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 2nyl_1_F 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 APR 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 0.000 176.288 176.300 -0.020 0.000 2.045 2 D CA 0.000 53.984 54.000 -0.026 0.000 0.868 2 D CB 0.000 40.783 40.800 -0.028 0.000 0.688 3 E N 1.260 121.452 120.200 -0.012 0.000 2.250 3 E HA 0.070 4.420 4.350 0.001 0.000 0.192 3 E C 0.999 177.599 176.600 -0.000 0.000 0.986 3 E CA 0.878 57.276 56.400 -0.003 0.000 0.849 3 E CB 0.281 29.976 29.700 -0.008 0.000 0.797 3 E HN 0.034 nan 8.360 nan 0.000 0.482 4 K N -0.541 119.853 120.400 -0.010 0.000 2.437 4 K HA 0.118 4.439 4.320 0.001 0.000 0.198 4 K C 0.660 177.252 176.600 -0.013 0.000 1.024 4 K CA 0.071 56.347 56.287 -0.018 0.000 1.148 4 K CB 0.764 33.251 32.500 -0.022 0.000 0.860 4 K HN -0.061 nan 8.250 nan 0.000 0.515 5 V N 0.243 120.161 119.914 0.007 0.000 3.649 5 V HA 0.064 4.184 4.120 0.001 0.000 0.275 5 V C 0.629 176.779 176.094 0.093 0.000 1.281 5 V CA 0.827 63.135 62.300 0.013 0.000 1.143 5 V CB -0.340 31.475 31.823 -0.014 0.000 0.892 5 V HN 0.285 nan 8.190 nan 0.000 0.441 6 F N 0.274 120.134 119.950 -0.151 0.000 2.083 6 F HA 0.125 4.652 4.527 0.000 0.000 0.259 6 F C 2.140 177.802 175.800 -0.230 0.000 0.953 6 F CA 1.175 59.049 58.000 -0.209 0.000 1.156 6 F CB -0.113 38.776 39.000 -0.183 0.000 1.297 6 F HN -0.037 nan 8.300 nan 0.000 0.733 7 T N 1.256 115.738 114.554 -0.121 0.000 2.969 7 T HA -0.203 4.147 4.350 0.001 0.000 0.271 7 T C 1.862 176.414 174.700 -0.246 0.000 1.127 7 T CA 1.655 63.612 62.100 -0.240 0.000 1.102 7 T CB -0.289 68.495 68.868 -0.140 0.000 0.855 7 T HN 0.175 nan 8.240 nan 0.000 0.536 8 K N 0.640 120.920 120.400 -0.200 0.000 2.284 8 K HA 0.062 4.383 4.320 0.001 0.000 0.198 8 K C 2.217 178.680 176.600 -0.229 0.000 1.048 8 K CA 0.596 56.783 56.287 -0.168 0.000 0.987 8 K CB 0.165 32.603 32.500 -0.103 0.000 0.800 8 K HN 0.372 nan 8.250 nan 0.000 0.486 9 E N 0.696 120.685 120.200 -0.350 0.000 2.086 9 E HA -0.087 4.264 4.350 0.001 0.000 0.190 9 E C 1.968 178.157 176.600 -0.685 0.000 0.975 9 E CA 0.361 56.468 56.400 -0.488 0.000 0.813 9 E CB 0.053 29.420 29.700 -0.555 0.000 0.768 9 E HN 0.231 nan 8.360 nan 0.000 0.457 10 L N 1.213 121.953 121.223 -0.806 0.000 2.012 10 L HA -0.241 4.099 4.340 0.001 0.000 0.210 10 L C 2.138 178.876 176.870 -0.220 0.000 1.073 10 L CA 1.588 56.078 54.840 -0.584 0.000 0.748 10 L CB -0.479 41.249 42.059 -0.552 0.000 0.891 10 L HN 0.223 nan 8.230 nan 0.000 0.431 11 D N -0.659 119.608 120.400 -0.220 0.000 2.191 11 D HA -0.265 4.376 4.640 0.001 0.000 0.195 11 D C 2.127 