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 3p71_1_C DATA FIRST_RESID 2 DATA SEQUENCE DEKVFTKELD QWIEQLNECK QLSESQVKSL CEKAKEILTK ESNVQEVRCP DATA SEQUENCE VTVCGDVHGQ FHDLMELFRI GGKSPDTNYL FMGDYVDRGY YSVETVTLLV DATA SEQUENCE ALKVRYRERI TILRGNHESR QITQVYGFYD ECLRKYGNAN VWKYFTDLFD DATA SEQUENCE YLPLTALVDG QIFCLHGGLS PSIDTLDHIR ALDRLQEVPH EGPMCDLLWS DATA SEQUENCE DPDDRGGWGI SPRGAGYTFG QDISETFNHA NGLTLVSRAH QLVMEGYNWC DATA SEQUENCE HDRNVVTIFS APNYCYRCGN QAAIMELDDT LKYSFLQFDP APXXXXXHVT DATA SEQUENCE RRTPDYFL 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 2 D HA 0.000 nan 4.640 nan 0.000 0.175 2 D C 0.000 176.308 176.300 0.014 0.000 2.045 2 D CA 0.000 53.995 54.000 -0.009 0.000 0.868 2 D CB 0.000 40.793 40.800 -0.012 0.000 0.688 3 E N -0.119 120.089 120.200 0.013 0.000 2.338 3 E HA -0.115 4.235 4.350 -0.001 0.000 0.197 3 E C 1.097 177.739 176.600 0.069 0.000 1.007 3 E CA 0.822 57.263 56.400 0.069 0.000 0.849 3 E CB 0.164 29.885 29.700 0.034 0.000 0.774 3 E HN 0.214 nan 8.360 nan 0.000 0.506 4 K N -0.321 120.091 120.400 0.019 0.000 2.026 4 K HA -0.123 4.197 4.320 -0.001 0.000 0.208 4 K C 2.054 178.638 176.600 -0.027 0.000 1.048 4 K CA 1.449 57.730 56.287 -0.010 0.000 0.929 4 K CB 0.020 32.511 32.500 -0.014 0.000 0.713 4 K HN 0.005 nan 8.250 nan 0.000 0.439 5 V N 0.973 120.882 119.914 -0.008 0.000 2.358 5 V HA -0.213 3.906 4.120 -0.001 0.000 0.246 5 V C 1.994 178.057 176.094 -0.053 0.000 1.047 5 V CA 1.539 63.823 62.300 -0.027 0.000 1.035 5 V CB -0.570 31.251 31.823 -0.004 0.000 0.658 5 V HN 0.211 nan 8.190 nan 0.000 0.452 6 F N 1.939 121.793 119.950 -0.160 0.000 2.171 6 F HA -0.193 4.334 4.527 -0.001 0.000 0.300 6 F C 2.361 177.981 175.800 -0.299 0.000 1.090 6 F CA 2.168 60.029 58.000 -0.232 0.000 1.293 6 F CB -0.687 38.206 39.000 -0.179 0.000 1.013 6 F HN 0.135 nan 8.300 nan 0.000 0.486 7 T N 0.579 114.928 114.554 -0.341 0.000 2.746 7 T HA -0.198 4.152 4.350 -0.001 0.000 0.267 7 T C 1.869 176.309 174.700 -0.433 0.000 1.039 7 T CA 1.812 63.655 62.100 -0.428 0.000 1.142 7 T CB -0.263 68.481 68.868 -0.207 0.000 0.866 7 T HN 0.272 nan 8.240 nan 0.000 0.444 8 K N 1.085 121.297 120.400 -0.314 0.000 2.057 8 K HA -0.083 4.237 4.320 -0.001 0.000 0.207 8 K C 2.465 178.849 176.600 -0.359 0.000 1.049 8 K CA 1.243 57.372 56.287 -0.263 0.000 0.931 8 K CB -0.091 32.307 32.500 -0.168 0.000 0.714 8 K HN 0.458 nan 8.250 nan 0.000 0.440 9 E N 0.732 120.630 120.200 -0.503 0.000 2.106 9 E HA -0.182 4.168 4.350 -0.001 0.000 0.192 9 E C 2.009 177.926 176.600 -1.138 0.000 0.984 9 E CA 0.745 56.724 56.400 -0.700 0.000 0.806 9 E CB -0.092 29.174 29.700 -0.723 0.000 0.750 9 E HN 0.109 nan 8.360 nan 0.000 0.458 10 L N 1.890 122.382 121.223 -1.218 0.000 2.131 10 L HA -0.164 4.176 4.340 -0.001 0.000 0.210 10 L C 1.552 178.163 176.870 -0.432 0.000 1.092 10 L CA 1.769 56.016 54.840 -0.988 0.000 0.759 10 L CB -0.343 41.130 42.059 -0.976 0.000 0.903 10 L HN -0.045 nan 8.230 nan 0.000 0.435 11 D N -0.801 119.378 120.400 -0.369 0.000 2.123 11 D HA -0.224 4.416 4.640 -0.001 0.000 0.196 11 D C 2.012 178.259 176.300 -0.089 0.000 0.992 11 D CA 1.101 54.992 54.000 -0.181 0.000 0.833 11 D CB -0.076 40.630 40.800 -0.156 0.000 0.954 11 D HN 0.434 nan 8.370 nan 0.000 0.455 12 Q N -0.271 119.456 119.800 -0.121 0.000 2.119 12 Q HA -0.140 4.200 4.340 -0.001 0.000 0.201 12 Q C 2.054 178.157 176.000 0.171 0.000 0.972 12 Q CA 0.978 56.783 55.803 0.003 0.000 0.847 12 Q CB -0.203 28.525 28.738 -0.017 0.000 0.903 12 Q HN 0.361 nan 8.270 nan 0.000 0.433 13 W N 0.745 122.013 121.300 -0.052 0.000 2.358 13 W HA -0.082 4.578 4.660 -0.000 0.000 0.303 13 W C 2.248 178.762 176.519 -0.008 0.000 1.208 13 W CA 0.324 57.653 57.345 -0.027 0.000 1.274 13 W CB -1.047 28.388 29.460 -0.041 0.000 1.138 13 W HN 0.137 nan 8.180 nan 0.000 0.515 14 I N 0.008 120.704 120.570 0.210 0.000 2.226 14 I HA -0.278 3.892 4.170 -0.001 0.000 0.245 14 I C 2.482 178.663 176.117 0.106 0.000 1.100 14 I CA 1.714 63.092 61.300 0.130 0.000 1.374 14 I CB -0.631 37.412 38.000 0.072 0.000 1.057 14 I HN 0.003 nan 8.210 nan 0.000 0.413 15 E N 0.780 121.031 120.200 0.086 0.000 2.085 15 E HA -0.318 4.031 4.350 -0.001 0.000 0.194 15 E C 2.194 178.844 176.600 0.083 0.000 0.994 15 E CA 1.531 57.974 56.400 0.071 0.000 0.801 15 E CB -0.027 29.703 29.700 0.051 0.000 0.743 15 E HN 0.520 nan 8.360 nan 0.000 0.453 16 Q N 0.109 119.971 119.800 0.103 0.000 2.049 16 Q HA -0.119 4.221 4.340 -0.001 0.000 0.198 16 Q C 2.447 178.481 176.000 0.057 0.000 0.971 16 Q CA 0.958 56.809 55.803 0.080 0.000 0.833 16 Q CB 0.026 28.819 28.738 0.092 0.000 0.896 16 Q HN 0.335 nan 8.270 nan 0.000 0.434 17 L N 1.113 122.385 121.223 0.081 0.000 2.201 17 L HA -0.174 4.166 4.340 -0.001 0.000 0.212 17 L C 2.048 179.010 176.870 0.153 0.000 1.105 17 L CA 0.539 55.417 54.840 0.063 0.000 0.775 17 L CB -0.419 41.710 42.059 0.116 0.000 0.913 17 L HN 0.252 nan 8.230 nan 0.000 0.440 18 N N 0.841 119.656 118.700 0.193 0.000 2.289 18 N HA -0.192 4.548 4.740 -0.001 0.000 0.184 18 N C 1.225 176.888 175.510 0.255 0.000 1.016 18 N CA 1.368 54.571 53.050 0.256 0.000 0.872 18 N CB -0.070 38.496 38.487 0.132 0.000 0.973 18 N HN 0.619 nan 8.380 nan 0.000 0.433 19 E N -0.566 119.709 120.200 0.125 0.000 2.394 19 E HA 0.171 4.520 4.350 -0.001 0.000 0.191 19 E C 0.089 176.665 176.600 -0.040 0.000 1.044 19 E CA -0.281 56.163 56.400 0.074 0.000 0.939 19 E CB -0.474 29.256 29.700 0.051 0.000 1.089 19 E HN 0.115 nan 8.360 nan 0.000 0.456 20 C N 1.685 120.854 119.300 -0.219 0.000 4.432 20 C HA -0.136 4.323 4.460 -0.001 0.000 0.294 20 C C -0.271 174.532 174.990 -0.311 0.000 1.398 20 C CA 0.580 59.218 59.018 -0.634 0.000 1.988 20 C CB -1.608 25.704 27.740 -0.714 0.000 1.251 20 C HN 0.411 nan 8.230 nan 0.000 0.791 21 K N 1.483 121.779 120.400 -0.172 0.000 2.240 21 K HA 0.322 4.642 4.320 -0.001 0.000 0.271 21 K C 0.493 177.036 176.600 -0.095 0.000 1.018 21 K CA -0.038 56.189 56.287 -0.101 0.000 0.874 21 K CB 1.222 33.694 32.500 -0.046 0.000 1.098 21 K HN 0.830 nan 8.250 nan 0.000 0.458 22 Q N 3.474 123.219 119.800 -0.093 0.000 2.421 22 Q HA 0.189 4.529 4.340 -0.001 0.000 0.255 22 Q C -0.440 175.536 176.000 -0.040 0.000 1.013 22 Q CA -0.170 55.601 55.803 -0.054 0.000 0.895 22 Q CB 0.536 29.223 28.738 -0.086 0.000 1.271 22 Q HN 0.431 nan 8.270 nan 0.000 0.460 23 L N 1.875 123.091 121.223 -0.011 0.000 2.439 23 L HA 0.207 4.547 4.340 -0.001 0.000 0.261 23 L C 0.829 177.714 176.870 0.026 0.000 1.153 23 L CA -0.652 54.121 54.840 -0.112 0.000 0.808 23 L CB 1.158 43.025 42.059 -0.320 0.000 1.126 23 L HN 0.936 nan 8.230 nan 0.000 0.460 24 S N -0.233 115.441 115.700 -0.044 0.000 2.596 24 S HA 0.002 4.472 4.470 -0.001 0.000 0.260 24 S C 0.878 175.546 174.600 0.113 0.000 1.336 24 S CA -0.298 57.947 58.200 0.074 0.000 0.993 24 S CB 1.023 64.232 63.200 0.015 0.000 0.923 24 S HN 0.742 nan 8.310 nan 0.000 0.567 25 E N 0.729 121.028 120.200 0.164 0.000 2.038 25 E HA -0.193 4.157 4.350 -0.001 0.000 0.195 25 E C 2.307 178.899 176.600 -0.012 0.000 1.000 25 E CA 1.758 58.173 56.400 0.025 0.000 0.803 25 E CB -0.337 29.399 29.700 0.060 0.000 0.750 25 E HN 0.880 nan 8.360 nan 0.000 0.448 26 S N 0.033 115.727 115.700 -0.009 0.000 2.382 26 S HA -0.222 4.248 4.470 -0.001 0.000 0.228 26 S C 1.944 176.483 174.600 -0.100 0.000 1.027 26 S CA 1.143 59.314 58.200 -0.048 0.000 0.991 26 S CB -0.277 62.918 63.200 -0.008 0.000 0.823 26 S HN 0.269 nan 8.310 nan 0.000 0.469 27 Q N 0.557 120.270 119.800 -0.145 0.000 2.061 27 Q HA -0.073 4.267 4.340 -0.001 0.000 0.204 27 Q C 2.391 178.153 176.000 -0.397 0.000 0.984 27 Q CA 1.904 57.492 55.803 -0.357 0.000 0.846 27 Q CB -0.516 27.819 28.738 -0.672 0.000 0.902 27 Q HN 0.541 nan 8.270 nan 0.000 0.421 28 V N 1.195 120.935 119.914 -0.290 0.000 2.343 28 V HA -0.284 3.836 4.120 -0.001 0.000 0.247 28 V C 2.262 178.155 176.094 -0.334 0.000 1.051 28 V CA 1.878 64.020 62.300 -0.263 0.000 1.036 28 V CB -0.582 31.135 31.823 -0.177 0.000 0.654 28 V HN 0.338 nan 8.190 nan 0.000 0.451 29 K N 0.166 120.330 120.400 -0.394 0.000 2.044 29 K HA -0.209 4.111 4.320 -0.001 0.000 0.210 29 K C 2.355 178.710 176.600 -0.408 0.000 1.049 29 K CA 2.045 57.916 56.287 -0.693 0.000 0.927 29 K CB -0.206 31.843 32.500 -0.752 0.000 0.713 29 K HN 0.485 nan 8.250 nan 0.000 0.443 30 S N 1.298 116.879 115.700 -0.198 0.000 2.355 30 S HA -0.153 4.316 4.470 -0.001 0.000 0.222 30 S C 1.769 176.375 174.600 0.010 0.000 1.031 30 S CA 1.174 59.338 58.200 -0.061 0.000 0.993 30 S CB -0.337 62.948 63.200 0.141 0.000 0.859 30 S HN 0.311 nan 8.310 nan 0.000 0.453 31 L N 1.586 122.883 121.223 0.122 0.000 2.042 31 L HA -0.096 4.243 4.340 -0.001 0.000 0.210 31 L C 2.173 179.047 176.870 0.006 0.000 1.076 31 L CA 1.636 56.604 54.840 0.213 0.000 0.749 31 L CB -0.943 41.245 42.059 0.216 0.000 0.893 31 L HN 0.336 nan 8.230 nan 0.000 0.432 32 C N -0.385 118.813 119.300 -0.169 0.000 2.435 32 C HA -0.056 4.403 4.460 -0.001 0.000 0.279 32 C C 2.631 177.488 174.990 -0.223 0.000 1.321 32 C CA 0.402 59.277 59.018 -0.237 0.000 1.752 32 C CB -0.859 26.652 27.740 -0.382 0.000 1.959 32 C HN 0.558 nan 8.230 nan 0.000 0.500 33 E N 1.079 121.144 120.200 -0.225 0.000 2.072 33 E HA -0.118 4.232 4.350 -0.001 0.000 0.190 33 E C 2.170 178.656 176.600 -0.191 0.000 0.982 33 E CA 0.916 57.181 56.400 -0.225 0.000 0.803 33 E CB -0.258 29.309 29.700 -0.223 0.000 0.755 33 E HN 0.543 nan 8.360 nan 0.000 0.453 34 K N 0.673 120.980 120.400 -0.156 0.000 2.147 34 K HA -0.030 4.290 4.320 -0.001 0.000 0.205 34 K C 1.997 178.560 176.600 -0.061 0.000 1.049 34 K CA 0.955 57.168 56.287 -0.123 0.000 0.936 34 K CB -0.380 32.054 32.500 -0.109 0.000 0.722 34 K HN 0.061 nan 8.250 nan 0.000 0.446 35 A N 1.562 124.353 122.820 -0.049 0.000 1.929 35 A HA -0.142 4.178 4.320 -0.001 0.000 0.216 35 A C 2.119 179.643 177.584 -0.099 0.000 1.176 35 A CA 1.391 53.409 52.037 -0.032 0.000 0.628 35 A CB -0.246 18.752 19.000 -0.003 0.000 0.816 35 A HN 0.238 nan 8.150 nan 0.000 0.444 36 K N -0.134 120.131 120.400 -0.225 0.000 2.026 36 K HA -0.154 4.165 4.320 -0.001 0.000 0.208 36 K C 1.899 178.344 176.600 -0.260 0.000 1.048 36 K CA 1.711 57.734 56.287 -0.441 0.000 0.929 36 K CB -0.181 31.942 32.500 -0.628 0.000 0.713 36 K HN 0.593 nan 8.250 nan 0.000 0.439 37 E N 0.337 120.437 120.200 -0.166 0.000 2.204 37 E HA -0.152 4.198 4.350 -0.001 0.000 0.195 37 E C 1.873 178.455 176.600 -0.031 0.000 0.990 37 E CA 0.797 57.146 56.400 -0.085 0.000 0.821 37 E CB 0.011 29.659 29.700 -0.088 0.000 0.750 37 E HN 0.316 nan 8.360 nan 0.000 0.477 38 I N 0.366 120.922 120.570 -0.023 0.000 2.296 38 I HA -0.204 