123.469 122.820 0.113 0.000 1.898 338 A HA -0.110 4.210 4.320 -0.000 0.000 0.216 338 A C 2.478 180.179 177.584 0.195 0.000 1.181 338 A CA 0.962 53.101 52.037 0.169 0.000 0.620 338 A CB -0.670 18.434 19.000 0.174 0.000 0.819 338 A HN 0.122 nan 8.150 nan 0.000 0.442 339 V N -0.063 119.909 119.914 0.096 0.000 2.287 339 V HA -0.343 3.777 4.120 -0.000 0.000 0.248 339 V C 2.739 178.902 176.094 0.114 0.000 1.053 339 V CA 2.469 64.807 62.300 0.063 0.000 1.027 339 V CB -0.916 30.938 31.823 0.051 0.000 0.646 339 V HN 0.678 nan 8.190 nan 0.000 0.447 340 Q N 0.075 119.934 119.800 0.098 0.000 2.077 340 Q HA -0.199 4.141 4.340 -0.000 0.000 0.206 340 Q C 2.091 178.150 176.000 0.098 0.000 0.989 340 Q CA 2.363 58.215 55.803 0.083 0.000 0.853 340 Q CB -0.706 28.071 28.738 0.065 0.000 0.907 340 Q HN 0.487 nan 8.270 nan 0.000 0.418 341 V N -0.019 119.968 119.914 0.122 0.000 2.392 341 V HA -0.243 3.877 4.120 -0.000 0.000 0.249 341 V C 1.865 177.996 176.094 0.060 0.000 1.059 341 V CA 1.862 64.221 62.300 0.099 0.000 1.051 341 V CB -0.635 31.246 31.823 0.096 0.000 0.658 341 V HN 0.341 nan 8.190 nan 0.000 0.455 342 F N 0.354 120.227 119.950 -0.128 0.000 2.407 342 F HA 0.287 4.814 4.527 -0.000 0.000 0.299 342 F C 1.829 177.510 175.800 -0.197 0.000 1.097 342 F CA 1.008 58.763 58.000 -0.409 0.000 1.422 342 F CB -0.771 37.865 39.000 -0.607 0.000 1.067 342 F HN 0.324 nan 8.300 nan 0.000 0.539 343 G N 0.109 108.966 108.800 0.095 0.000 2.552 343 G HA2 -0.296 3.664 3.960 -0.000 0.000 0.265 343 G HA3 -0.296 3.664 3.960 -0.000 0.000 0.265 343 G C 1.246 176.192 174.900 0.078 0.000 1.234 343 G CA -0.150 44.998 45.100 0.080 0.000 0.944 343 G HN 0.571 nan 8.290 nan 0.000 0.568 344 G N -0.461 108.384 108.800 0.074 0.000 2.469 344 G HA2 0.044 4.004 3.960 -0.000 0.000 0.219 344 G HA3 0.044 4.004 3.960 -0.000 0.000 0.219 344 G C 2.128 177.103 174.900 0.126 0.000 1.150 344 G CA 3.574 48.725 45.100 0.086 0.000 0.763 344 G HN 2.088 nan 8.290 nan 0.000 0.561 345 V N -0.614 119.373 119.914 0.121 0.000 2.594 345 V HA 0.048 4.168 4.120 -0.000 0.000 0.253 345 V C 2.700 178.852 176.094 0.096 0.000 1.069 345 V CA 1.909 64.303 62.300 0.157 0.000 1.082 345 V CB -1.256 30.709 31.823 0.236 0.000 0.680 345 V HN 0.294 nan 8.190 nan 0.000 0.469 346 G N -1.419 107.384 108.800 0.005 0.000 2.471 346 G HA2 -0.262 3.698 3.960 -0.000 0.000 0.219 346 G HA3 -0.262 3.698 3.960 -0.000 0.000 0.219 346 G C 1.373 176.262 174.900 -0.018 0.000 1.125 346 G CA 0.849 45.864 45.100 -0.141 0.000 0.775 346 G HN 0.641 nan 8.290 nan 0.000 0.548 347 Y N 2.361 