178.412 176.300 -0.026 0.000 1.003 11 D CA 1.198 55.145 54.000 -0.089 0.000 0.867 11 D CB -0.109 40.637 40.800 -0.089 0.000 0.926 11 D HN 0.305 nan 8.370 nan 0.000 0.450 12 Q N -0.676 119.090 119.800 -0.056 0.000 1.994 12 Q HA -0.122 4.218 4.340 0.001 0.000 0.198 12 Q C 2.076 178.173 176.000 0.161 0.000 0.976 12 Q CA 0.930 56.748 55.803 0.026 0.000 0.828 12 Q CB -0.494 28.241 28.738 -0.005 0.000 0.894 12 Q HN 0.328 nan 8.270 nan 0.000 0.432 13 W N 1.340 122.606 121.300 -0.057 0.000 2.290 13 W HA -0.228 4.432 4.660 0.001 0.000 0.318 13 W C 2.332 178.840 176.519 -0.018 0.000 1.248 13 W CA 0.896 58.216 57.345 -0.041 0.000 1.263 13 W CB -1.082 28.336 29.460 -0.070 0.000 1.147 13 W HN 0.220 nan 8.180 nan 0.000 0.494 14 I N -0.587 120.120 120.570 0.228 0.000 2.202 14 I HA -0.285 3.885 4.170 0.001 0.000 0.242 14 I C 2.420 178.594 176.117 0.095 0.000 1.091 14 I CA 1.801 63.182 61.300 0.135 0.000 1.368 14 I CB -0.752 37.314 38.000 0.109 0.000 1.058 14 I HN 0.003 nan 8.210 nan 0.000 0.410 15 E N 0.901 121.150 120.200 0.082 0.000 2.097 15 E HA -0.348 4.002 4.350 0.001 0.000 0.196 15 E C 2.188 178.824 176.600 0.059 0.000 1.000 15 E CA 1.824 58.257 56.400 0.054 0.000 0.804 15 E CB -0.054 29.673 29.700 0.045 0.000 0.740 15 E HN 0.473 nan 8.360 nan 0.000 0.454 16 Q N 0.110 119.958 119.800 0.079 0.000 2.050 16 Q HA -0.158 4.182 4.340 0.001 0.000 0.202 16 Q C 2.400 178.422 176.000 0.037 0.000 0.980 16 Q CA 1.564 57.403 55.803 0.059 0.000 0.840 16 Q CB -0.038 28.746 28.738 0.076 0.000 0.898 16 Q HN 0.365 nan 8.270 nan 0.000 0.424 17 L N 0.634 121.889 121.223 0.052 0.000 2.056 17 L HA -0.171 4.169 4.340 0.001 0.000 0.207 17 L C 2.390 179.336 176.870 0.126 0.000 1.078 17 L CA 0.823 55.691 54.840 0.046 0.000 0.749 17 L CB -0.719 41.394 42.059 0.090 0.000 0.901 17 L HN 0.355 nan 8.230 nan 0.000 0.433 18 N N 0.309 119.098 118.700 0.148 0.000 2.417 18 N HA -0.231 4.509 4.740 0.001 0.000 0.187 18 N C 1.556 177.168 175.510 0.171 0.000 1.027 18 N CA 1.165 54.324 53.050 0.181 0.000 0.891 18 N CB 0.107 38.625 38.487 0.051 0.000 0.956 18 N HN 0.442 nan 8.380 nan 0.000 0.442 19 E N -0.676 119.573 120.200 0.082 0.000 2.474 19 E HA 0.026 4.376 4.350 0.001 0.000 0.195 19 E C -0.256 176.328 176.600 -0.027 0.000 1.039 19 E CA -0.138 56.282 56.400 0.033 0.000 0.881 19 E CB 0.119 29.826 29.700 0.013 0.000 0.970 19 E HN 0.273 nan 8.360 nan 0.000 0.486 20 C N 1.612 120.845 119.300 -0.112 0.000 4.591 20 C HA -0.147 4.314 4.460 0.001 0.000 0.308 20 C C -0.679 174.169 174.990 -0.237 0.000 1.258 20 C CA 0.506 59.267 59.018 -0.427 0.000 2.128 20 C CB -1.991 25.404 27.740 -0.574 0.000 1.231 20 C HN 0.236 nan 8.230 nan 0.000 0.742 21 K N 1.643 121.957 120.400 -0.143 0.000 2.545 21 K HA 0.390 4.711 4.320 0.001 0.000 0.252 21 K C 0.065 176.627 176.600 -0.064 0.000 0.948 21 K CA -0.359 55.881 56.287 -0.079 0.000 0.827 21 K CB 1.470 33.948 32.500 -0.036 0.000 1.128 21 K HN 0.691 nan 8.250 nan 0.000 0.429 22 Q N 3.889 123.656 119.800 -0.056 0.000 2.349 22 Q HA 0.100 4.440 4.340 0.001 0.000 0.287 22 Q C -0.381 175.640 176.000 0.035 0.000 1.044 22 Q CA 0.061 55.869 55.803 0.007 0.000 0.918 22 Q CB 0.512 29.242 28.738 -0.013 0.000 1.242 22 Q HN 0.462 nan 8.270 nan 0.000 0.405 23 L N 2.058 123.290 121.223 0.015 0.000 2.472 23 L HA 0.128 4.469 4.340 0.001 0.000 0.260 23 L C 0.817 177.692 176.870 0.008 0.000 1.209 23 L CA -0.424 54.339 54.840 -0.128 0.000 0.817 23 L CB 0.766 42.583 42.059 -0.403 0.000 1.106 23 L HN 0.910 nan 8.230 nan 0.000 0.479 24 S N -0.436 115.220 115.700 -0.073 0.000 2.603 24 S HA 0.075 4.545 4.470 0.001 0.000 0.268 24 S C 0.792 175.275 174.600 -0.195 0.000 1.317 24 S CA -0.554 57.640 58.200 -0.010 0.000 1.012 24 S CB 1.534 64.724 63.200 -0.015 0.000 0.926 24 S HN 0.753 nan 8.310 nan 0.000 0.539 25 E N 1.565 121.623 120.200 -0.238 0.000 2.026 25 E HA -0.269 4.082 4.350 0.001 0.000 0.206 25 E C 2.141 178.525 176.600 -0.359 0.000 1.028 25 E CA 2.258 58.421 56.400 -0.395 0.000 0.845 25 E CB -0.557 29.008 29.700 -0.224 0.000 0.772 25 E HN 0.924 nan 8.360 nan 0.000 0.462 26 S N 0.299 115.867 115.700 -0.221 0.000 2.421 26 S HA -0.324 4.147 4.470 0.001 0.000 0.239 26 S C 1.904 176.371 174.600 -0.221 0.000 1.054 26 S CA 1.867 59.951 58.200 -0.192 0.000 1.035 26 S CB -0.568 62.582 63.200 -0.084 0.000 0.840 26 S HN 0.379 nan 8.310 nan 0.000 0.475 27 Q N 0.373 120.027 119.800 -0.243 0.000 2.137 27 Q HA 0.062 4.402 4.340 0.001 0.000 0.198 27 Q C 2.404 178.106 176.000 -0.497 0.000 0.960 27 Q CA 1.093 56.708 55.803 -0.313 0.000 0.847 27 Q CB -0.391 28.080 28.738 -0.445 0.000 0.915 27 Q HN 0.508 nan 8.270 nan 0.000 0.448 28 V N 1.828 121.422 119.914 -0.534 0.000 2.215 28 V HA -0.358 3.762 4.120 0.001 0.000 0.246 28 V C 2.334 178.051 176.094 -0.629 0.000 1.047 28 V CA 2.275 64.210 62.300 -0.610 0.000 0.999 28 V CB -0.729 30.709 31.823 -0.641 0.000 0.635 28 V HN 0.379 nan 8.190 nan 0.000 0.450 29 K N 0.055 119.954 120.400 -0.835 0.000 2.090 29 K HA -0.317 4.003 4.320 0.001 0.000 0.218 29 K C 2.187 178.557 176.600 -0.383 0.000 1.055 29 K CA 2.535 58.325 56.287 -0.828 0.000 0.941 29 K CB -0.434 31.413 32.500 -1.088 0.000 0.722 29 K HN 0.509 nan 8.250 nan 0.000 0.458 30 S N 0.805 116.355 115.700 -0.250 