3.965 4.170 -0.001 0.000 0.242 38 I C 2.126 178.273 176.117 0.050 0.000 1.087 38 I CA 0.662 61.973 61.300 0.018 0.000 1.393 38 I CB -0.005 38.012 38.000 0.028 0.000 1.093 38 I HN 0.068 nan 8.210 nan 0.000 0.421 39 L N 0.120 121.379 121.223 0.059 0.000 2.131 39 L HA -0.178 4.161 4.340 -0.001 0.000 0.210 39 L C 2.561 179.534 176.870 0.171 0.000 1.092 39 L CA 1.307 56.221 54.840 0.125 0.000 0.759 39 L CB -0.997 41.162 42.059 0.167 0.000 0.903 39 L HN 0.272 nan 8.230 nan 0.000 0.435 40 T N -0.345 114.320 114.554 0.186 0.000 2.699 40 T HA -0.232 4.118 4.350 -0.001 0.000 0.268 40 T C 1.571 176.345 174.700 0.122 0.000 1.036 40 T CA 1.402 63.627 62.100 0.208 0.000 1.147 40 T CB -0.204 68.776 68.868 0.186 0.000 0.862 40 T HN 0.322 nan 8.240 nan 0.000 0.446 41 K N 1.109 121.562 120.400 0.089 0.000 2.522 41 K HA 0.152 4.472 4.320 -0.001 0.000 0.194 41 K C 0.349 176.992 176.600 0.070 0.000 1.026 41 K CA 0.296 56.624 56.287 0.067 0.000 1.119 41 K CB 0.226 32.756 32.500 0.050 0.000 0.856 41 K HN 0.477 nan 8.250 nan 0.000 0.513 42 E N 0.649 120.901 120.200 0.086 0.000 2.195 42 E HA 0.143 4.493 4.350 -0.001 0.000 0.271 42 E C -0.789 175.862 176.600 0.086 0.000 0.923 42 E CA -0.454 55.998 56.400 0.086 0.000 0.790 42 E CB 1.926 31.684 29.700 0.098 0.000 1.155 42 E HN -0.045 nan 8.360 nan 0.000 0.402 43 S N 1.641 117.389 115.700 0.079 0.000 2.593 43 S HA 0.031 4.500 4.470 -0.001 0.000 0.269 43 S C 0.962 175.615 174.600 0.089 0.000 1.334 43 S CA -0.391 57.856 58.200 0.077 0.000 1.015 43 S CB 0.487 63.730 63.200 0.072 0.000 0.912 43 S HN 0.443 nan 8.310 nan 0.000 0.541 44 N N 1.280 120.033 118.700 0.088 0.000 2.223 44 N HA -0.043 4.697 4.740 -0.001 0.000 0.185 44 N C -0.030 175.556 175.510 0.126 0.000 1.016 44 N CA 0.800 53.911 53.050 0.101 0.000 0.863 44 N CB -0.346 38.199 38.487 0.097 0.000 0.983 44 N HN 0.371 nan 8.380 nan 0.000 0.429 45 V N 2.428 122.418 119.914 0.127 0.000 2.311 45 V HA 0.186 4.306 4.120 -0.001 0.000 0.275 45 V C -0.061 176.106 176.094 0.122 0.000 1.022 45 V CA -0.685 61.708 62.300 0.155 0.000 0.830 45 V CB 1.425 33.344 31.823 0.159 0.000 1.012 45 V HN 0.044 nan 8.190 nan 0.000 0.452 46 Q N 3.613 123.485 119.800 0.120 0.000 2.323 46 Q HA 0.258 4.598 4.340 -0.001 0.000 0.257 46 Q C 0.075 176.133 176.000 0.097 0.000 1.022 46 Q CA 0.037 55.900 55.803 0.101 0.000 0.919 46 Q CB 1.137 29.935 28.738 0.100 0.000 1.220 46 Q HN 0.694 nan 8.270 nan 0.000 0.427 47 E N 1.795 122.044 120.200 0.082 0.000 2.217 47 E HA 0.220 4.570 4.350 -0.001 0.000 0.279 47 E C -0.572 176.065 176.600 0.062 0.000 1.068 47 E CA -0.147 56.295 56.400 0.071 0.000 0.882 47 E CB 1.014 30.747 29.700 0.056 0.000 1.039 47 E HN 0.198 nan 8.360 nan 0.000 0.418 48 V N 4.114 124.064 119.914 0.060 0.000 2.715 48 V HA 0.368 4.488 4.120 -0.001 0.000 0.310 48 V C 0.096 176.210 176.094 0.034 0.000 1.054 48 V CA -0.834 61.495 62.300 0.048 0.000 0.928 48 V CB 2.016 33.868 31.823 0.049 0.000 1.007 48 V HN 0.609 nan 8.190 nan 0.000 0.437 49 R N 1.627 122.141 120.500 0.023 0.000 2.407 49 R HA 0.532 4.872 4.340 -0.001 0.000 0.303 49 R C -0.209 176.089 176.300 -0.003 0.000 0.981 49 R CA -0.439 55.667 56.100 0.011 0.000 0.905 49 R CB 1.350 31.655 30.300 0.008 0.000 1.099 49 R HN 0.982 nan 8.270 nan 0.000 0.459 50 C N 2.313 121.609 119.300 -0.007 0.000 2.534 50 C HA 0.545 5.004 4.460 -0.001 0.000 0.385 50 C C -1.845 173.127 174.990 -0.030 0.000 1.264 50 C CA -1.943 57.061 59.018 -0.024 0.000 2.342 50 C CB 0.352 28.081 27.740 -0.017 0.000 2.564 50 C HN 0.578 nan 8.230 nan 0.000 0.603 51 P HA 0.360 nan 4.420 nan 0.000 0.271 51 P C -0.587 176.658 177.300 -0.090 0.000 1.216 51 P CA 0.360 63.418 63.100 -0.070 0.000 0.776 51 P CB 0.994 32.645 31.700 -0.081 0.000 0.881 52 V N 2.404 122.253 119.914 -0.107 0.000 3.012 52 V HA 0.422 4.542 4.120 -0.001 0.000 0.307 52 V C -0.962 175.025 176.094 -0.179 0.000 1.166 52 V CA -0.356 61.861 62.300 -0.138 0.000 0.974 52 V CB 2.724 34.499 31.823 -0.079 0.000 1.040 52 V HN 0.584 nan 8.190 nan 0.000 0.428 53 T N 4.885 119.281 114.554 -0.264 0.000 2.771 53 T HA 0.627 4.977 4.350 -0.001 0.000 0.281 53 T C -0.647 173.957 174.700 -0.160 0.000 0.982 53 T CA -0.283 61.668 62.100 -0.249 0.000 0.978 53 T CB 1.362 70.007 68.868 -0.373 0.000 0.930 53 T HN 0.566 nan 8.240 nan 0.000 0.447 54 V N 3.198 123.024 119.914 -0.147 0.000 2.435 54 V HA 0.502 4.622 4.120 -0.001 0.000 0.290 54 V C -0.063 175.938 176.094 -0.155 0.000 1.030 54 V CA -0.730 61.483 62.300 -0.144 0.000 0.881 54 V CB 1.133 32.884 31.823 -0.119 0.000 0.983 54 V HN 1.052 nan 8.190 nan 0.000 0.445 55 C N 3.271 122.432 119.300 -0.230 0.000 2.634 55 C HA 0.939 5.399 4.460 -0.001 0.000 0.313 55 C C 0.935 175.869 174.990 -0.095 0.000 1.198 55 C CA -0.567 58.328 59.018 -0.205 0.000 1.605 55 C CB 1.208 28.663 27.740 -0.475 0.000 2.196 55 C HN 1.048 nan 8.230 nan 0.000 0.486 56 G N 0.079 108.834 108.800 -0.075 0.000 2.857 56 G HA2 0.537 4.497 3.960 -0.001 0.000 0.217 56 G HA3 0.537 4.497 3.960 -0.001 0.000 0.217 56 G C -1.165 173.606 174.900 -0.216 0.000 1.357 56 G CA -0.435 44.596 45.100 -0.116 0.000 1.033 56 G HN 0.745 nan 8.290 nan 0.000 0.571 57 D N -0.547 119.609 120.400 -0.407 0.000 2.923 57 D HA 0.091 4.730 4.640 -0.001 0.000 0.220 57 D C 1.123 177.089 176.300 -0.556 0.000 1.099 57 D CA 0.324 53.954 54.000 -0.617 0.000 0.807 57 D CB 1.394 41.688 40.800 -0.844 0.000 1.155 57 D HN 0.030 nan 8.370 nan 0.000 0.524 58 V N 2.901 122.576 119.914 -0.399 0.000 3.212 58 V HA -0.054 4.065 4.120 -0.001 0.000 0.244 58 V C 0.504 176.543 176.094 -0.092 0.000 1.151 58 V CA 0.065 62.255 62.300 -0.183 0.000 1.119 58 V CB -0.438 31.357 31.823 -0.047 0.000 0.838 58 V HN 0.761 nan 8.190 nan 0.000 0.470 59 H N 0.575 119.550 119.070 -0.159 0.000 2.591 59 H HA -0.186 4.370 4.556 -0.000 0.000 0.325 59 H C 1.586 176.895 175.328 -0.032 0.000 1.096 59 H CA 0.976 56.948 56.048 -0.127 0.000 1.108 59 H CB -1.415 28.292 29.762 -0.092 0.000 1.590 59 H HN 0.707 nan 8.280 nan 0.000 0.399 60 G N 1.379 110.244 108.800 0.108 0.000 2.269 60 G HA2 -0.370 3.590 3.960 -0.001 0.000 0.277 60 G HA3 -0.370 3.590 3.960 -0.001 0.000 0.277 60 G C 0.487 175.584 174.900 0.328 0.000 1.008 60 G CA 0.788 46.009 45.100 0.202 0.000 0.774 60 G HN 0.648 nan 8.290 nan 0.000 0.511 61 Q N -0.745 119.216 119.800 0.268 0.000 3.006 61 Q HA 0.443 4.782 4.340 -0.001 0.000 0.260 61 Q C 1.286 177.459 176.000 0.288 0.000 1.356 61 Q CA -0.768 55.260 55.803 0.375 0.000 1.070 61 Q CB -0.062 28.840 28.738 0.273 0.000 1.507 61 Q HN 0.499 nan 8.270 nan 0.000 0.568 62 F N 0.986 121.014 119.950 0.131 0.000 2.065 62 F HA -0.305 4.221 4.527 -0.001 0.000 0.298 62 F C 1.448 177.122 175.800 -0.211 0.000 1.112 62 F CA 2.147 60.068 58.000 -0.132 0.000 1.212 62 F CB 0.161 38.956 39.000 -0.341 0.000 0.975 62 F HN 0.549 nan 8.300 nan 0.000 0.476 63 H N -0.480 118.557 119.070 -0.055 0.000 2.456 63 H HA -0.121 4.435 4.556 -0.000 0.000 0.296 63 H C 1.652 176.909 175.328 -0.118 0.000 1.079 63 H CA 1.552 57.504 56.048 -0.161 0.000 1.322 63 H CB -0.389 29.303 29.762 -0.117 0.000 1.388 63 H HN 0.338 nan 8.280 nan 0.000 0.538 64 D N -0.071 120.389 120.400 0.100 0.000 2.289 64 D HA -0.063 4.577 4.640 -0.001 0.000 0.207 64 D C 2.025 178.322 176.300 -0.006 0.000 0.966 64 D CA 0.203 54.289 54.000 0.145 0.000 0.868 64 D CB -0.033 40.925 40.800 0.263 0.000 0.943 64 D HN 0.246 nan 8.370 nan 0.000 0.514 65 L N 0.616 121.724 121.223 -0.193 0.000 2.093 65 L HA -0.063 4.277 4.340 -0.001 0.000 0.208 65 L C 1.943 178.454 176.870 -0.599 0.000 1.085 65 L CA 1.302 55.884 54.840 -0.429 0.000 0.755 65 L CB -0.359 41.431 42.059 -0.448 0.000 0.904 65 L HN -0.147 nan 8.230 nan 0.000 0.435 66 M N -0.750 118.561 119.600 -0.482 0.000 2.159 66 M HA -0.167 4.312 4.480 -0.001 0.000 0.263 66 M C 2.214 178.412 176.300 -0.171 0.000 1.063 66 M CA 1.405 56.541 55.300 -0.274 0.000 1.110 66 M CB -1.139 31.276 32.600 -0.308 0.000 1.374 66 M HN 0.317 nan 8.290 nan 0.000 0.411 67 E N 0.972 121.065 120.200 -0.178 0.000 2.077 67 E HA -0.141 4.209 4.350 -0.001 0.000 0.193 67 E C 2.038 178.362 176.600 -0.459 0.000 0.989 67 E CA 1.002 57.292 56.400 -0.183 0.000 0.800 67 E CB -0.477 29.214 29.700 -0.015 0.000 0.746 67 E HN 0.450 nan 8.360 nan 0.000 0.452 68 L N -0.501 120.336 121.223 -0.643 0.000 1.997 68 L HA -0.238 4.102 4.340 -0.001 0.000 0.216 68 L C 2.077 178.708 176.870 -0.398 0.000 1.074 68 L CA 1.725 56.103 54.840 -0.770 0.000 0.763 68 L CB -0.340 41.351 42.059 -0.613 0.000 0.890 68 L HN 0.163 nan 8.230 nan 0.000 0.434 69 F N 0.126 119.961 119.950 -0.191 0.000 2.171 69 F HA -0.166 4.360 4.527 -0.000 0.000 0.300 69 F C 2.702 178.463 175.800 -0.065 0.000 1.090 69 F CA 1.263 59.212 58.000 -0.085 0.000 1.293 69 F CB -0.804 38.135 39.000 -0.101 0.000 1.013 69 F HN 0.025 nan 8.300 nan 0.000 0.486 70 R N -0.144 120.397 120.500 0.069 0.000 2.127 70 R HA -0.144 4.196 4.340 -0.001 0.000 0.238 70 R C 2.159 178.454 176.300 -0.008 0.000 1.134 70 R CA 1.546 57.658 56.100 0.021 0.000 0.975 70 R CB -0.492 29.802 30.300 -0.009 0.000 0.865 70 R HN 0.311 nan 8.270 nan 0.000 0.447 71 I N -1.248 119.278 120.570 -0.074 0.000 2.494 71 I HA -0.030 4.140 4.170 -0.001 0.000 0.250 71 I C 2.255 178.354 176.117 -0.030 0.000 1.112 71 I CA 1.015 62.266 61.300 -0.081 0.000 1.438 71 I CB -0.043 37.842 38.000 -0.192 0.000 1.111 71 I HN 0.192 nan 8.210 nan 0.000 0.431 72 G N 0.083 108.890 108.800 0.012 0.000 2.777 72 G HA2 0.390 4.350 3.960 -0.001 0.000 0.211 72 G HA3 0.390 4.350 3.960 -0.001 0.000 0.211 72 G C 0.750 175.697 174.900 0.079 0.000 1.149 72 G CA 0.526 45.665 45.100 0.065 0.000 0.785 72 G HN 0.579 nan 8.290 nan 0.000 0.536 73 G N -0.552 108.327 108.800 0.131 0.000 2.675 73 G HA2 0.052 4.011 3.960 -0.001 0.000 0.686 73 G HA3 0.052 4.011 3.960 -0.001 0.000 0.686 73 G C -0.626 174.403 174.900 0.215 0.000 1.215 73 G CA -0.360 44.799 45.100 0.098 0.000 0.777 73 G HN 0.462 nan 8.290 nan 0.000 0.638 74 K N 0.267 120.712 120.400 0.074 0.000 2.154 74 K HA 0.688 5.007 4.320 -0.001 0.000 0.264 74 K C 0.925 177.497 176.600 -0.047 0.000 1.008 74 K CA 0.207 56.463 56.287 -0.051 0.000 0.937 74 K CB 1.180 33.590 32.500 -0.150 0.000 1.002 74 K HN 0.942 nan 8.250 nan 0.000 0.469 75 S N 2.865 118.461 115.700 -0.173 0.000 2.564 75 S HA 0.265 4.735 4.470 -0.001 0.000 0.278 75 S C -1.756 172.631 174.600 -0.356 0.000 1.333 75 S CA -1.206 56.909 58.200 -0.142 0.000 1.048 75 S CB 0.409 63.534 63.200 -0.125 0.000 0.900 75 S HN 0.589 nan 8.310 nan 0.000 0.505 76 P HA 0.212 nan 4.420 nan 0.000 0.268 76 P C 0.220 177.373 177.300 -0.246 0.000 1.329 76 P CA -0.081 62.746 63.100 -0.455 