122.630 120.300 -0.052 0.000 2.490 347 Y HA 0.208 4.758 4.550 -0.000 0.000 0.281 347 Y C 1.487 177.370 175.900 -0.029 0.000 1.174 347 Y CA 0.348 58.425 58.100 -0.037 0.000 1.295 347 Y CB -0.037 38.415 38.460 -0.014 0.000 1.062 347 Y HN 0.170 nan 8.280 nan 0.000 0.522 348 T N -2.798 111.749 114.554 -0.011 0.000 2.952 348 T HA 0.371 4.721 4.350 -0.000 0.000 0.286 348 T C 0.581 175.220 174.700 -0.102 0.000 1.024 348 T CA -1.018 61.050 62.100 -0.053 0.000 1.029 348 T CB 1.567 70.450 68.868 0.026 0.000 1.094 348 T HN 0.294 nan 8.240 nan 0.000 0.515 349 R N 0.335 120.762 120.500 -0.121 0.000 2.391 349 R HA 0.174 4.514 4.340 -0.000 0.000 0.249 349 R C 0.026 176.226 176.300 -0.168 0.000 0.957 349 R CA -0.174 55.839 56.100 -0.145 0.000 1.093 349 R CB -0.187 30.033 30.300 -0.133 0.000 1.156 349 R HN 0.547 nan 8.270 nan 0.000 0.526 350 D N -0.068 120.223 120.400 -0.182 0.000 2.347 350 D HA -0.010 4.630 4.640 -0.000 0.000 0.215 350 D C -0.256 175.676 176.300 -0.614 0.000 0.976 350 D CA 1.065 54.855 54.000 -0.350 0.000 0.884 350 D CB 0.178 40.761 40.800 -0.361 0.000 0.915 350 D HN 0.184 nan 8.370 nan 0.000 0.526 351 Y N -1.170 119.005 120.300 -0.208 0.000 2.602 351 Y HA 0.398 4.947 4.550 -0.000 0.000 0.342 351 Y C 1.340 177.013 175.900 -0.379 0.000 1.029 351 Y CA -1.041 56.878 58.100 -0.303 0.000 1.080 351 Y CB 1.543 39.720 38.460 -0.471 0.000 1.284 351 Y HN -0.470 nan 8.280 nan 0.000 0.485 352 R N 0.012 120.348 120.500 -0.274 0.000 2.246 352 R HA -0.027 4.313 4.340 -0.000 0.000 0.199 352 R C 1.713 177.585 176.300 -0.714 0.000 0.984 352 R CA 0.923 56.705 56.100 -0.532 0.000 1.015 352 R CB -0.008 29.900 30.300 -0.654 0.000 0.930 352 R HN 0.650 nan 8.270 nan 0.000 0.475 353 V N 0.196 119.773 119.914 -0.562 0.000 2.490 353 V HA -0.262 3.858 4.120 -0.000 0.000 0.250 353 V C 2.034 177.976 176.094 -0.252 0.000 1.061 353 V CA 2.069 64.127 62.300 -0.403 0.000 1.064 353 V CB -0.553 31.029 31.823 -0.402 0.000 0.670 353 V HN 0.303 nan 8.190 nan 0.000 0.461 354 E N 2.058 122.101 120.200 -0.261 0.000 2.072 354 E HA -0.254 4.096 4.350 -0.000 0.000 0.191 354 E C 2.329 178.840 176.600 -0.149 0.000 0.985 354 E CA 1.767 58.060 56.400 -0.178 0.000 0.801 354 E CB -0.719 28.854 29.700 -0.212 0.000 0.750 354 E HN 0.614 nan 8.360 nan 0.000 0.452 355 R N -0.661 119.715 120.500 -0.207 0.000 2.091 355 R HA -0.178 4.162 4.340 -0.000 0.000 0.238 355 R C 1.841 178.129 176.300 -0.020 0.000 1.136 355 R CA 1.606 57.617 56.100 -0.149 0.000 0.959 355 R CB -0.388 29.786 30.300 -0.209 0.000 0.856 355 R HN 0.243 nan 8.270 