0.000 2.370 30 S HA -0.176 4.294 4.470 0.001 0.000 0.226 30 S C 1.765 176.422 174.600 0.094 0.000 1.033 30 S CA 1.426 59.618 58.200 -0.014 0.000 1.011 30 S CB -0.331 62.965 63.200 0.160 0.000 0.852 30 S HN 0.381 nan 8.310 nan 0.000 0.457 31 L N 1.014 122.239 121.223 0.002 0.000 2.109 31 L HA 0.026 4.367 4.340 0.001 0.000 0.207 31 L C 2.204 179.049 176.870 -0.041 0.000 1.086 31 L CA 1.425 56.312 54.840 0.077 0.000 0.760 31 L CB -0.730 41.259 42.059 -0.117 0.000 0.910 31 L HN 0.305 nan 8.230 nan 0.000 0.437 32 C N -0.401 118.776 119.300 -0.205 0.000 2.476 32 C HA -0.068 4.392 4.460 0.001 0.000 0.278 32 C C 2.623 177.541 174.990 -0.119 0.000 1.274 32 C CA 0.321 59.221 59.018 -0.196 0.000 1.713 32 C CB -0.742 26.812 27.740 -0.310 0.000 2.039 32 C HN 0.547 nan 8.230 nan 0.000 0.484 33 E N 1.286 121.419 120.200 -0.112 0.000 2.068 33 E HA -0.235 4.116 4.350 0.001 0.000 0.207 33 E C 2.160 178.721 176.600 -0.066 0.000 1.032 33 E CA 1.317 57.663 56.400 -0.090 0.000 0.839 33 E CB -0.549 29.107 29.700 -0.072 0.000 0.758 33 E HN 0.483 nan 8.360 nan 0.000 0.457 34 K N 0.337 120.739 120.400 0.004 0.000 2.020 34 K HA -0.110 4.211 4.320 0.001 0.000 0.212 34 K C 2.056 178.664 176.600 0.014 0.000 1.050 34 K CA 1.347 57.664 56.287 0.049 0.000 0.929 34 K CB -0.572 32.043 32.500 0.192 0.000 0.714 34 K HN 0.137 nan 8.250 nan 0.000 0.443 35 A N 1.509 124.336 122.820 0.012 0.000 2.032 35 A HA -0.223 4.097 4.320 0.001 0.000 0.221 35 A C 2.090 179.641 177.584 -0.054 0.000 1.165 35 A CA 1.753 53.792 52.037 0.004 0.000 0.645 35 A CB -0.300 18.712 19.000 0.020 0.000 0.807 35 A HN 0.335 nan 8.150 nan 0.000 0.453 36 K N -0.375 119.936 120.400 -0.150 0.000 1.963 36 K HA -0.166 4.154 4.320 0.001 0.000 0.216 36 K C 1.912 178.373 176.600 -0.232 0.000 1.045 36 K CA 1.621 57.699 56.287 -0.349 0.000 0.954 36 K CB -0.389 31.829 32.500 -0.470 0.000 0.732 36 K HN 0.627 nan 8.250 nan 0.000 0.442 37 E N 0.812 120.919 120.200 -0.155 0.000 2.164 37 E HA -0.257 4.094 4.350 0.001 0.000 0.206 37 E C 1.970 178.554 176.600 -0.026 0.000 1.032 37 E CA 1.680 58.035 56.400 -0.075 0.000 0.832 37 E CB -0.486 29.186 29.700 -0.048 0.000 0.742 37 E HN 0.379 nan 8.360 nan 0.000 0.460 38 I N 0.424 120.987 120.570 -0.013 0.000 2.546 38 I HA -0.193 3.977 4.170 0.001 0.000 0.255 38 I C 2.234 178.379 176.117 0.047 0.000 1.163 38 I CA 0.774 62.087 61.300 0.023 0.000 1.457 38 I CB -0.110 37.910 38.000 0.033 0.000 1.092 38 I HN 0.087 nan 8.210 nan 0.000 0.434 39 L N -0.374 120.877 121.223 0.046 0.000 2.298 39 L HA -0.035 4.305 4.340 0.001 0.000 0.209 39 L C 2.539 179.497 176.870 0.147 0.000 1.084 