0.000 0.899 76 P CB 0.223 31.414 31.700 -0.848 0.000 1.378 77 D N 0.407 120.688 120.400 -0.198 0.000 2.144 77 D HA -0.052 4.588 4.640 -0.001 0.000 0.199 77 D C 0.308 176.527 176.300 -0.136 0.000 0.984 77 D CA 1.275 55.193 54.000 -0.138 0.000 0.834 77 D CB -0.076 40.659 40.800 -0.107 0.000 0.955 77 D HN 0.180 nan 8.370 nan 0.000 0.465 78 T N 1.311 115.775 114.554 -0.149 0.000 2.749 78 T HA 0.156 4.506 4.350 -0.001 0.000 0.287 78 T C 0.016 174.524 174.700 -0.320 0.000 0.970 78 T CA -0.660 61.266 62.100 -0.289 0.000 0.980 78 T CB 1.375 69.979 68.868 -0.440 0.000 0.924 78 T HN -0.097 nan 8.240 nan 0.000 0.456 79 N N 2.482 121.016 118.700 -0.277 0.000 2.475 79 N HA 0.139 4.879 4.740 -0.001 0.000 0.267 79 N C -1.515 173.842 175.510 -0.255 0.000 1.169 79 N CA 0.257 53.208 53.050 -0.165 0.000 0.947 79 N CB 0.079 38.501 38.487 -0.108 0.000 1.061 79 N HN 0.460 nan 8.380 nan 0.000 0.466 80 Y N 2.307 122.615 120.300 0.013 0.000 2.446 80 Y HA 0.563 5.113 4.550 -0.000 0.000 0.345 80 Y C -0.565 175.333 175.900 -0.003 0.000 0.984 80 Y CA -1.059 57.032 58.100 -0.015 0.000 1.058 80 Y CB 1.674 40.201 38.460 0.111 0.000 1.220 80 Y HN 0.398 nan 8.280 nan 0.000 0.455 81 L N 4.236 125.505 121.223 0.077 0.000 2.441 81 L HA 0.614 4.954 4.340 -0.001 0.000 0.270 81 L C -2.196 174.626 176.870 -0.080 0.000 0.973 81 L CA -0.774 54.101 54.840 0.058 0.000 0.842 81 L CB 0.449 42.522 42.059 0.023 0.000 1.239 81 L HN 0.394 nan 8.230 nan 0.000 0.406 82 F N 5.077 125.110 119.950 0.138 0.000 2.443 82 F HA 0.506 5.033 4.527 -0.001 0.000 0.335 82 F C 1.033 176.906 175.800 0.122 0.000 1.104 82 F CA -0.442 57.647 58.000 0.148 0.000 1.013 82 F CB 2.083 41.229 39.000 0.245 0.000 1.136 82 F HN 0.420 nan 8.300 nan 0.000 0.470 83 M N 2.969 122.691 119.600 0.203 0.000 2.655 83 M HA 0.335 4.814 4.480 -0.001 0.000 0.311 83 M C 0.519 176.812 176.300 -0.012 0.000 1.229 83 M CA -0.086 55.261 55.300 0.078 0.000 0.972 83 M CB -0.176 32.432 32.600 0.014 0.000 1.366 83 M HN 0.867 nan 8.290 nan 0.000 0.500 84 G N 0.431 109.047 108.800 -0.308 0.000 2.660 84 G HA2 -0.166 3.794 3.960 -0.001 0.000 0.247 84 G HA3 -0.166 3.794 3.960 -0.001 0.000 0.247 84 G C -0.691 173.434 174.900 -1.293 0.000 1.328 84 G CA -0.692 43.791 45.100 -1.028 0.000 0.884 84 G HN 0.450 nan 8.290 nan 0.000 0.531 85 D N -1.772 117.846 120.400 -1.303 0.000 2.956 85 D HA -0.145 4.495 4.640 -0.001 0.000 0.240 85 D C 0.659 176.314 176.300 -1.074 0.000 1.141 85 D CA 1.625 54.965 54.000 -1.099 0.000 0.820 85 D CB -1.166 39.048 40.800 -0.977 0.000 0.988 85 D HN 0.698 nan 8.370 nan 0.000 0.417 86 Y N -1.524 118.459 120.300 -0.528 0.000 2.500 86 Y HA 0.195 4.745 4.550 -0.001 0.000 0.270 86 Y C 1.528 177.229 175.900 -0.331 0.000 1.134 86 Y CA 0.141 57.995 58.100 -0.410 0.000 1.293 86 Y CB 0.366 38.599 38.460 -0.377 0.000 1.063 86 Y HN 0.211 nan 8.280 nan 0.000 0.534 87 V N -3.877 115.891 119.914 -0.244 0.000 3.126 87 V HA 0.661 4.781 4.120 -0.001 0.000 0.314 87 V C -0.982 175.164 176.094 0.087 0.000 1.138 87 V CA -1.464 60.744 62.300 -0.152 0.000 1.034 87 V CB 2.152 33.648 31.823 -0.545 0.000 1.075 87 V HN 0.081 nan 8.190 nan 0.000 0.442 88 D N 0.733 121.263 120.400 0.217 0.000 10.737 88 D HA -0.078 4.561 4.640 -0.001 0.000 0.342 88 D C 0.803 177.155 176.300 0.086 0.000 3.138 88 D CA 0.632 54.795 54.000 0.271 0.000 2.684 88 D CB -0.132 40.907 40.800 0.399 0.000 1.221 88 D HN 0.991 nan 8.370 nan 0.000 0.944 89 R N -1.603 118.897 120.500 -0.001 0.000 1.364 89 R HA -0.192 4.147 4.340 -0.001 0.000 0.054 89 R C 1.105 177.153 176.300 -0.419 0.000 0.950 89 R CA 2.240 58.189 56.100 -0.252 0.000 1.972 89 R CB -1.969 28.065 30.300 -0.444 0.000 0.282 89 R HN 0.701 nan 8.270 nan 0.000 0.723 90 G N -0.708 107.932 108.800 -0.267 0.000 2.634 90 G HA2 0.284 4.243 3.960 -0.001 0.000 0.255 90 G HA3 0.284 4.243 3.960 -0.001 0.000 0.255 90 G C 0.056 174.933 174.900 -0.039 0.000 1.205 90 G CA -0.122 44.852 45.100 -0.211 0.000 0.884 90 G HN 0.262 nan 8.290 nan 0.000 0.549 91 Y N -0.888 119.581 120.300 0.282 0.000 2.485 91 Y HA 0.267 4.817 4.550 -0.001 0.000 0.260 91 Y C 0.030 175.657 175.900 -0.455 0.000 1.173 91 Y CA -0.504 57.530 58.100 -0.110 0.000 1.252 91 Y CB 0.142 38.450 38.460 -0.253 0.000 1.123 91 Y HN 0.490 nan 8.280 nan 0.000 0.524 92 Y N -2.371 118.145 120.300 0.360 0.000 2.720 92 Y HA 0.219 4.769 4.550 -0.001 0.000 0.264 92 Y C 1.471 177.491 175.900 0.199 0.000 0.989 92 Y CA -0.480 57.762 58.100 0.236 0.000 1.100 92 Y CB 0.204 38.785 38.460 0.202 0.000 1.196 92 Y HN -0.136 nan 8.280 nan 0.000 0.631 93 S N -0.553 115.336 115.700 0.315 0.000 2.382 93 S HA -0.160 4.310 4.470 -0.001 0.000 0.228 93 S C 2.113 176.850 174.600 0.228 0.000 1.027 93 S CA 1.460 59.817 58.200 0.261 0.000 0.991 93 S CB -0.154 63.276 63.200 0.382 0.000 0.823 93 S HN 0.381 nan 8.310 nan 0.000 0.469 94 V N 1.903 122.001 119.914 0.306 0.000 2.255 94 V HA -0.211 3.909 4.120 -0.001 0.000 0.247 94 V C 2.390 178.557 176.094 0.121 0.000 1.051 94 V CA 1.980 64.426 62.300 0.243 0.000 1.018 94 V CB -0.778 31.210 31.823 0.275 0.000 0.641 94 V HN 0.392 nan 8.190 nan 0.000 0.445 95 E N 0.023 120.278 120.200 0.092 0.000 2.072 95 E HA -0.144 4.205 4.350 -0.001 0.000 0.191 95 E C 2.271 178.943 176.600 0.121 0.000 0.985 95 E CA 1.758 58.145 56.400 -0.022 0.000 0.801 95 E CB -0.602 28.873 29.700 -0.375 0.000 0.750 95 E HN 0.599 nan 8.360 nan 0.000 0.452 96 T N 0.162 114.841 114.554 0.208 0.000 2.674 96 T HA -0.140 4.210 4.350 -0.001 0.000 0.265 96 T C 1.988 176.693 174.700 0.008 0.000 1.039 96 T CA 1.292 63.514 62.100 0.203 0.000 1.150 96 T CB -0.482 68.484 68.868 0.164 0.000 0.864 96 T HN 0.035 nan 8.240 nan 0.000 0.427 97 V N 1.169 121.032 119.914 -0.086 0.000 2.667 97 V HA -0.129 3.991 4.120 -0.001 0.000 0.252 97 V C 2.483 178.510 176.094 -0.111 0.000 1.065 97 V CA 1.929 64.095 62.300 -0.223 0.000 1.083 97 V CB -0.834 30.757 31.823 -0.387 0.000 0.692 97 V HN 0.577 nan 8.190 nan 0.000 0.468 98 T N 0.716 115.263 114.554 -0.012 0.000 2.737 98 T HA -0.162 4.188 4.350 -0.001 0.000 0.265 98 T C 1.777 176.574 174.700 0.162 0.000 1.038 98 T CA 1.871 64.109 62.100 0.229 0.000 1.144 98 T CB -0.321 68.707 68.868 0.266 0.000 0.866 98 T HN 0.390 nan 8.240 nan 0.000 0.434 99 L N 1.046 122.340 121.223 0.120 0.000 2.017 99 L HA 0.074 4.414 4.340 -0.001 0.000 0.208 99 L C 2.129 179.029 176.870 0.049 0.000 1.073 99 L CA 1.586 56.500 54.840 0.123 0.000 0.745 99 L CB -0.789 41.391 42.059 0.202 0.000 0.894 99 L HN 0.231 nan 8.230 nan 0.000 0.432 100 L N -1.672 119.514 121.223 -0.062 0.000 2.083 100 L HA -0.183 4.157 4.340 -0.001 0.000 0.209 100 L C 2.398 179.202 176.870 -0.111 0.000 1.083 100 L CA 0.845 55.564 54.840 -0.202 0.000 0.752 100 L CB -0.565 41.164 42.059 -0.550 0.000 0.899 100 L HN 0.131 nan 8.230 nan 0.000 0.433 101 V N -0.110 119.792 119.914 -0.021 0.000 2.379 101 V HA -0.229 3.890 4.120 -0.001 0.000 0.245 101 V C 2.721 178.875 176.094 0.100 0.000 1.044 101 V CA 1.667 64.011 62.300 0.073 0.000 1.036 101 V CB -0.724 31.221 31.823 0.203 0.000 0.664 101 V HN 0.463 nan 8.190 nan 0.000 0.453 102 A N -0.279 122.616 122.820 0.124 0.000 1.933 102 A HA -0.145 4.175 4.320 -0.001 0.000 0.218 102 A C 2.192 179.818 177.584 0.069 0.000 1.175 102 A CA 1.673 53.790 52.037 0.134 0.000 0.628 102 A CB -0.479 18.627 19.000 0.178 0.000 0.814 102 A HN 0.516 nan 8.150 nan 0.000 0.444 103 L N -1.175 120.094 121.223 0.076 0.000 2.156 103 L HA -0.130 4.210 4.340 -0.001 0.000 0.208 103 L C 2.531 179.480 176.870 0.131 0.000 1.095 103 L CA 1.596 56.509 54.840 0.121 0.000 0.770 103 L CB -0.322 41.811 42.059 0.122 0.000 0.914 103 L HN 0.360 nan 8.230 nan 0.000 0.439 104 K N 0.393 120.849 120.400 0.092 0.000 2.002 104 K HA -0.138 4.182 4.320 -0.001 0.000 0.209 104 K C 1.874 178.516 176.600 0.070 0.000 1.048 104 K CA 1.526 57.870 56.287 0.095 0.000 0.930 104 K CB -0.341 32.204 32.500 0.076 0.000 0.714 104 K HN 0.012 nan 8.250 nan 0.000 0.438 105 V N 0.868 120.814 119.914 0.054 0.000 2.407 105 V HA -0.205 3.915 4.120 -0.001 0.000 0.248 105 V C 2.476 178.541 176.094 -0.049 0.000 1.055 105 V CA 2.114 64.441 62.300 0.045 0.000 1.049 105 V CB -0.567 31.324 31.823 0.113 0.000 0.662 105 V HN 0.314 nan 8.190 nan 0.000 0.455 106 R N -0.409 119.991 120.500 -0.166 0.000 2.093 106 R HA -0.034 4.306 4.340 -0.001 0.000 0.224 106 R C 0.266 176.201 176.300 -0.608 0.000 1.101 106 R CA 1.273 57.084 56.100 -0.480 0.000 0.979 106 R CB 0.003 29.886 30.300 -0.696 0.000 0.877 106 R HN 0.556 nan 8.270 nan 0.000 0.441 107 Y N 0.723 121.032 120.300 0.016 0.000 2.511 107 Y HA 0.288 4.837 4.550 -0.001 0.000 0.356 107 Y C 0.594 176.520 175.900 0.044 0.000 1.002 107 Y CA -0.854 57.260 58.100 0.024 0.000 1.127 107 Y CB 0.339 38.812 38.460 0.022 0.000 1.137 107 Y HN 0.001 nan 8.280 nan 0.000 0.652 108 R N -0.606 119.974 120.500 0.134 0.000 2.117 108 R HA -0.153 4.186 4.340 -0.001 0.000 0.243 108 R C 0.468 176.840 176.300 0.119 0.000 1.143 108 R CA 1.851 58.019 56.100 0.112 0.000 0.968 108 R CB 0.013 30.359 30.300 0.077 0.000 0.863 108 R HN 0.249 nan 8.270 nan 0.000 0.444 109 E N 0.391 120.661 120.200 0.118 0.000 2.358 109 E HA -0.015 4.335 4.350 -0.001 0.000 0.195 109 E C 1.622 178.281 176.600 0.097 0.000 1.010 109 E CA 0.490 56.947 56.400 0.095 0.000 0.856 109 E CB 0.093 29.839 29.700 0.077 0.000 0.795 109 E HN 0.346 nan 8.360 nan 0.000 0.504 110 R N -0.031 120.547 120.500 0.129 0.000 2.308 110 R HA 0.265 4.605 4.340 -0.001 0.000 0.202 110 R C 0.488 176.885 176.300 0.162 0.000 0.898 110 R CA 0.018 56.182 56.100 0.106 0.000 1.046 110 R CB 1.177 31.507 30.300 0.051 0.000 1.026 110 R HN 0.053 nan 8.270 nan 0.000 0.512 111 I N 1.375 122.062 120.570 0.194 0.000 2.466 111 I HA 0.239 4.409 4.170 -0.001 0.000 0.289 111 I C -0.513 175.727 176.117 0.205 0.000 1.026 111 I CA -0.287 61.159 61.300 0.244 0.000 1.078 111 I CB 2.357 40.502 38.000 0.243 0.000 1.249 111 I HN -0.238 nan 8.210 nan 0.000 0.429 112 T N 7.246 121.939 114.554 0.232 0.000 2.786 112 T HA 0.605 4.955 4.350 -0.001 0.000 0.283 112 T C -0.030 174.830 174.700 0.266 0.000 0.992 112 T CA -0.398 61.822 62.100 0.201 0.000 0.954 112 T CB 1.250 70.211 68.868 0.155 0.000 0.934 112 T HN 0.467 nan 8.240 nan 0.000 0.440 113 I N 1.916 122.612 120.570 0.211 0.000 2.389 113 I HA 0.639 4.809 4.170 -0.001 0.000 0.288 113 I C -0.812 175.446 176.117 0.235 0.000 0.999 113 I CA -1.097 60.343 61.300 0.233 0.000 1.129 113 I CB 1.022 39.023 38.000 0.003 0.000 1.288 113 I HN 0.368 nan 8.210 nan 0.000 0.444 114 L N 4.811 126.201 121.223 0.278 0.000 2.358 114 L HA 0.571 4.911 4.340 -0.001 0.000 0.268 114 L C 0.435 177.373 