nan 0.000 0.437 356 Y N 0.372 120.630 120.300 -0.070 0.000 2.224 356 Y HA -0.193 4.357 4.550 -0.000 0.000 0.289 356 Y C 2.317 178.191 175.900 -0.042 0.000 1.146 356 Y CA 1.156 59.227 58.100 -0.049 0.000 1.182 356 Y CB -0.689 37.746 38.460 -0.041 0.000 0.983 356 Y HN 0.163 nan 8.280 nan 0.000 0.524 357 M N -0.079 119.586 119.600 0.108 0.000 2.117 357 M HA -0.237 4.243 4.480 -0.000 0.000 0.262 357 M C 2.159 178.472 176.300 0.022 0.000 1.065 357 M CA 1.711 57.042 55.300 0.052 0.000 1.114 357 M CB -0.064 32.554 32.600 0.031 0.000 1.361 357 M HN 0.127 nan 8.290 nan 0.000 0.408 358 R N 0.031 120.534 120.500 0.005 0.000 2.081 358 R HA -0.153 4.187 4.340 -0.000 0.000 0.235 358 R C 1.896 178.181 176.300 -0.025 0.000 1.131 358 R CA 1.844 57.935 56.100 -0.015 0.000 0.960 358 R CB -0.470 29.812 30.300 -0.029 0.000 0.856 358 R HN 0.565 nan 8.270 nan 0.000 0.436 359 E N 0.543 120.742 120.200 -0.001 0.000 2.150 359 E HA -0.135 4.215 4.350 -0.000 0.000 0.193 359 E C 1.935 178.513 176.600 -0.036 0.000 0.985 359 E CA 1.023 57.417 56.400 -0.010 0.000 0.814 359 E CB -0.030 29.700 29.700 0.051 0.000 0.752 359 E HN 0.370 nan 8.360 nan 0.000 0.466 360 A N 1.430 124.238 122.820 -0.019 0.000 1.968 360 A HA -0.148 4.171 4.320 -0.000 0.000 0.217 360 A C 2.036 179.577 177.584 -0.071 0.000 1.169 360 A CA 1.277 53.292 52.037 -0.036 0.000 0.638 360 A CB -0.183 18.811 19.000 -0.009 0.000 0.812 360 A HN -0.008 nan 8.150 nan 0.000 0.446 361 K N 0.151 120.508 120.400 -0.071 0.000 2.063 361 K HA -0.142 4.177 4.320 -0.000 0.000 0.208 361 K C 1.506 178.008 176.600 -0.163 0.000 1.048 361 K CA 1.756 57.989 56.287 -0.089 0.000 0.928 361 K CB -0.525 31.937 32.500 -0.063 0.000 0.713 361 K HN 0.354 nan 8.250 nan 0.000 0.442 362 I N 0.148 120.573 120.570 -0.242 0.000 2.676 362 I HA -0.046 4.124 4.170 -0.000 0.000 0.259 362 I C 1.800 177.495 176.117 -0.703 0.000 1.194 362 I CA 1.152 62.177 61.300 -0.458 0.000 1.473 362 I CB -0.114 37.581 38.000 -0.507 0.000 1.096 362 I HN 0.250 nan 8.210 nan 0.000 0.443 363 M N -0.459 118.878 119.600 -0.439 0.000 2.213 363 M HA -0.215 4.265 4.480 -0.000 0.000 0.263 363 M C 2.079 178.315 176.300 -0.106 0.000 1.062 363 M CA 1.601 56.759 55.300 -0.236 0.000 1.105 363 M CB -0.211 32.356 32.600 -0.055 0.000 1.385 363 M HN 0.250 nan 8.290 nan 0.000 0.417 364 Q N -0.526 119.204 119.800 -0.117 0.000 2.291 364 Q HA -0.102 4.238 4.340 -0.000 0.000 0.205 364 Q C 1.703 177.661 176.000 -0.071 0.000 0.970 364 Q CA 0.995 56.758 55.803 -0.067 0.000 0.876 364 Q CB 0.052 28.754 28.738 -0.060 0.000 0.935 364 