176.870 0.113 0.000 1.032 114 L CA -0.893 54.044 54.840 0.161 0.000 0.805 114 L CB 1.323 43.437 42.059 0.091 0.000 1.253 114 L HN 0.655 nan 8.230 nan 0.000 0.452 115 R N 0.081 120.595 120.500 0.023 0.000 2.298 115 R HA 0.404 4.744 4.340 -0.001 0.000 0.310 115 R C -0.071 176.060 176.300 -0.282 0.000 1.068 115 R CA -0.062 55.982 56.100 -0.093 0.000 0.957 115 R CB 0.898 31.183 30.300 -0.025 0.000 1.003 115 R HN 0.815 nan 8.270 nan 0.000 0.454 116 G N 1.568 110.034 108.800 -0.556 0.000 2.552 116 G HA2 0.007 3.966 3.960 -0.001 0.000 0.318 116 G HA3 0.007 3.966 3.960 -0.001 0.000 0.318 116 G C 0.494 174.975 174.900 -0.698 0.000 1.240 116 G CA -0.672 43.836 45.100 -0.986 0.000 1.002 116 G HN 0.828 nan 8.290 nan 0.000 0.493 117 N N -1.206 117.034 118.700 -0.767 0.000 2.459 117 N HA -0.118 4.622 4.740 -0.001 0.000 0.181 117 N C 1.063 176.329 175.510 -0.407 0.000 1.046 117 N CA 0.938 53.630 53.050 -0.596 0.000 0.904 117 N CB -0.259 37.542 38.487 -1.143 0.000 0.964 117 N HN 0.638 nan 8.380 nan 0.000 0.444 118 H N -0.040 118.779 119.070 -0.419 0.000 2.551 118 H HA 0.141 4.696 4.556 -0.001 0.000 0.266 118 H C 0.015 175.181 175.328 -0.270 0.000 0.977 118 H CA 0.235 56.145 56.048 -0.231 0.000 1.163 118 H CB 0.507 30.172 29.762 -0.162 0.000 1.381 118 H HN 0.259 nan 8.280 nan 0.000 0.581 119 E N 1.138 121.104 120.200 -0.390 0.000 2.346 119 E HA 0.100 4.449 4.350 -0.001 0.000 0.317 119 E C -0.589 175.975 176.600 -0.060 0.000 1.404 119 E CA -0.180 55.822 56.400 -0.664 0.000 1.534 119 E CB 0.179 29.298 29.700 -0.969 0.000 1.309 119 E HN 0.037 nan 8.360 nan 0.000 0.499 120 S N -0.392 115.408 115.700 0.166 0.000 2.546 120 S HA 0.393 4.863 4.470 -0.001 0.000 0.274 120 S C 0.711 175.525 174.600 0.358 0.000 1.121 120 S CA -0.764 57.590 58.200 0.257 0.000 0.887 120 S CB 1.038 64.356 63.200 0.198 0.000 1.094 120 S HN 0.297 nan 8.310 nan 0.000 0.474 121 R N 1.473 122.167 120.500 0.323 0.000 2.082 121 R HA -0.096 4.244 4.340 -0.001 0.000 0.234 121 R C 2.160 178.759 176.300 0.499 0.000 1.136 121 R CA 2.112 58.468 56.100 0.427 0.000 0.935 121 R CB -0.310 30.181 30.300 0.319 0.000 0.842 121 R HN 0.689 nan 8.270 nan 0.000 0.430 122 Q N -0.048 119.949 119.800 0.328 0.000 2.084 122 Q HA -0.182 4.157 4.340 -0.001 0.000 0.202 122 Q C 2.165 178.325 176.000 0.266 0.000 0.978 122 Q CA 1.384 57.336 55.803 0.247 0.000 0.844 122 Q CB -0.116 28.731 28.738 0.181 0.000 0.898 122 Q HN 0.283 nan 8.270 nan 0.000 0.426 123 I N 0.489 121.239 120.570 0.300 0.000 2.315 123 I HA -0.243 3.927 4.170 -0.001 0.000 0.248 123 I C 2.278 178.653 176.117 0.429 0.000 1.117 123 I CA 1.621 63.111 61.300 0.317 0.000 1.404 123 I CB -0.140 37.925 38.000 0.108 0.000 1.071 123 I HN 0.281 nan 8.210 nan 0.000 0.419 124 T N -2.456 112.399 114.554 0.502 0.000 2.995 124 T HA -0.145 4.205 4.350 -0.001 0.000 0.269 124 T C 1.711 176.736 174.700 0.541 0.000 1.091 124 T CA 0.934 63.438 62.100 0.672 0.000 1.128 124 T CB -0.437 69.050 68.868 1.032 0.000 0.891 124 T HN 0.462 nan 8.240 nan 0.000 0.492 125 Q N 0.245 120.248 119.800 0.337 0.000 2.297 125 Q HA 0.056 4.396 4.340 -0.001 0.000 0.204 125 Q C 2.093 178.103 176.000 0.016 0.000 0.962 125 Q CA 0.839 56.644 55.803 0.003 0.000 0.879 125 Q CB -0.016 28.614 28.738 -0.181 0.000 0.947 125 Q HN 0.473 nan 8.270 nan 0.000 0.462 126 V N -1.516 118.449 119.914 0.085 0.000 2.908 126 V HA -0.066 4.054 4.120 -0.001 0.000 0.240 126 V C 0.649 176.652 176.094 -0.151 0.000 1.117 126 V CA 0.812 63.053 62.300 -0.098 0.000 1.133 126 V CB 0.035 31.724 31.823 -0.222 0.000 0.857 126 V HN 0.237 nan 8.190 nan 0.000 0.478 127 Y N 0.884 121.296 120.300 0.187 0.000 2.532 127 Y HA 0.524 5.074 4.550 -0.000 0.000 0.283 127 Y C 1.632 177.643 175.900 0.185 0.000 1.181 127 Y CA 0.609 58.819 58.100 0.183 0.000 1.256 127 Y CB 0.567 39.187 38.460 0.266 0.000 1.112 127 Y HN 0.309 nan 8.280 nan 0.000 0.521 128 G N -0.835 108.144 108.800 0.298 0.000 2.352 128 G HA2 -0.335 3.625 3.960 -0.001 0.000 0.204 128 G HA3 -0.335 3.625 3.960 -0.001 0.000 0.204 128 G C 0.968 176.072 174.900 0.341 0.000 1.004 128 G CA 0.180 45.440 45.100 0.267 0.000 0.648 128 G HN 0.300 nan 8.290 nan 0.000 0.491 129 F N 1.184 121.309 119.950 0.291 0.000 2.102 129 F HA 0.109 4.636 4.527 -0.001 0.000 0.298 129 F C 2.220 178.227 175.800 0.346 0.000 1.105 129 F CA 2.008 60.204 58.000 0.327 0.000 1.239 129 F CB -0.537 38.710 39.000 0.412 0.000 0.991 129 F HN 0.288 nan 8.300 nan 0.000 0.474 130 Y N 1.250 121.597 120.300 0.078 0.000 2.128 130 Y HA -0.251 4.298 4.550 -0.001 0.000 0.284 130 Y C 2.237 178.010 175.900 -0.212 0.000 1.154 130 Y CA 2.260 60.184 58.100 -0.294 0.000 1.149 130 Y CB -0.734 37.432 38.460 -0.491 0.000 0.976 130 Y HN 0.052 nan 8.280 nan 0.000 0.505 131 D N 0.073 120.471 120.400 -0.002 0.000 2.144 131 D HA -0.185 4.454 4.640 -0.001 0.000 0.199 131 D C 2.053 178.298 176.300 -0.092 0.000 0.984 131 D CA 1.522 55.492 54.000 -0.049 0.000 0.834 131 D CB -0.309 40.533 40.800 0.071 0.000 0.955 131 D HN 0.602 nan 8.370 nan 0.000 0.465 132 E N -0.080 120.103 120.200 -0.028 0.000 2.047 132 E HA -0.148 4.202 4.350 -0.001 0.000 0.191 132 E C 2.035 178.597 176.600 -0.063 0.000 0.987 132 E CA 0.937 57.335 56.400 -0.004 0.000 0.799 132 E CB 0.055 29.826 29.700 0.117 0.000 0.752 132 E HN 0.199 nan 8.360 nan 0.000 0.449 133 C N 0.569 119.774 119.300 -0.158 0.000 2.413 133 C HA -0.147 4.312 4.460 -0.001 0.000 0.276 133 C C 2.607 177.556 174.990 -0.069 0.000 1.248 133 C CA 0.411 59.391 59.018 -0.063 0.000 1.742 133 C CB -0.982 26.615 27.740 -0.237 0.000 2.017 133 C HN 0.491 nan 8.230 nan 0.000 0.481 134 L N 1.013 122.059 121.223 -0.295 0.000 2.275 134 L HA -0.055 4.285 4.340 -0.001 0.000 0.215 134 L C 2.561 179.345 176.870 -0.143 0.000 1.119 134 L CA 1.647 56.314 54.840 -0.288 0.000 0.790 134 L CB -0.763 41.000 42.059 -0.493 0.000 0.919 134 L HN 0.315 nan 8.230 nan 0.000 0.443 135 R N -1.060 119.370 120.500 -0.117 0.000 2.075 135 R HA -0.025 4.315 4.340 -0.001 0.000 0.220 135 R C 2.186 178.426 176.300 -0.100 0.000 1.118 135 R CA 0.749 56.795 56.100 -0.090 0.000 0.986 135 R CB -0.032 30.220 30.300 -0.081 0.000 0.884 135 R HN 0.223 nan 8.270 nan 0.000 0.439 136 K N -0.735 119.595 120.400 -0.118 0.000 2.103 136 K HA -0.053 4.266 4.320 -0.001 0.000 0.204 136 K C 0.147 176.491 176.600 -0.426 0.000 1.052 136 K CA 1.052 57.186 56.287 -0.254 0.000 0.945 136 K CB 0.045 32.381 32.500 -0.273 0.000 0.722 136 K HN 0.084 nan 8.250 nan 0.000 0.443 137 Y N -1.119 119.142 120.300 -0.065 0.000 2.565 137 Y HA 0.344 4.894 4.550 -0.000 0.000 0.325 137 Y C 1.554 177.407 175.900 -0.079 0.000 1.221 137 Y CA -0.867 57.197 58.100 -0.060 0.000 1.316 137 Y CB 0.827 39.254 38.460 -0.055 0.000 1.404 137 Y HN -0.108 nan 8.280 nan 0.000 0.527 138 G N -0.355 108.503 108.800 0.097 0.000 3.337 138 G HA2 0.232 4.192 3.960 -0.001 0.000 0.246 138 G HA3 0.232 4.192 3.960 -0.001 0.000 0.246 138 G C -0.571 174.322 174.900 -0.012 0.000 1.131 138 G CA 0.022 45.131 45.100 0.015 0.000 0.773 138 G HN 0.717 nan 8.290 nan 0.000 0.544 139 N N -2.806 115.882 118.700 -0.019 0.000 3.277 139 N HA 0.496 5.236 4.740 -0.001 0.000 0.278 139 N C 0.384 175.818 175.510 -0.126 0.000 1.544 139 N CA -0.133 52.877 53.050 -0.066 0.000 0.869 139 N CB 0.760 39.222 38.487 -0.041 0.000 1.584 139 N HN -0.100 nan 8.380 nan 0.000 0.564 140 A N -0.780 121.969 122.820 -0.118 0.000 2.275 140 A HA 0.176 4.496 4.320 -0.001 0.000 0.212 140 A C 0.874 178.406 177.584 -0.085 0.000 1.201 140 A CA 0.061 52.044 52.037 -0.090 0.000 0.843 140 A CB -0.948 18.078 19.000 0.043 0.000 0.873 140 A HN 0.599 nan 8.150 nan 0.000 0.492 141 N N 0.561 119.115 118.700 -0.243 0.000 2.061 141 N HA -0.166 4.574 4.740 -0.001 0.000 0.193 141 N C 1.552 176.473 175.510 -0.983 0.000 1.030 141 N CA 1.749 54.442 53.050 -0.595 0.000 0.856 141 N CB -0.538 37.665 38.487 -0.474 0.000 1.023 141 N HN 0.248 nan 8.380 nan 0.000 0.424 142 V N -0.283 119.268 119.914 -0.605 0.000 2.358 142 V HA -0.201 3.919 4.120 -0.001 0.000 0.246 142 V C 1.950 177.983 176.094 -0.102 0.000 1.047 142 V CA 1.451 63.493 62.300 -0.430 0.000 1.035 142 V CB -0.662 30.780 31.823 -0.634 0.000 0.658 142 V HN 0.464 nan 8.190 nan 0.000 0.452 143 W N 1.229 122.381 121.300 -0.246 0.000 2.318 143 W HA -0.247 4.413 4.660 0.000 0.000 0.313 143 W C 2.565 179.074 176.519 -0.017 0.000 1.221 143 W CA 2.406 59.681 57.345 -0.116 0.000 1.266 143 W CB -0.222 29.136 29.460 -0.169 0.000 1.150 143 W HN 0.038 nan 8.180 nan 0.000 0.496 144 K N -0.608 119.757 120.400 -0.059 0.000 2.044 144 K HA -0.264 4.055 4.320 -0.001 0.000 0.210 144 K C 1.935 178.368 176.600 -0.278 0.000 1.049 144 K CA 2.111 58.246 56.287 -0.253 0.000 0.927 144 K CB -0.926 31.463 32.500 -0.184 0.000 0.713 144 K HN 0.233 nan 8.250 nan 0.000 0.443 145 Y N -0.350 119.816 120.300 -0.224 0.000 2.200 145 Y HA -0.144 4.406 4.550 -0.000 0.000 0.290 145 Y C 2.218 177.845 175.900 -0.455 0.000 1.137 145 Y CA 0.836 58.731 58.100 -0.341 0.000 1.163 145 Y CB -0.892 37.316 38.460 -0.420 0.000 0.988 145 Y HN 0.017 nan 8.280 nan 0.000 0.518 146 F N 0.235 120.066 119.950 -0.199 0.000 2.163 146 F HA -0.166 4.361 4.527 -0.000 0.000 0.297 146 F C 2.622 177.734 175.800 -1.146 0.000 1.094 146 F CA 1.808 59.512 58.000 -0.495 0.000 1.290 146 F CB -1.241 37.636 39.000 -0.204 0.000 1.017 146 F HN 0.080 nan 8.300 nan 0.000 0.483 147 T N -2.811 111.286 114.554 -0.760 0.000 2.833 147 T HA -0.171 4.179 4.350 -0.001 0.000 0.269 147 T C 1.526 176.001 174.700 -0.377 0.000 1.054 147 T CA 1.514 63.179 62.100 -0.724 0.000 1.135 147 T CB -0.499 67.876 68.868 -0.823 0.000 0.869 147 T HN 0.077 nan 8.240 nan 0.000 0.466 148 D N 0.996 121.228 120.400 -0.280 0.000 2.178 148 D HA 0.014 4.654 4.640 -0.001 0.000 0.201 148 D C 1.887 178.218 176.300 0.052 0.000 0.980 148 D CA 0.509 54.469 54.000 -0.067 0.000 0.842 148 D CB -0.281 40.502 40.800 -0.028 0.000 0.948 148 D HN 0.344 nan 8.370 nan 0.000 0.472 149 L N -0.340 120.832 121.223 -0.085 0.000 2.179 149 L HA -0.022 4.318 4.340 -0.001 0.000 0.208 149 L C 1.730 178.770 176.870 0.283 0.000 1.096 149 L CA 1.039 55.907 54.840 0.045 0.000 0.779 149 L CB -0.351 41.667 42.059 -0.069 0.000 0.922 149 L HN -0.185 nan 8.230 nan 0.000 0.443 150 F N 0.439 120.494 119.950 0.175 0.000 2.202 150 F HA -0.201 4.326 4.527 -0.001 0.000 0.301 150 F C 2.130 178.011 175.800 0.135 0.000 1.082 150 F CA 0.965 59.050 58.000 0.142 0.000 1.313 150 F CB -1.420 37.634 39.000 0.090 0.000 1.024 150 F HN 0.217 nan 8.300 nan 0.000 0.495 151 D N -1.267 119.315 120.400 0.302 0.000 2.221 151 D HA -0.206 4.434 4.640 -0.001 0.000 0.204 151 D C 1.846 178.156 176.300 0.016 0.000 0.982 151 D CA 1.315 55.383 54.000 0.114 0.000 0.857 151 D CB -0.437 40.362 40.800 -0.002 0.000 0.934 151 D HN 0.332 nan 8.370 nan 0.000 0.475 152 Y N -0.038 120.330 120.300 0.112 0.000 2.497 152 Y HA 0.234 4.784 4.550 -0.001 0.000 0.265 152 Y C 0.905 176.868 175.900 0.106 0.000 1.111 152 Y CA -0.289 57.866 58.100 0.092 0.000 1.288 152 Y CB 0.005 38.507 38.460 0.071 0.000 1.082 152 Y HN -0.152 nan 8.280 nan 0.000 0.536 153 L N 4.496 125.885 121.223 0.277 0.000 2.559 153 L HA 0.043 4.383 4.340 -0.001 0.000 0.274 153 L C -1.987 174.973 176.870 0.149 0.000 1.205 153 L CA -1.713 53.253 54.840 0.210 0.000 0.907 153 L CB 0.091 42.277 42.059 0.213 0.000 1.153 153 L HN -0.088 nan 8.230 nan 0.000 0.490 154 P HA -0.024 nan 4.420 nan 0.000 0.267 154 P C 0.483 177.838 177.300 0.092 0.000 1.200 154 P CA 0.017 63.184 63.100 0.111 0.000 0.772 154 P CB 0.790 32.558 31.700 0.114 0.000 0.855 155 L N 0.315 121.589 121.223 0.085 0.000 2.375 155 L HA 0.117 4.456 4.340 -0.001 0.000 0.215 155 L C 1.008 177.910 176.870 0.054 0.000 1.108 155 L CA 1.070 55.951 54.840 0.067 0.000 0.830 155 L CB -0.261 41.846 42.059 0.081 0.000 0.959 155 L HN 0.423 nan 8.230 nan 0.000 0.457 156 T N -0.575 114.026 114.554 0.077 0.000 2.889 156 T HA 0.709 5.059 4.350 -0.001 0.000 0.315 156 T C -1.372 173.383 174.700 0.092 0.000 1.291 156 T CA -0.477 61.661 62.100 0.064 0.000 1.028 156 T CB 2.591 71.594 68.868 0.225 0.000 1.235 156 T HN 0.084 nan 8.240 nan 0.000 0.491 157 A N 1.766 124.615 122.820 0.047 0.000 2.498 157 A HA 0.919 5.238 4.320 -0.001 0.000 0.298 157 A C -1.912 175.770 177.584 0.162 0.000 1.075 157 A CA -0.635 51.460 52.037 0.097 0.000 0.714 157 A CB 1.609 20.645 19.000 0.061 0.000 1.299 157 A HN 0.683 nan 8.150 nan 0.000 0.407 158 L N 2.153 123.479 121.223 0.172 0.000 2.406 158 L HA 0.567 4.906 4.340 -0.001 0.000 0.270 158 L C -1.128 175.811 176.870 0.116 0.000 0.982 158 L CA -0.275 54.682 54.840 0.195 0.000 0.843 158 L CB 1.727 43.903 42.059 0.195 0.000 1.225 158 L HN 0.428 nan 8.230 nan 0.000 0.412 159 V N 4.987 124.963 119.914 0.102 0.000 2.389 159 V HA 0.231 4.351 4.120 -0.001 0.000 0.264 159 V C 0.290 176.420 176.094 0.059 0.000 1.049 159 V CA -0.457 61.882 62.300 0.065 0.000 0.932 159 V CB 0.529 32.380 31.823 0.047 0.000 1.011 159 V HN 0.861 nan 8.190 nan 0.000 0.475 160 D N 4.705 125.132 120.400 0.045 0.000 2.686 160 D HA -0.217 4.423 4.640 -0.001 0.000 0.235 160 D C 1.421 177.741 176.300 0.035 0.000 1.160 160 D CA 1.307 55.327 54.000 0.034 0.000 0.645 160 D CB -0.765 40.050 40.800 0.026 0.000 1.039 160 D HN 1.318 nan 8.370 nan 0.000 0.423 161 G N -0.248 108.576 108.800 0.040 0.000 2.186 161 G HA2 -0.395 3.564 3.960 -0.001 0.000 0.266 161 G HA3 -0.395 3.564 3.960 -0.001 0.000 0.266 161 G C 0.818 175.737 174.900 0.031 0.000 0.982 161 G CA 1.106 46.223 45.100 0.027 0.000 0.670 161 G HN 0.547 nan 8.290 nan 0.000 0.533 162 Q N -1.520 118.315 119.800 0.058 0.000 2.279 162 Q HA 0.364 4.704 4.340 -0.001 0.000 0.261 162 Q C 0.627 176.694 176.000 0.113 0.000 0.796 162 Q CA 0.101 55.944 55.803 0.068 0.000 0.971 162 Q CB 1.112 29.885 28.738 0.058 0.000 1.179 162 Q HN 0.566 nan 8.270 nan 0.000 0.505 163 I N 1.455 122.104 120.570 0.132 0.000 2.382 163 I HA 0.266 4.436 4.170 -0.001 0.000 0.286 163 I C -1.135 175.120 176.117 0.230 0.000 1.002 163 I CA -0.826 60.572 61.300 0.164 0.000 1.135 163 I CB 1.279 39.345 38.000 0.110 0.000 1.288 163 I HN -0.039 nan 8.210 nan 0.000 0.448 164 F N 7.339 127.345 119.950 0.093 0.000 2.385 164 F HA 0.508 5.035 4.527 -0.000 0.000 0.360 164 F C -0.403 175.451 175.800 0.090 0.000 1.122 164 F CA -0.979 57.087 58.000 0.110 0.000 1.090 164 F CB 0.631 39.741 39.000 0.182 0.000 1.150 164 F HN 0.361 nan 8.300 nan 0.000 0.472 165 C N 7.832 126.886 119.300 -0.409 0.000 2.379 165 C HA 0.870 5.330 4.460 -0.001 0.000 0.323 165 C C -0.884 173.809 174.990 -0.495 0.000 1.262 165 C CA -0.689 58.113 59.018 -0.361 0.000 1.581 165 C CB 0.267 27.927 27.740 -0.134 0.000 2.221 165 C HN 0.743 nan 8.230 nan 0.000 0.497 166 L N 0.455 121.442 121.223 -0.393 0.000 2.775 166 L HA 0.530 4.870 4.340 -0.001 0.000 0.263 166 L C 0.469 177.249 176.870 -0.149 0.000 1.017 166 L CA -0.661 54.018 54.840 -0.269 0.000 0.891 166 L CB 0.030 41.880 42.059 -0.348 0.000 1.482 166 L HN 0.599 nan 8.230 nan 0.000 0.410 167 H N 0.234 119.193 119.070 -0.186 0.000 2.299 167 H HA 0.222 4.778 4.556 -0.001 0.000 0.302 167 H C 1.418 176.633 175.328 -0.187 0.000 1.078 167 H CA 2.695 58.628 56.048 -0.192 0.000 1.323 167 H CB 0.212 29.826 29.762 -0.247 0.000 1.381 167 H HN 0.876 nan 8.280 nan 0.000 0.498 168 G N -1.818 106.828 108.800 -0.256 0.000 2.765 168 G HA2 0.465 4.424 3.960 -0.001 0.000 0.218 168 G HA3 0.465 4.424 3.960 -0.001 0.000 0.218 168 G C 0.389 175.269 174.900 -0.034 0.000 1.271 168 G CA 0.408 45.300 45.100 -0.347 0.000 0.865 168 G HN 0.804 nan 8.290 nan 0.000 0.604 169 G N -1.353 107.467 108.800 0.032 0.000 2.335 169 G HA2 0.411 4.371 3.960 -0.001 0.000 0.291 169 G HA3 0.411 4.371 3.960 -0.001 0.000 0.291 169 G C -1.308 173.506 174.900 -0.142 0.000 1.261 169 G CA -0.808 44.361 45.100 0.114 0.000 0.871 169 G HN 0.380 nan 8.290 nan 0.000 0.491 170 L N 0.161 121.011 121.223 -0.622 0.000 2.469 170 L HA 0.744 5.084 4.340 -0.001 0.000 0.253 170 L C 0.683 177.488 176.870 -0.109 0.000 1.143 170 L CA -0.676 53.832 54.840 -0.553 0.000 0.804 170 L CB 1.555 43.029 42.059 -0.975 0.000 1.214 170 L HN 0.555 nan 8.230 nan 0.000 0.476 171 S N -1.010 114.674 115.700 -0.027 0.000 2.536 171 S HA 0.491 4.961 4.470 -0.001 0.000 0.287 171 S C -2.236 172.242 174.600 -0.203 0.000 1.101 171 S CA -1.343 56.826 58.200 -0.052 0.000 0.950 171 S CB 1.850 65.040 63.200 -0.017 0.000 1.056 171 S HN 0.289 nan 8.310 nan 0.000 0.481 172 P HA 0.073 nan 4.420 nan 0.000 0.226 172 P C 0.578 177.673 177.300 -0.341 0.000 1.153 172 P CA 0.646 63.254 63.100 -0.820 0.000 0.777 172 P CB 0.115 30.992 31.700 -1.372 0.000 0.794 173 S N -0.853 114.698 115.700 -0.248 0.000 2.671 173 S HA 0.202 4.672 4.470 -0.001 0.000 0.220 173 S C 0.634 175.179 174.600 -0.092 0.000 0.951 173 S CA 0.183 58.291 58.200 -0.154 0.000 0.932 173 S CB -0.487 62.643 63.200 -0.117 0.000 0.777 173 S HN 0.097 nan 8.310 nan 0.000 0.508 174 I N 0.806 121.376 120.570 0.000 0.000 2.548 174 I HA 0.302 4.472 4.170 -0.001 0.000 0.287 174 I C -0.534 175.776 176.117 0.322 0.000 1.103 174 I CA -0.359 61.037 61.300 0.160 0.000 1.049 174 I CB 2.312 40.431 38.000 0.198 0.000 1.232 174 I HN -0.151 nan 8.210 nan 0.000 0.429 175 D N 2.284 122.953 120.400 0.448 0.000 2.463 175 D HA 0.122 4.762 4.640 -0.001 0.000 0.237 175 D C 0.387 176.796 176.300 0.181 0.000 1.013 175 D CA 1.056 55.281 54.000 0.374 0.000 0.910 175 D CB 0.677 41.645 40.800 0.280 0.000 1.080 175 D HN 0.440 nan 8.370 nan 0.000 0.498 176 T N -0.163 114.464 114.554 0.121 0.000 2.940 176 T HA 0.414 4.763 4.350 -0.001 0.000 0.288 176 T C 1.501 176.111 174.700 -0.150 0.000 1.045 176 T CA -0.651 61.310 62.100 -0.231 0.000 1.018 176 T CB 1.828 70.441 68.868 -0.424 0.000 1.151 176 T HN -0.196 nan 8.240 nan 0.000 0.529 177 L N 0.262 121.343 121.223 -0.237 0.000 2.201 177 L HA -0.035 4.305 4.340 -0.001 0.000 0.212 177 L C 1.872 178.702 176.870 -0.066 0.000 1.105 177 L CA 1.039 55.800 54.840 -0.131 0.000 0.775 177 L CB -0.351 41.603 42.059 -0.174 0.000 0.913 177 L HN 0.600 nan 8.230 nan 0.000 0.440 178 D N -0.978 119.331 120.400 -0.151 0.000 2.264 178 D HA -0.145 4.495 4.640 -0.001 0.000 0.208 178 D C 2.078 178.349 176.300 -0.048 0.000 0.966 178 D CA 0.876 54.805 54.000 -0.118 0.000 0.864 178 D CB -0.009 40.690 40.800 -0.169 0.000 0.933 178 D HN 0.311 nan 8.370 nan 0.000 0.499 179 H N -0.283 118.797 119.070 0.016 0.000 2.457 179 H HA 0.053 4.609 4.556 -0.001 0.000 0.294 179 H C 2.181 177.541 175.328 0.053 0.000 1.064 179 H CA 0.485 56.554 56.048 0.034 0.000 1.330 179 H CB 0.073 29.863 29.762 0.046 0.000 1.395 179 H HN 0.282 nan 8.280 nan 0.000 0.541 180 I N 0.308 120.982 120.570 0.172 0.000 2.333 180 I HA -0.146 4.023 4.170 -0.001 0.000 0.246 180 I C 2.208 178.394 176.117 0.115 0.000 1.106 180 I CA 0.746 62.139 61.300 0.154 0.000 1.411 180 I CB -0.116 37.998 38.000 0.190 0.000 1.082 180 I HN 0.073 nan 8.210 nan 0.000 0.420 181 R N 1.238 121.791 120.500 0.088 0.000 2.237 181 R HA 0.012 4.352 4.340 -0.001 0.000 0.219 181 R C 2.197 178.535 176.300 0.062 0.000 1.080 181 R CA 1.050 57.192 56.100 0.069 0.000 0.995 181 R CB -0.337 29.991 30.300 0.048 0.000 0.875 181 R HN 0.322 nan 8.270 nan 0.000 0.462 182 A N 1.321 124.184 122.820 0.073 0.000 2.067 182 A HA 0.084 4.404 4.320 -0.001 0.000 0.217 182 A C 1.025 178.644 177.584 0.058 0.000 1.156 182 A CA 0.196 52.273 52.037 0.067 0.000 0.683 182 A CB -0.104 18.951 19.000 0.091 0.000 0.808 182 A HN 0.091 nan 8.150 nan 0.000 0.455 183 L N 0.418 121.679 121.223 0.064 0.000 2.467 183 L HA 0.124 4.464 4.340 -0.001 0.000 0.270 183 L C -0.079 176.812 176.870 0.036 0.000 1.205 183 L CA -0.367 54.503 54.840 0.050 0.000 0.828 183 L CB 0.257 42.351 42.059 0.059 0.000 1.101 183 L HN 0.133 nan 8.230 nan 0.000 0.479 184 D N 1.203 121.616 120.400 0.023 0.000 2.428 184 D HA 0.122 4.762 4.640 -0.001 0.000 0.221 184 D C 0.996 177.296 176.300 0.001 0.000 1.123 184 D CA -0.446 53.559 54.000 0.007 0.000 0.869 184 D CB 0.784 41.585 40.800 0.001 0.000 1.032 184 D HN 0.457 nan 8.370 nan 0.000 0.506 185 R N 3.166 123.664 120.500 -0.003 0.000 2.240 185 R HA 0.103 4.443 4.340 -0.001 0.000 0.203 185 R C 0.634 176.903 176.300 -0.051 0.000 1.011 185 R CA 0.209 56.307 56.100 -0.003 0.000 1.007 185 R CB -0.230 30.084 30.300 0.022 0.000 0.911 185 R HN 0.298 nan 8.270 nan 0.000 0.468 186 L N 3.797 124.950 121.223 -0.115 0.000 2.436 186 L HA 0.077 4.416 4.340 -0.001 0.000 0.244 186 L C -0.166 176.617 176.870 -0.145 0.000 1.396 186 L CA 0.156 54.850 54.840 -0.243 0.000 1.217 186 L CB -0.921 40.934 42.059 -0.340 0.000 1.420 186 L HN 0.418 nan 8.230 nan 0.000 0.434 187 Q N -0.830 118.927 119.800 -0.072 0.000 2.687 187 Q HA 0.365 4.704 4.340 -0.001 0.000 0.295 187 Q C -1.073 174.948 176.000 0.035 0.000 0.920 187 Q CA -1.111 54.685 55.803 -0.012 0.000 0.766 187 Q CB 1.345 30.087 28.738 0.007 0.000 1.467 187 Q HN 0.105 nan 8.270 nan 0.000 0.415 188 E N 0.510 120.747 120.200 0.063 0.000 2.413 188 E HA 0.176 4.525 4.350 -0.001 0.000 0.263 188 E C -0.724 175.942 176.600 0.110 0.000 1.015 188 E CA -0.226 56.234 56.400 0.101 0.000 0.916 188 E CB 0.939 30.705 29.700 0.110 0.000 0.947 188 E HN 0.414 nan 8.360 nan 0.000 0.440 189 V N 7.428 127.424 119.914 0.137 0.000 2.506 189 V HA 0.049 4.169 4.120 -0.001 0.000 0.296 189 V C -1.776 174.409 176.094 0.152 0.000 1.004 189 V CA -0.789 61.602 62.300 0.152 0.000 1.150 189 V CB -0.336 31.612 31.823 0.209 0.000 0.911 189 V HN 0.789 nan 8.190 nan 0.000 0.476 190 P HA 0.141 nan 4.420 nan 0.000 0.272 190 P C 0.892 178.215 177.300 0.040 0.000 1.240 190 P CA -0.278 62.875 63.100 0.087 0.000 0.791 190 P CB 0.375 32.060 31.700 -0.025 0.000 0.978 191 H N -0.207 118.839 119.070 -0.040 0.000 2.423 191 H HA 0.121 4.676 4.556 -0.001 0.000 0.297 191 H C 0.127 175.369 175.328 -0.143 0.000 1.075 191 H CA 1.227 57.207 56.048 -0.113 0.000 1.342 191 H CB 0.085 29.792 29.762 -0.091 0.000 1.395 191 H HN 0.439 nan 8.280 nan 0.000 0.530 192 E N -0.680 119.176 120.200 -0.574 0.000 2.450 192 E HA 0.495 4.845 4.350 -0.001 0.000 0.272 192 E C -0.384 176.065 176.600 -0.252 0.000 0.967 192 E CA -0.541 55.641 56.400 -0.364 0.000 0.818 192 E CB 2.819 32.310 29.700 -0.347 0.000 1.401 192 E HN 0.441 nan 8.360 nan 0.000 0.450 193 G N 0.761 109.486 108.800 -0.124 0.000 2.746 193 G HA2 -0.166 3.793 3.960 -0.001 0.000 0.685 193 G HA3 -0.166 3.793 3.960 -0.001 0.000 0.685 193 G C -2.169 172.721 174.900 -0.018 0.000 1.350 193 G CA -0.512 44.544 45.100 -0.072 0.000 0.837 193 G HN 0.384 nan 8.290 nan 0.000 0.564 194 P HA -0.299 nan 4.420 nan 0.000 0.214 194 P C 2.098 179.427 177.300 0.049 0.000 1.172 194 P CA 2.555 65.665 63.100 0.017 0.000 0.925 194 P CB -0.095 31.612 31.700 0.011 0.000 0.793 195 M N -0.814 118.812 119.600 0.044 0.000 2.106 195 M HA -0.218 4.262 4.480 -0.001 0.000 0.259 195 M C 2.453 178.810 176.300 0.094 0.000 1.068 195 M CA 2.092 57.431 55.300 0.065 0.000 1.100 195 M CB -0.800 31.832 32.600 0.053 0.000 1.351 195 M HN 0.041 nan 8.290 nan 0.000 0.404 196 C N 1.454 120.805 119.300 0.086 0.000 2.413 196 C HA -0.202 4.257 4.460 -0.001 0.000 0.278 196 C C 2.180 177.302 174.990 0.220 0.000 1.224 196 C CA 1.894 61.000 59.018 0.147 0.000 1.732 196 C CB -1.256 26.491 27.740 0.011 0.000 2.050 196 C HN 0.633 nan 8.230 nan 0.000 0.463 197 D N 0.645 121.136 120.400 0.151 0.000 2.182 197 D HA -0.125 4.515 4.640 -0.001 0.000 0.201 197 D C 2.122 178.524 176.300 0.170 0.000 0.986 197 D CA 1.276 55.394 54.000 0.196 0.000 0.847 197 D CB -0.549 40.378 40.800 0.211 0.000 0.942 197 D HN 0.565 nan 8.370 nan 0.000 0.467 198 L N -0.107 121.186 121.223 0.116 0.000 2.131 198 L HA -0.172 4.167 4.340 -0.001 0.000 0.210 198 L C 2.032 178.914 176.870 0.019 0.000 1.092 198 L CA 0.561 55.439 54.840 0.064 0.000 0.759 198 L CB -0.137 41.965 42.059 0.071 0.000 0.903 198 L HN 0.046 nan 8.230 nan 0.000 0.435 199 L N -2.760 118.488 121.223 0.042 0.000 2.529 199 L HA -0.000 4.340 4.340 -0.001 0.000 0.223 199 L C 1.392 178.044 176.870 -0.363 0.000 1.113 199 L CA 1.263 56.042 54.840 -0.102 0.000 0.861 199 L CB -0.247 41.760 42.059 -0.088 0.000 1.012 199 L HN 0.233 nan 8.230 nan 0.000 0.461 200 W N -2.058 119.141 121.300 -0.169 0.000 2.904 200 W HA 0.260 4.919 4.660 -0.001 0.000 0.265 200 W C 1.366 177.906 176.519 0.034 0.000 1.138 200 W CA -0.104 57.177 57.345 -0.107 0.000 1.455 200 W CB 0.141 29.624 29.460 0.037 0.000 0.924 200 W HN -0.265 nan 8.180 nan 0.000 0.619 201 S N 1.542 117.410 115.700 0.280 0.000 2.576 201 S HA 0.092 4.561 4.470 -0.001 0.000 0.272 201 S C -0.315 174.530 174.600 0.408 0.000 1.352 201 S CA 0.152 58.594 58.200 0.403 0.000 1.021 201 S CB 0.309 63.803 63.200 0.489 0.000 0.887 201 S HN -0.017 nan 8.310 nan 0.000 0.542 202 D N 1.767 122.388 120.400 0.367 0.000 2.738 202 D HA 0.404 5.044 4.640 -0.001 0.000 0.237 202 D C -2.689 173.400 176.300 -0.351 0.000 1.123 202 D CA -1.330 52.734 54.000 0.106 0.000 0.856 202 D CB 1.934 42.780 40.800 0.077 0.000 1.552 202 D HN 0.187 nan 8.370 nan 0.000 0.480 203 P HA 0.202 nan 4.420 nan 0.000 0.276 203 P C -0.826 176.247 177.300 -0.378 0.000 1.244 203 P CA -0.143 62.366 63.100 -0.984 0.000 0.801 203 P CB 1.275 32.376 31.700 -0.999 0.000 1.006 204 D N -0.750 119.562 120.400 -0.147 0.000 2.759 204 D HA 0.083 4.722 4.640 -0.001 0.000 0.321 204 D C 0.181 176.519 176.300 0.065 0.000 1.267 204 D CA -0.469 53.514 54.000 -0.029 0.000 0.933 204 D CB -0.181 40.598 40.800 -0.035 0.000 1.431 204 D HN 0.302 nan 8.370 nan 0.000 0.504 205 D N -1.017 119.393 120.400 0.016 0.000 2.347 205 D HA -0.059 4.581 4.640 -0.001 0.000 0.213 205 D C 0.618 176.903 176.300 -0.024 0.000 0.985 205 D CA -0.156 53.846 54.000 0.003 0.000 0.879 205 D CB 0.494 41.293 40.800 -0.001 0.000 0.919 205 D HN 0.347 nan 8.370 nan 0.000 0.526 206 R N 1.184 121.674 120.500 -0.016 0.000 2.623 206 R HA 0.277 4.616 4.340 -0.001 0.000 0.271 206 R C 0.430 176.704 176.300 -0.042 0.000 1.043 206 R CA 0.061 56.154 56.100 -0.013 0.000 1.083 206 R CB 0.647 30.958 30.300 0.018 0.000 0.974 206 R HN 0.002 nan 8.270 nan 0.000 0.436 207 G N 1.995 110.773 108.800 -0.037 0.000 2.406 207 G HA2 0.428 4.388 3.960 -0.001 0.000 0.251 207 G HA3 0.428 4.388 3.960 -0.001 0.000 0.251 207 G C 0.230 175.100 174.900 -0.049 0.000 1.271 207 G CA 0.092 45.157 45.100 -0.059 0.000 0.859 207 G HN 1.023 nan 8.290 nan 0.000 0.540 208 G N 1.399 110.132 108.800 -0.112 0.000 2.569 208 G HA2 -0.241 3.719 3.960 -0.001 0.000 0.259 208 G HA3 -0.241 3.719 3.960 -0.001 0.000 0.259 208 G C 0.333 175.136 174.900 -0.161 0.000 1.263 208 G CA 0.216 45.224 45.100 -0.153 0.000 0.928 208 G HN 0.818 nan 8.290 nan 0.000 0.572 209 W N -0.019 121.321 121.300 0.067 0.000 1.833 209 W HA 0.554 5.214 4.660 -0.001 0.000 0.390 209 W C 0.955 177.541 176.519 0.112 0.000 1.680 209 W CA 0.702 58.105 57.345 0.095 0.000 1.828 209 W CB 0.627 30.096 29.460 0.015 0.000 1.357 209 W HN 1.353 nan 8.180 nan 0.000 0.720 210 G N -0.712 108.376 108.800 0.480 0.000 2.411 210 G HA2 0.395 4.355 3.960 -0.001 0.000 0.295 210 G HA3 0.395 4.355 3.960 -0.001 0.000 0.295 210 G C -1.779 173.321 174.900 0.334 0.000 1.542 210 G CA -1.279 44.011 45.100 0.316 0.000 0.814 210 G HN 0.399 nan 8.290 nan 0.000 0.557 211 I N 1.326 122.024 120.570 0.214 0.000 2.618 211 I HA 0.235 4.405 4.170 -0.001 0.000 0.284 211 I C 1.121 177.305 176.117 0.111 0.000 1.146 211 I CA 0.093 61.477 61.300 0.140 0.000 1.425 211 I CB 1.388 39.437 38.000 0.081 0.000 1.383 211 I HN 0.358 nan 8.210 nan 0.000 0.562 212 S N 7.796 123.532 115.700 0.060 0.000 2.523 212 S HA 0.300 4.769 4.470 -0.001 0.000 0.275 212 S C -1.027 173.600 174.600 0.045 0.000 1.281 212 S CA -1.381 56.862 58.200 0.071 0.000 1.050 212 S CB 0.849 64.086 63.200 0.062 0.000 0.937 212 S HN 0.493 nan 8.310 nan 0.000 0.492 213 P HA 0.032 nan 4.420 nan 0.000 0.237 213 P C 0.858 178.195 177.300 0.062 0.000 1.178 213 P CA 0.390 63.519 63.100 0.048 0.000 0.766 213 P CB 0.167 31.893 31.700 0.044 0.000 0.876 214 R N -0.490 120.068 120.500 0.097 0.000 2.148 214 R HA 0.086 4.426 4.340 -0.001 0.000 0.223 214 R C 1.487 177.820 176.300 0.054 0.000 1.088 214 R CA 1.048 57.238 56.100 0.150 0.000 0.985 214 R CB -0.617 29.874 30.300 0.319 0.000 0.880 214 R HN 0.247 nan 8.270 nan 0.000 0.451 215 G N 0.182 108.969 108.800 -0.022 0.000 2.132 215 G HA2 -0.201 3.758 3.960 -0.001 0.000 0.228 215 G HA3 -0.201 3.758 3.960 -0.001 0.000 0.228 215 G C -0.195 174.555 174.900 -0.251 0.000 1.000 215 G CA 0.047 45.080 45.100 -0.112 0.000 0.693 215 G HN 0.647 nan 8.290 nan 0.000 0.515 216 A N -1.466 121.190 122.820 -0.273 0.000 2.582 216 A HA 1.030 5.350 4.320 -0.001 0.000 0.297 216 A C 1.161 178.633 177.584 -0.187 0.000 1.059 216 A CA 1.347 53.115 52.037 -0.448 0.000 0.705 216 A CB 0.752 19.079 19.000 -1.122 0.000 1.279 216 A HN 2.420 nan 8.150 nan 0.000 0.404 217 G N 0.004 108.670 108.800 -0.225 0.000 2.598 217 G HA2 0.106 4.066 3.960 -0.001 0.000 0.244 217 G HA3 0.106 4.066 3.960 -0.001 0.000 0.244 217 G C -0.579 174.149 174.900 -0.286 0.000 1.302 217 G CA 0.474 45.544 45.100 -0.051 0.000 0.903 217 G HN 1.827 nan 8.290 nan 0.000 0.575 218 Y N -0.814 119.624 120.300 0.231 0.000 2.615 218 Y HA 0.636 5.186 4.550 -0.000 0.000 0.341 218 Y C 0.715 176.850 175.900 0.391 0.000 1.089 218 Y CA -0.088 58.182 58.100 0.283 0.000 1.049 218 Y CB 2.175 40.815 38.460 0.299 0.000 1.296 218 Y HN 0.934 nan 8.280 nan 0.000 0.470 219 T N 0.008 114.875 114.554 0.521 0.000 2.749 219 T HA 0.666 5.016 4.350 -0.001 0.000 0.287 219 T C -0.905 174.051 174.700 0.427 0.000 0.970 219 T CA -0.576 61.736 62.100 0.352 0.000 0.980 219 T CB -0.434 68.543 68.868 0.181 0.000 0.924 219 T HN 0.433 nan 8.240 nan 0.000 0.456 220 F N 0.862 120.937 119.950 0.209 0.000 2.480 220 F HA 0.869 5.396 4.527 -0.000 0.000 0.329 220 F C 0.418 176.223 175.800 0.008 0.000 1.091 220 F CA -1.309 56.676 58.000 -0.025 0.000 0.972 220 F CB 0.955 39.827 39.000 -0.212 0.000 1.150 220 F HN 0.815 nan 8.300 nan 0.000 0.467 221 G N 1.012 109.750 108.800 -0.103 0.000 2.537 221 G HA2 0.205 4.165 3.960 -0.001 0.000 0.297 221 G HA3 0.205 4.165 3.960 -0.001 0.000 0.297 221 G C 0.142 174.707 174.900 -0.558 0.000 1.310 221 G CA -0.660 44.262 45.100 -0.296 0.000 1.027 221 G HN 0.912 nan 8.290 nan 0.000 0.505 222 Q N -0.623 118.646 119.800 -0.884 0.000 2.124 222 Q HA -0.167 4.173 4.340 -0.001 0.000 0.202 222 Q C 1.999 177.858 176.000 -0.234 0.000 0.977 222 Q CA 2.070 57.456 55.803 -0.696 0.000 0.850 222 Q CB -0.096 28.380 28.738 -0.436 0.000 0.901 222 Q HN 0.724 nan 8.270 nan 0.000 0.429 223 D N -0.133 120.144 120.400 -0.206 0.000 2.218 223 D HA -0.181 4.459 4.640 -0.001 0.000 0.204 223 D C 1.578 177.810 176.300 -0.114 0.000 0.976 223 D CA 0.800 54.723 54.000 -0.128 0.000 0.853 223 D CB -0.169 40.556 40.800 -0.125 0.000 0.939 223 D HN 0.345 nan 8.370 nan 0.000 0.481 224 I N 1.110 121.574 120.570 -0.177 0.000 2.333 224 I HA -0.158 4.012 4.170 -0.001 0.000 0.246 224 I C 2.569 178.689 176.117 0.004 0.000 1.106 224 I CA 0.732 61.909 61.300 -0.206 0.000 1.411 224 I CB -0.361 37.285 38.000 -0.591 0.000 1.082 224 I HN -0.103 nan 8.210 nan 0.000 0.420 225 S N 0.182 115.961 115.700 0.131 0.000 2.359 225 S HA -0.217 4.253 4.470 -0.001 0.000 0.224 225 S C 1.919 176.650 174.600 0.218 0.000 1.035 225 S CA 1.428 59.781 58.200 0.256 0.000 1.018 225 S CB -0.390 63.064 63.200 0.423 0.000 0.876 225 S HN 0.494 nan 8.310 nan 0.000 0.448 226 E N 0.415 120.695 120.200 0.134 0.000 2.150 226 E HA -0.077 4.273 4.350 -0.001 0.000 0.193 226 E C 2.074 178.747 176.600 0.122 0.000 0.985 226 E CA 1.301 57.769 56.400 0.112 0.000 0.814 226 E CB -0.226 29.502 29.700 0.046 0.000 0.752 226 E HN 0.466 nan 8.360 nan 0.000 0.466 227 T N 0.859 115.480 114.554 0.111 0.000 2.737 227 T HA -0.131 4.219 4.350 -0.001 0.000 0.265 227 T C 1.517 176.318 174.700 0.169 0.000 1.038 227 T CA 0.809 62.984 62.100 0.126 0.000 1.144 227 T CB -0.360 