Q HN 0.580 nan 8.270 nan 0.000 0.455 365 I N -0.579 119.907 120.570 -0.140 0.000 2.947 365 I HA 0.020 4.190 4.170 -0.000 0.000 0.263 365 I C 1.020 177.126 176.117 -0.017 0.000 1.130 365 I CA -0.037 61.189 61.300 -0.123 0.000 1.448 365 I CB 0.300 38.177 38.000 -0.205 0.000 1.222 365 I HN 0.048 nan 8.210 nan 0.000 0.453 366 F N 0.428 120.316 119.950 -0.104 0.000 2.375 366 F HA 0.499 5.025 4.527 -0.000 0.000 0.317 366 F C 0.785 176.543 175.800 -0.069 0.000 1.124 366 F CA -1.011 56.925 58.000 -0.106 0.000 1.050 366 F CB 0.570 39.499 39.000 -0.117 0.000 1.314 366 F HN -0.095 nan 8.300 nan 0.000 0.511 367 E N 0.922 121.188 120.200 0.110 0.000 2.320 367 E HA -0.053 4.297 4.350 -0.000 0.000 0.234 367 E C -0.189 176.415 176.600 0.008 0.000 1.183 367 E CA 1.096 57.489 56.400 -0.013 0.000 0.713 367 E CB -1.531 28.131 29.700 -0.063 0.000 1.226 367 E HN 1.613 nan 8.360 nan 0.000 0.382 368 G N 0.367 109.175 108.800 0.012 0.000 3.421 368 G HA2 -0.064 3.896 3.960 -0.000 0.000 0.656 368 G HA3 -0.064 3.896 3.960 -0.000 0.000 0.656 368 G C 0.191 175.097 174.900 0.010 0.000 1.007 368 G CA 0.425 45.525 45.100 -0.001 0.000 0.811 368 G HN 1.177 nan 8.290 nan 0.000 0.433 369 T N 0.755 115.308 114.554 -0.002 0.000 2.908 369 T HA 0.145 4.495 4.350 -0.000 0.000 0.325 369 T C 1.598 176.295 174.700 -0.006 0.000 1.092 369 T CA 0.575 62.668 62.100 -0.010 0.000 1.125 369 T CB 0.757 69.610 68.868 -0.025 0.000 1.016 369 T HN 0.468 nan 8.240 nan 0.000 0.550 370 N N 1.505 120.201 118.700 -0.007 0.000 2.272 370 N HA -0.105 4.635 4.740 -0.000 0.000 0.185 370 N C 1.881 177.388 175.510 -0.003 0.000 1.014 370 N CA 1.109 54.157 53.050 -0.003 0.000 0.870 370 N CB -0.464 38.021 38.487 -0.004 0.000 0.975 370 N HN 0.645 nan 8.380 nan 0.000 0.433 371 Q N 0.344 120.140 119.800 -0.006 0.000 2.079 371 Q HA 0.107 4.447 4.340 -0.000 0.000 0.200 371 Q C 2.060 178.059 176.000 -0.003 0.000 0.974 371 Q CA 0.701 56.502 55.803 -0.004 0.000 0.840 371 Q CB -0.189 28.545 28.738 -0.006 0.000 0.898 371 Q HN 0.388 nan 8.270 nan 0.000 0.430 372 I N 0.301 120.868 120.570 -0.004 0.000 2.315 372 I HA -0.291 3.879 4.170 -0.000 0.000 0.248 372 I C 1.990 178.105 176.117 -0.003 0.000 1.117 372 I CA 0.839 62.137 61.300 -0.003 0.000 1.404 372 I CB -0.052 37.945 38.000 -0.005 0.000 1.071 372 I HN 0.221 nan 8.210 nan 0.000 0.419 373 Q N 0.492 120.290 119.800 -0.004 0.000 2.061 373 Q HA -0.216 4.124 4.340 -0.000 0.000 0.204 373 Q C 2.303 178.303 176.000 0.000 0.000 0.984 373 Q CA 1.620 57.421 55.803 -0.004 0.000 0.846 373 Q CB -0.520 28.218 28.738 -0.000 0.000 0.902 373 Q HN 0.516 nan 8.270 nan 0.000 0.421 374 R N 0.122 120.623 120.500 0.002 0.000 2.091 374 R HA -0.124 4.216 4.340 -0.000 0.000 0.238 374 R C 2.422 178.725 176.300 0.004 0.000 1.136 374 R CA 0.944 57.047 56.100 0.004 0.000 0.959 374 R CB -0.504 29.798 30.300 0.003 0.000 0.856 374 R HN 0.120 nan 8.270 nan 0.000 0.437 375 L N 0.562 121.788 121.223 0.004 0.000 2.012 375 L HA -0.205 4.135 4.340 -0.000 0.000 0.210 375 L C 2.219 179.094 176.870 0.009 0.000 1.073 375 L CA 1.543 56.387 54.840 0.007 0.000 0.748 375 L CB -0.332 41.731 42.059 0.007 0.000 0.891 375 L HN -0.047 nan 8.230 nan 0.000 0.431 376 V N -0.287 119.633 119.914 0.009 0.000 2.332 376 V HA -0.334 3.786 4.120 -0.000 0.000 0.248 376 V C 2.357 178.457 176.094 0.010 0.000 1.055 376 V CA 2.272 64.579 62.300 0.012 0.000 1.038 376 V CB -0.479 31.346 31.823 0.003 0.000 0.651 376 V HN 0.416 nan 8.190 nan 0.000 0.450 377 I N 0.272 120.846 120.570 0.006 0.000 2.226 377 I HA -0.213 3.956 4.170 -0.000 0.000 0.245 377 I C 2.629 178.751 176.117 0.009 0.000 1.100 377 I CA 1.432 62.736 61.300 0.007 0.000 1.374 377 I CB -0.648 37.356 38.000 0.007 0.000 1.057 377 I HN 0.263 nan 8.210 nan 0.000 0.413 378 A N 1.111 123.936 122.820 0.008 0.000 1.845 378 A HA -0.263 4.057 4.320 -0.000 0.000 0.215 378 A C 2.721 180.310 177.584 0.009 0.000 1.195 378 A CA 2.765 54.807 52.037 0.008 0.000 0.616 378 A CB -1.190 17.814 19.000 0.007 0.000 0.832 378 A HN 0.365 nan 8.150 nan 0.000 0.443 379 R N -0.721 119.786 120.500 0.011 0.000 2.154 379 R HA -0.094 4.246 4.340 -0.000 0.000 0.248 379 R C 2.362 178.670 176.300 0.013 0.000 1.155 379 R CA 2.289 58.397 56.100 0.012 0.000 0.979 379 R CB -2.149 28.161 30.300 0.017 0.000 0.869 379 R HN 0.888 nan 8.270 nan 0.000 0.452 380 G N -0.424 108.384 108.800 0.014 0.000 2.776 380 G HA2 0.194 4.154 3.960 -0.000 0.000 0.209 380 G HA3 0.194 4.154 3.960 -0.000 0.000 0.209 380 G C 1.286 176.192 174.900 0.010 0.000 1.145 380 G CA 0.610 45.718 45.100 0.013 0.000 0.791 380 G HN 0.487 nan 8.290 nan 0.000 0.530 381 L N -0.260 120.968 121.223 0.009 0.000 2.731 381 L HA 0.251 4.591 4.340 -0.000 0.000 0.240 381 L C 1.056 177.930 176.870 0.007 0.000 1.120 381 L CA 0.034 54.879 54.840 0.008 0.000 0.913 381 L CB 0.526 42.590 42.059 0.007 0.000 1.213 381 L HN -0.059 nan 8.230 nan 0.000 0.515 382 T N 0.000 114.558 114.554 0.006 0.000 3.816 382 T HA 0.000 4.350 4.350 -0.000 0.000 0.228 382 T CA 0.000 62.103 62.100 0.005 0.000 1.349 382 T CB 0.000 68.871 68.868 0.005 0.000 0.612 382 T HN 0.000 nan 8.240 nan 0.000 0.658