68.568 68.868 0.101 0.000 0.866 227 T HN 0.137 nan 8.240 nan 0.000 0.434 228 F N 2.595 122.569 119.950 0.041 0.000 2.186 228 F HA -0.079 4.447 4.527 -0.000 0.000 0.299 228 F C 2.057 177.865 175.800 0.013 0.000 1.090 228 F CA 0.921 58.932 58.000 0.018 0.000 1.307 228 F CB -0.271 38.733 39.000 0.006 0.000 1.019 228 F HN 0.027 nan 8.300 nan 0.000 0.489 229 N N -0.731 118.083 118.700 0.191 0.000 2.106 229 N HA -0.211 4.528 4.740 -0.001 0.000 0.188 229 N C 2.075 177.604 175.510 0.032 0.000 1.029 229 N CA 1.544 54.661 53.050 0.110 0.000 0.848 229 N CB -0.969 37.630 38.487 0.186 0.000 1.007 229 N HN 0.419 nan 8.380 nan 0.000 0.423 230 H N 0.322 119.386 119.070 -0.010 0.000 2.428 230 H HA 0.123 4.678 4.556 -0.001 0.000 0.296 230 H C 1.348 176.633 175.328 -0.071 0.000 1.062 230 H CA 1.284 57.316 56.048 -0.027 0.000 1.350 230 H CB 0.265 30.024 29.762 -0.005 0.000 1.403 230 H HN 0.171 nan 8.280 nan 0.000 0.533 231 A N 0.179 122.949 122.820 -0.084 0.000 2.119 231 A HA -0.036 4.284 4.320 -0.001 0.000 0.216 231 A C 1.750 179.162 177.584 -0.287 0.000 1.152 231 A CA 0.728 52.664 52.037 -0.169 0.000 0.708 231 A CB -0.030 18.910 19.000 -0.100 0.000 0.805 231 A HN 0.498 nan 8.150 nan 0.000 0.460 232 N N -1.083 117.407 118.700 -0.350 0.000 2.177 232 N HA 0.166 4.906 4.740 -0.001 0.000 0.218 232 N C 0.662 176.018 175.510 -0.257 0.000 1.182 232 N CA 0.585 53.403 53.050 -0.386 0.000 0.882 232 N CB 0.782 38.875 38.487 -0.655 0.000 1.052 232 N HN 0.487 nan 8.380 nan 0.000 0.519 233 G N 1.935 110.609 108.800 -0.210 0.000 2.295 233 G HA2 -0.255 3.705 3.960 -0.001 0.000 0.287 233 G HA3 -0.255 3.705 3.960 -0.001 0.000 0.287 233 G C -0.248 174.609 174.900 -0.071 0.000 1.055 233 G CA 0.292 45.308 45.100 -0.139 0.000 0.922 233 G HN 0.210 nan 8.290 nan 0.000 0.503 234 L N -0.821 120.376 121.223 -0.043 0.000 2.330 234 L HA 0.721 5.060 4.340 -0.001 0.000 0.271 234 L C 1.614 178.536 176.870 0.086 0.000 1.013 234 L CA -0.419 54.443 54.840 0.037 0.000 0.816 234 L CB 1.871 43.973 42.059 0.071 0.000 1.287 234 L HN 0.281 nan 8.230 nan 0.000 0.435 235 T N -1.319 113.303 114.554 0.114 0.000 3.014 235 T HA 0.346 4.696 4.350 -0.001 0.000 0.250 235 T C -0.050 174.753 174.700 0.172 0.000 1.060 235 T CA 0.020 62.198 62.100 0.129 0.000 1.040 235 T CB 0.368 69.306 68.868 0.116 0.000 0.971 235 T HN 0.262 nan 8.240 nan 0.000 0.497 236 L N 0.951 122.293 121.223 0.199 0.000 2.611 236 L HA 0.600 4.940 4.340 -0.001 0.000 0.260 236 L C -1.798 175.221 176.870 0.250 0.000 0.924 236 L CA -0.824 54.152 54.840 0.227 0.000 0.901 236 L CB 2.235 44.424 42.059 0.217 0.000 1.369 236 L HN -0.062 nan 8.230 nan 0.000 0.415 237 V N 3.623 123.691 119.914 0.256 0.000 2.350 237 V HA 0.624 4.744 4.120 -0.001 0.000 0.276 237 V C 0.227 176.381 176.094 0.100 0.000 1.028 237 V CA -0.169 62.276 62.300 0.242 0.000 0.860 237 V CB 1.326 33.325 31.823 0.294 0.000 0.990 237 V HN 0.827 nan 8.190 nan 0.000 0.453 238 S N 6.548 122.257 115.700 0.015 0.000 2.525 238 S HA 0.896 5.365 4.470 -0.001 0.000 0.290 238 S C -0.382 174.155 174.600 -0.105 0.000 1.152 238 S CA -0.705 57.463 58.200 -0.054 0.000 1.072 238 S CB 0.846 64.010 63.200 -0.060 0.000 1.027 238 S HN 0.939 nan 8.310 nan 0.000 0.500 239 R N 1.535 121.973 120.500 -0.103 0.000 2.728 239 R HA 0.824 5.163 4.340 -0.001 0.000 0.274 239 R C -0.678 175.543 176.300 -0.132 0.000 1.030 239 R CA -0.936 55.088 56.100 -0.126 0.000 0.876 239 R CB 0.577 30.820 30.300 -0.095 0.000 1.259 239 R HN 0.635 nan 8.270 nan 0.000 0.468 240 A N -0.272 122.425 122.820 -0.206 0.000 3.708 240 A HA 0.552 4.872 4.320 -0.001 0.000 0.178 240 A C 0.288 177.741 177.584 -0.219 0.000 1.050 240 A CA 0.666 52.587 52.037 -0.195 0.000 1.245 240 A CB -0.386 18.490 19.000 -0.206 0.000 1.600 240 A HN 1.183 nan 8.150 nan 0.000 0.697 241 H N -1.818 116.969 119.070 -0.472 0.000 4.668 241 H HA -0.148 4.408 4.556 -0.000 0.000 0.095 241 H C 0.159 175.418 175.328 -0.114 0.000 0.599 241 H CA 2.063 57.853 56.048 -0.430 0.000 1.148 241 H CB -1.031 28.365 29.762 -0.610 0.000 0.502 241 H HN 0.580 nan 8.280 nan 0.000 0.702 242 Q N 0.607 120.323 119.800 -0.140 0.000 2.312 242 Q HA 0.434 4.774 4.340 -0.001 0.000 0.263 242 Q C -0.617 175.089 176.000 -0.490 0.000 0.995 242 Q CA -0.876 54.761 55.803 -0.277 0.000 0.853 242 Q CB 2.328 30.933 28.738 -0.222 0.000 1.300 242 Q HN 0.293 nan 8.270 nan 0.000 0.448 243 L N 4.034 124.772 121.223 -0.808 0.000 2.584 243 L HA 0.080 4.419 4.340 -0.001 0.000 0.272 243 L C -0.870 175.558 176.870 -0.736 0.000 1.195 243 L CA 0.346 54.413 54.840 -1.288 0.000 0.920 243 L CB 0.316 41.863 42.059 -0.854 0.000 1.173 243 L HN 0.395 nan 8.230 nan 0.000 0.489 244 V N 4.517 124.015 119.914 -0.693 0.000 2.540 244 V HA 0.382 4.501 4.120 -0.001 0.000 0.302 244 V C 1.038 176.945 176.094 -0.313 0.000 1.035 244 V CA -0.845 61.226 62.300 -0.381 0.000 0.873 244 V CB 1.762 33.418 31.823 -0.279 0.000 0.992 244 V HN 0.839 nan 8.190 nan 0.000 0.428 245 M N 1.671 121.124 119.600 -0.246 0.000 2.213 245 M HA 0.016 4.496 4.480 -0.001 0.000 0.263 245 M C 1.594 177.800 176.300 -0.157 0.000 1.062 245 M CA 1.584 56.776 55.300 -0.182 0.000 1.105 245 M CB -0.923 31.591 32.600 -0.143 0.000 1.385 245 M HN 0.860 nan 8.290 nan 0.000 0.417 246 E N -0.935 119.147 120.200 -0.197 0.000 2.465 246 E HA 0.231 4.580 4.350 -0.001 0.000 0.191 246 E C 1.247 177.743 176.600 -0.174 0.000 1.053 246 E CA 0.323 56.602 56.400 -0.201 0.000 0.869 246 E CB 0.183 29.711 29.700 -0.287 0.000 0.977 246 E HN 0.659 nan 8.360 nan 0.000 0.483 247 G N 1.268 109.990 108.800 -0.130 0.000 2.317 247 G HA2 -0.306 3.654 3.960 -0.001 0.000 0.227 247 G HA3 -0.306 3.654 3.960 -0.001 0.000 0.227 247 G C -0.093 174.843 174.900 0.060 0.000 1.042 247 G CA 0.535 45.632 45.100 -0.005 0.000 0.623 247 G HN 0.343 nan 8.290 nan 0.000 0.509 248 Y N -0.375 119.788 120.300 -0.228 0.000 2.609 248 Y HA 0.790 5.339 4.550 -0.001 0.000 0.336 248 Y C -1.079 174.569 175.900 -0.420 0.000 1.129 248 Y CA -1.541 56.336 58.100 -0.371 0.000 1.040 248 Y CB 1.202 39.274 38.460 -0.648 0.000 1.310 248 Y HN 0.356 nan 8.280 nan 0.000 0.460 249 N N 1.533 119.988 118.700 -0.408 0.000 2.503 249 N HA 0.298 5.037 4.740 -0.001 0.000 0.287 249 N C -2.329 173.007 175.510 -0.290 0.000 1.096 249 N CA -0.593 52.231 53.050 -0.377 0.000 0.936 249 N CB 1.216 39.541 38.487 -0.270 0.000 1.570 249 N HN 0.752 nan 8.380 nan 0.000 0.504 250 W N 3.486 124.722 121.300 -0.108 0.000 2.218 250 W HA 0.477 5.136 4.660 -0.000 0.000 0.326 250 W C 0.744 177.219 176.519 -0.072 0.000 1.276 250 W CA -0.308 57.003 57.345 -0.056 0.000 1.210 250 W CB 0.594 30.043 29.460 -0.019 0.000 1.143 250 W HN 0.609 nan 8.180 nan 0.000 0.563 251 C N -0.601 118.806 119.300 0.177 0.000 3.323 251 C HA 0.547 5.007 4.460 -0.001 0.000 0.324 251 C C -0.189 174.914 174.990 0.188 0.000 1.428 251 C CA -0.973 58.102 59.018 0.095 0.000 1.368 251 C CB 1.356 29.047 27.740 -0.083 0.000 1.731 251 C HN 0.997 nan 8.230 nan 0.000 0.455 252 H N 0.332 119.435 119.070 0.055 0.000 2.826 252 H HA -0.129 4.427 4.556 -0.000 0.000 0.306 252 H C -0.355 175.015 175.328 0.069 0.000 1.235 252 H CA 0.779 56.859 56.048 0.053 0.000 1.150 252 H CB -1.301 28.503 29.762 0.070 0.000 1.409 252 H HN 1.008 nan 8.280 nan 0.000 0.420 253 D N 0.459 120.954 120.400 0.158 0.000 2.697 253 D HA -0.229 4.411 4.640 -0.001 0.000 0.235 253 D C 0.475 176.830 176.300 0.092 0.000 1.167 253 D CA 1.449 55.502 54.000 0.087 0.000 0.656 253 D CB -0.502 40.328 40.800 0.051 0.000 1.025 253 D HN 0.706 nan 8.370 nan 0.000 0.419 254 R N -1.950 118.635 120.500 0.142 0.000 4.000 254 R HA -0.276 4.063 4.340 -0.001 0.000 0.362 254 R C 0.820 177.276 176.300 0.260 0.000 1.183 254 R CA 1.069 57.271 56.100 0.170 0.000 1.011 254 R CB -2.011 28.186 30.300 -0.171 0.000 1.501 254 R HN 0.474 nan 8.270 nan 0.000 0.553 255 N N 0.507 119.358 118.700 0.251 0.000 2.300 255 N HA -0.017 4.722 4.740 -0.001 0.000 0.179 255 N C 0.562 176.238 175.510 0.276 0.000 1.016 255 N CA 1.091 54.295 53.050 0.258 0.000 0.876 255 N CB 0.391 39.033 38.487 0.258 0.000 0.979 255 N HN -0.037 nan 8.380 nan 0.000 0.432 256 V N 0.910 120.974 119.914 0.250 0.000 2.769 256 V HA 0.445 4.565 4.120 -0.001 0.000 0.312 256 V C -0.410 175.743 176.094 0.099 0.000 1.061 256 V CA -0.743 61.643 62.300 0.144 0.000 0.931 256 V CB 2.722 34.549 31.823 0.007 0.000 1.010 256 V HN -0.251 nan 8.190 nan 0.000 0.433 257 V N 2.952 122.840 119.914 -0.043 0.000 2.760 257 V HA 0.662 4.782 4.120 -0.001 0.000 0.309 257 V C -0.351 175.621 176.094 -0.203 0.000 1.077 257 V CA 0.016 62.155 62.300 -0.269 0.000 0.910 257 V CB 2.787 34.194 31.823 -0.694 0.000 1.008 257 V HN 0.995 nan 8.190 nan 0.000 0.424 258 T N 7.523 121.947 114.554 -0.216 0.000 2.771 258 T HA 0.666 5.016 4.350 -0.001 0.000 0.281 258 T C -0.623 174.020 174.700 -0.095 0.000 0.982 258 T CA -0.012 62.002 62.100 -0.143 0.000 0.978 258 T CB 0.975 69.757 68.868 -0.143 0.000 0.930 258 T HN 0.435 nan 8.240 nan 0.000 0.447 259 I N 3.465 124.011 120.570 -0.039 0.000 2.378 259 I HA 0.491 4.661 4.170 -0.001 0.000 0.291 259 I C -0.835 175.317 176.117 0.059 0.000 0.992 259 I CA -0.578 60.741 61.300 0.031 0.000 1.154 259 I CB 1.233 39.248 38.000 0.024 0.000 1.315 259 I HN 0.534 nan 8.210 nan 0.000 0.448 260 F N 4.889 124.784 119.950 -0.091 0.000 2.477 260 F HA 0.443 4.970 4.527 -0.001 0.000 0.335 260 F C 0.424 176.162 175.800 -0.103 0.000 1.130 260 F CA -0.048 57.871 58.000 -0.134 0.000 0.948 260 F CB 1.751 40.629 39.000 -0.202 0.000 1.154 260 F HN 0.404 nan 8.300 nan 0.000 0.439 261 S N 4.191 119.639 115.700 -0.419 0.000 2.664 261 S HA 0.442 4.912 4.470 -0.001 0.000 0.245 261 S C 0.031 174.509 174.600 -0.202 0.000 1.019 261 S CA -0.108 57.987 58.200 -0.175 0.000 0.996 261 S CB 0.443 63.638 63.200 -0.008 0.000 0.878 261 S HN 0.639 nan 8.310 nan 0.000 0.493 262 A N 3.732 126.321 122.820 -0.386 0.000 2.394 262 A HA 0.644 4.963 4.320 -0.001 0.000 0.333 262 A C -2.835 174.780 177.584 0.052 0.000 1.397 262 A CA -1.894 50.071 52.037 -0.120 0.000 0.884 262 A CB 0.461 19.403 19.000 -0.098 0.000 1.147 262 A HN 0.101 nan 8.150 nan 0.000 0.505 263 P HA 0.067 nan 4.420 nan 0.000 0.275 263 P C 0.046 177.412 177.300 0.109 0.000 1.228 263 P CA -0.008 63.072 63.100 -0.033 0.000 0.786 263 P CB 0.404 32.014 31.700 -0.151 0.000 0.927 264 N N 1.030 119.793 118.700 0.105 0.000 2.686 264 N HA -0.271 4.469 4.740 -0.001 0.000 0.261 264 N C -0.810 174.790 175.510 0.150 0.000 1.001 264 N CA 0.447 53.578 53.050 0.135 0.000 0.764 264 N CB -2.046 36.538 38.487 0.162 0.000 0.898 264 N HN 0.516 nan 8.380 nan 0.000 0.544 265 Y N 0.828 121.134 120.300 0.011 0.000 2.987 265 Y HA -0.115 4.435 4.550 0.000 0.000 0.339 265 Y C 1.792 177.585 175.900 -0.178 0.000 1.272 265 Y CA 0.802 58.877 58.100 -0.042 0.000 1.562 265 Y CB 0.149 38.633 38.460 0.039 0.000 1.253 265 Y HN 0.551 nan 8.280 nan 0.000 0.604 266 C N 3.963 122.829 119.300 -0.723 0.000 4.378 266 C HA -0.336 4.124 4.460 -0.001 0.000 0.279 266 C C 0.383 175.045 174.990 -0.546 0.000 1.481 266 C CA 0.776 59.307 59.018 -0.811 0.000 1.849 266 C CB -3.378 23.899 27.740 -0.771 0.000 1.542 266 C HN 1.163 nan 8.230 nan 0.000 0.743 267 Y N -2.455 117.791 120.300 -0.091 0.000 4.272 267 Y HA -0.336 4.214 4.550 -0.001 0.000 0.232 267 Y C 1.444 177.342 175.900 -0.004 0.000 1.149 267 Y CA 1.151 59.250 58.100 -0.001 0.000 1.961 267 Y CB -1.636 36.849 38.460 0.042 0.000 1.611 267 Y HN 0.652 nan 8.280 nan 0.000 0.682 268 R N -2.161 118.359 120.500 0.033 0.000 2.562 268 R HA 0.141 4.481 4.340 -0.001 0.000 0.191 268 R C 1.678 178.005 176.300 0.046 0.000 0.835 268 R CA 0.719 56.838 56.100 0.032 0.000 1.036 268 R CB -0.398 29.817 30.300 -0.143 0.000 1.437 268 R HN 0.337 nan 8.270 nan 0.000 0.654 269 C N 0.408 119.717 119.300 0.015 0.000 2.425 269 C HA 0.041 4.501 4.460 -0.001 0.000 0.277 269 C C 1.762 176.770 174.990 0.030 0.000 1.280 269 C CA 1.356 60.390 59.018 0.026 0.000 1.744 269 C CB -0.801 26.976 27.740 0.062 0.000 1.989 269 C HN 0.903 nan 8.230 nan 0.000 0.491 270 G N 1.481 110.310 108.800 0.048 0.000 2.157 270 G HA2 -0.241 3.718 3.960 -0.001 0.000 0.248 270 G HA3 -0.241 3.718 3.960 -0.001 0.000 0.248 270 G C -0.026 174.879 174.900 0.009 0.000 0.979 270 G CA 0.283 45.405 45.100 0.036 0.000 0.650 270 G HN 0.747 nan 8.290 nan 0.000 0.529 271 N N 0.474 119.174 118.700 -0.000 0.000 2.482 271 N HA 0.212 4.952 4.740 -0.001 0.000 0.260 271 N C 0.088 175.575 175.510 -0.038 0.000 1.236 271 N CA 0.026 53.052 53.050 -0.040 0.000 0.938 271 N CB 0.785 39.224 38.487 -0.080 0.000 1.128 271 N HN 0.525 nan 8.380 nan 0.000 0.448 272 Q N -0.060 119.701 119.800 -0.066 0.000 2.394 272 Q HA 0.432 4.771 4.340 -0.001 0.000 0.248 272 Q C -0.336 175.577 176.000 -0.145 0.000 0.992 272 Q CA -0.460 55.282 55.803 -0.101 0.000 0.888 272 Q CB 0.985 29.683 28.738 -0.067 0.000 1.257 272 Q HN 0.767 nan 8.270 nan 0.000 0.462 273 A N 0.859 123.461 122.820 -0.363 0.000 2.320 273 A HA 0.847 5.167 4.320 -0.001 0.000 0.334 273 A C -1.070 176.303 177.584 -0.351 0.000 1.147 273 A CA -0.257 51.505 52.037 -0.458 0.000 0.820 273 A CB 1.321 19.760 19.000 -0.935 0.000 1.218 273 A HN 0.719 nan 8.150 nan 0.000 0.482 274 A N 0.644 123.450 122.820 -0.022 0.000 2.515 274 A HA 0.826 5.145 4.320 -0.001 0.000 0.296 274 A C -0.624 177.130 177.584 0.283 0.000 1.094 274 A CA -0.467 51.704 52.037 0.224 0.000 0.718 274 A CB 0.953 20.145 19.000 0.320 0.000 1.307 274 A HN 1.565 nan 8.150 nan 0.000 0.408 275 I N -1.747 118.995 120.570 0.287 0.000 2.730 275 I HA 0.668 4.838 4.170 -0.001 0.000 0.298 275 I C -0.606 175.519 176.117 0.014 0.000 1.089 275 I CA -0.872 60.510 61.300 0.137 0.000 1.041 275 I CB 2.231 40.291 38.000 0.100 0.000 1.235 275 I HN 0.704 nan 8.210 nan 0.000 0.423 276 M N 4.694 124.216 119.600 -0.131 0.000 2.047 276 M HA 0.392 4.871 4.480 -0.001 0.000 0.342 276 M C -0.652 175.464 176.300 -0.305 0.000 1.058 276 M CA -0.189 54.852 55.300 -0.431 0.000 0.991 276 M CB 0.699 32.987 32.600 -0.520 0.000 1.474 276 M HN 0.650 nan 8.290 nan 0.000 0.419 277 E N 5.098 125.125 120.200 -0.287 0.000 2.338 277 E HA 0.307 4.657 4.350 -0.001 0.000 0.272 277 E C -1.217 175.278 176.600 -0.174 0.000 1.029 277 E CA -0.101 56.179 56.400 -0.201 0.000 0.872 277 E CB 1.217 30.822 29.700 -0.158 0.000 1.015 277 E HN 0.680 nan 8.360 nan 0.000 0.417 278 L N 3.902 125.048 121.223 -0.128 0.000 2.325 278 L HA 0.223 4.563 4.340 -0.001 0.000 0.281 278 L C 0.366 177.193 176.870 -0.072 0.000 1.004 278 L CA -1.002 53.794 54.840 -0.073 0.000 0.823 278 L CB 1.112 43.143 42.059 -0.047 0.000 1.236 278 L HN 0.587 nan 8.230 nan 0.000 0.415 279 D N 0.743 121.107 120.400 -0.059 0.000 2.348 279 D HA -0.007 4.632 4.640 -0.001 0.000 0.272 279 D C 0.365 176.640 176.300 -0.042 0.000 1.237 279 D CA -0.276 53.689 54.000 -0.058 0.000 1.042 279 D CB 0.511 41.276 40.800 -0.058 0.000 1.117 279 D HN 0.483 nan 8.370 nan 0.000 0.548 280 D N -1.863 118.514 120.400 -0.039 0.000 2.264 280 D HA -0.031 4.609 4.640 -0.001 0.000 0.208 280 D C 0.644 176.933 176.300 -0.018 0.000 0.966 280 D CA 1.632 55.615 54.000 -0.029 0.000 0.864 280 D CB -0.143 40.640 40.800 -0.028 0.000 0.933 280 D HN 0.555 nan 8.370 nan 0.000 0.499 281 T N -2.174 112.370 114.554 -0.017 0.000 3.355 281 T HA 0.337 4.687 4.350 -0.001 0.000 0.276 281 T C 0.844 175.547 174.700 0.004 0.000 1.003 281 T CA -0.493 61.603 62.100 -0.007 0.000 0.943 281 T CB -0.421 68.441 68.868 -0.010 0.000 1.158 281 T HN 0.109 nan 8.240 nan 0.000 0.513 282 L N -0.848 120.380 121.223 0.008 0.000 4.555 282 L HA -0.221 4.118 4.340 -0.001 0.000 0.431 282 L C 0.359 177.262 176.870 0.056 0.000 1.136 282 L CA 0.808 55.668 54.840 0.033 0.000 0.972 282 L CB -1.320 40.769 42.059 0.050 0.000 1.999 282 L HN 0.487 nan 8.230 nan 0.000 0.900 283 K N 0.993 121.400 120.400 0.012 0.000 2.368 283 K HA 0.265 4.584 4.320 -0.001 0.000 0.282 283 K C -0.036 176.545 176.600 -0.031 0.000 1.035 283 K CA -0.123 56.147 56.287 -0.028 0.000 0.973 283 K CB 0.586 33.034 32.500 -0.087 0.000 0.957 283 K HN 0.163 nan 8.250 nan 0.000 0.474 284 Y N -0.575 119.707 120.300 -0.030 0.000 2.453 284 Y HA 0.593 5.142 4.550 -0.001 0.000 0.326 284 Y C -0.225 175.590 175.900 -0.140 0.000 1.186 284 Y CA -1.023 57.006 58.100 -0.118 0.000 1.200 284 Y CB 1.374 39.783 38.460 -0.085 0.000 1.247 284 Y HN 0.583 nan 8.280 nan 0.000 0.482 285 S N 1.075 116.709 115.700 -0.110 0.000 2.565 285 S HA 0.717 5.186 4.470 -0.001 0.000 0.269 285 S C -1.777 172.603 174.600 -0.367 0.000 1.153 285 S CA -0.985 57.153 58.200 -0.104 0.000 0.835 285 S CB 1.026 64.179 63.200 -0.078 0.000 1.122 285 S HN 0.586 nan 8.310 nan 0.000 0.462 286 F N 0.422 120.352 119.950 -0.034 0.000 2.508 286 F HA 0.651 5.177 4.527 -0.001 0.000 0.325 286 F C -0.406 175.375 175.800 -0.031 0.000 1.090 286 F CA -0.894 57.006 58.000 -0.167 0.000 0.945 286 F CB 1.845 40.470 39.000 -0.625 0.000 1.156 286 F HN 0.441 nan 8.300 nan 0.000 0.463 287 L N 3.443 124.781 121.223 0.191 0.000 2.324 287 L HA 0.406 4.745 4.340 -0.001 0.000 0.274 287 L C -0.505 176.560 176.870 0.325 0.000 1.012 287 L CA -0.560 54.404 54.840 0.207 0.000 0.859 287 L CB 1.266 43.403 42.059 0.130 0.000 1.224 287 L HN 0.598 nan 8.230 nan 0.000 0.429 288 Q N 3.489 123.468 119.800 0.300 0.000 2.299 288 Q HA 0.605 4.945 4.340 -0.001 0.000 0.246 288 Q C -1.025 175.188 176.000 0.355 0.000 0.935 288 Q CA -0.120 55.848 55.803 0.275 0.000 0.887 288 Q CB 1.622 30.479 28.738 0.198 0.000 1.223 288 Q HN 0.499 nan 8.270 nan 0.000 0.439 289 F N -1.577 118.426 119.950 0.089 0.000 2.678 289 F HA 0.489 5.016 4.527 -0.001 0.000 0.308 289 F C -1.279 174.565 175.800 0.074 0.000 1.118 289 F CA -1.261 56.782 58.000 0.071 0.000 0.959 289 F CB 1.323 40.356 39.000 0.057 0.000 1.305 289 F HN 0.285 nan 8.300 nan 0.000 0.443 290 D N 1.876 122.381 120.400 0.176 0.000 2.478 290 D HA 0.399 5.039 4.640 -0.001 0.000 0.263 290 D C -2.586 173.839 176.300 0.208 0.000 1.153 290 D CA -1.110 52.948 54.000 0.097 0.000 1.038 290 D CB 1.425 42.285 40.800 0.099 0.000 1.120 290 D HN 0.307 nan 8.370 nan 0.000 0.564 291 P HA 0.136 nan 4.420 nan 0.000 0.272 291 P C -0.853 176.562 177.300 0.191 0.000 1.223 291 P CA -0.285 62.942 63.100 0.212 0.000 0.784 291 P CB 0.430 32.250 31.700 0.200 0.000 0.923 292 A N 4.024 126.957 122.820 0.189 0.000 2.445 292 A HA 0.437 4.757 4.320 -0.001 0.000 0.242 292 A C -1.894 175.765 177.584 0.126 0.000 1.075 292 A CA -0.821 51.302 52.037 0.143 0.000 0.777 292 A CB -1.448 17.631 19.000 0.132 0.000 1.013 292 A HN 0.429 nan 8.150 nan 0.000 0.493 300 V N 2.203 121.966 119.914 -0.253 0.000 2.469 300 V HA -0.175 3.945 4.120 -0.001 0.000 0.251 300 V C 1.755 177.626 176.094 -0.372 0.000 1.064 300 V CA 2.296 64.451 62.300 -0.242 0.000 1.066 300 V CB -1.091 30.665 31.823 -0.112 0.000 0.667 300 V HN 0.715 nan 8.190 nan 0.000 0.461 301 T N -1.902 112.263 114.554 -0.647 0.000 3.100 301 T HA 0.125 4.475 4.350 -0.001 0.000 0.253 301 T C 1.074 175.509 174.700 -0.442 0.000 1.118 301 T CA -0.042 61.789 62.100 -0.449 0.000 1.058 301 T CB -0.356 68.397 68.868 -0.192 0.000 0.953 301 T HN 0.606 nan 8.240 nan 0.000 0.515 302 R N 2.101 122.168 120.500 -0.722 0.000 2.502 302 R HA 0.121 4.461 4.340 -0.001 0.000 0.292 302 R C -0.280 175.933 176.300 -0.145 0.000 0.998 302 R CA -0.059 55.914 56.100 -0.211 0.000 1.056 302 R CB 0.365 30.573 30.300 -0.154 0.000 0.939 302 R HN 0.322 nan 8.270 nan 0.000 0.411 303 R N 2.123 122.572 120.500 -0.084 0.000 2.500 303 R HA 0.168 4.507 4.340 -0.001 0.000 0.277 303 R C -0.075 176.220 176.300 -0.008 0.000 1.026 303 R CA -0.536 55.511 56.100 -0.089 0.000 1.058 303 R CB 1.154 31.366 30.300 -0.146 0.000 1.078 303 R HN 0.614 nan 8.270 nan 0.000 0.509 304 T N 3.812 118.386 114.554 0.032 0.000 2.946 304 T HA 0.036 4.386 4.350 -0.001 0.000 0.312 304 T C -1.729 173.112 174.700 0.235 0.000 1.066 304 T CA -0.779 61.398 62.100 0.128 0.000 1.138 304 T CB -0.017 68.922 68.868 0.119 0.000 1.014 304 T HN 0.428 nan 8.240 nan 0.000 0.544 305 P HA 0.332 nan 4.420 nan 0.000 0.278 305 P C -0.722 176.561 177.300 -0.028 0.000 1.266 305 P CA -0.689 62.511 63.100 0.167 0.000 0.807 305 P CB 0.688 32.408 31.700 0.034 0.000 1.094 306 D N 0.229 120.553 120.400 -0.126 0.000 2.389 306 D HA 0.221 4.860 4.640 -0.001 0.000 0.247 306 D C -0.025 175.992 176.300 -0.472 0.000 1.128 306 D CA 0.822 54.724 54.000 -0.163 0.000 0.884 306 D CB 0.180 40.917 40.800 -0.104 0.000 1.194 306 D HN 0.291 nan 8.370 nan 0.000 0.441 307 Y N -0.140 120.055 120.300 -0.176 0.000 3.048 307 Y HA 0.459 5.009 4.550 -0.000 0.000 0.305 307 Y C -0.253 175.424 175.900 -0.371 0.000 1.538 307 Y CA -1.121 56.758 58.100 -0.368 0.000 1.082 307 Y CB 0.698 39.037 38.460 -0.202 0.000 1.388 307 Y HN 0.105 nan 8.280 nan 0.000 0.557 308 F N 2.155 122.234 119.950 0.216 0.000 2.361 308 F HA 0.473 4.999 4.527 -0.002 0.000 0.364 308 F C -0.649 175.206 175.800 0.091 0.000 1.120 308 F CA -0.717 57.351 58.000 0.113 0.000 1.102 308 F CB 0.123 39.170 39.000 0.079 0.000 1.183 308 F HN -0.031 nan 8.300 nan 0.000 0.476 309 L N 0.000 121.361 121.223 0.230 0.000 2.949 309 L HA 0.000 4.340 4.340 -0.001 0.000 0.249 309 L CA 0.000 54.920 54.840 0.134 0.000 0.813 309 L CB 0.000 42.120 42.059 0.102 0.000 0.961 309 L HN 0.000 nan 8.230 nan 0.000 0.502