39 L CA 0.664 55.569 54.840 0.109 0.000 0.816 39 L CB -0.457 41.694 42.059 0.153 0.000 0.967 39 L HN 0.146 nan 8.230 nan 0.000 0.460 40 T N 0.320 114.948 114.554 0.124 0.000 2.570 40 T HA -0.275 4.076 4.350 0.001 0.000 0.266 40 T C 1.712 176.490 174.700 0.130 0.000 1.071 40 T CA 1.597 63.805 62.100 0.180 0.000 1.172 40 T CB -0.216 68.724 68.868 0.119 0.000 0.864 40 T HN 0.244 nan 8.240 nan 0.000 0.421 41 K N 1.279 121.732 120.400 0.088 0.000 2.374 41 K HA -0.091 4.230 4.320 0.001 0.000 0.202 41 K C 0.781 177.430 176.600 0.083 0.000 1.044 41 K CA 0.815 57.147 56.287 0.075 0.000 0.933 41 K CB -0.122 32.413 32.500 0.057 0.000 0.745 41 K HN 0.579 nan 8.250 nan 0.000 0.474 42 E N 0.990 121.249 120.200 0.099 0.000 2.313 42 E HA 0.062 4.413 4.350 0.001 0.000 0.272 42 E C 0.267 176.929 176.600 0.104 0.000 1.038 42 E CA -0.355 56.105 56.400 0.100 0.000 0.863 42 E CB 1.417 31.183 29.700 0.110 0.000 1.060 42 E HN 0.112 nan 8.360 nan 0.000 0.402 43 S N 2.128 117.887 115.700 0.097 0.000 2.618 43 S HA 0.013 4.483 4.470 0.001 0.000 0.254 43 S C 0.620 175.286 174.600 0.108 0.000 1.284 43 S CA 0.301 58.559 58.200 0.098 0.000 0.975 43 S CB 0.357 63.614 63.200 0.095 0.000 1.022 43 S HN 0.527 nan 8.310 nan 0.000 0.571 44 N N -1.470 117.298 118.700 0.113 0.000 2.407 44 N HA 0.239 4.979 4.740 0.001 0.000 0.182 44 N C -0.800 174.798 175.510 0.147 0.000 1.079 44 N CA 0.191 53.314 53.050 0.122 0.000 0.882 44 N CB 0.452 39.010 38.487 0.118 0.000 1.106 44 N HN 0.304 nan 8.380 nan 0.000 0.461 45 V N 2.032 122.040 119.914 0.157 0.000 2.239 45 V HA 0.247 4.368 4.120 0.001 0.000 0.267 45 V C -0.416 175.772 176.094 0.157 0.000 1.056 45 V CA -0.598 61.823 62.300 0.201 0.000 0.830 45 V CB 0.739 32.698 31.823 0.227 0.000 1.090 45 V HN 0.119 nan 8.190 nan 0.000 0.459 46 Q N 3.080 122.961 119.800 0.135 0.000 2.297 46 Q HA 0.125 4.466 4.340 0.001 0.000 0.267 46 Q C 0.053 176.119 176.000 0.110 0.000 1.006 46 Q CA 0.574 56.445 55.803 0.113 0.000 0.896 46 Q CB 0.645 29.446 28.738 0.105 0.000 1.186 46 Q HN 0.763 nan 8.270 nan 0.000 0.392 47 E N 2.986 123.245 120.200 0.097 0.000 2.055 47 E HA 0.434 4.784 4.350 0.001 0.000 0.274 47 E C -1.449 175.195 176.600 0.074 0.000 0.949 47 E CA -0.501 55.952 56.400 0.088 0.000 0.775 47 E CB 0.657 30.404 29.700 0.078 0.000 1.097 47 E HN 0.379 nan 8.360 nan 0.000 0.404 48 V N 5.948 125.904 119.914 0.070 0.000 2.531 48 V HA 0.332 4.453 4.120 0.001 0.000 0.301 48 V C -0.182 175.940 176.094 0.047 0.000 1.034 48 V CA -0.898 61.438 62.300 0.059 0.000 0.865 48 V CB 1.742 33.603 31.823 0.064 0.000 0.995 48 V HN 0.705 nan 8.190 nan 0.000 0.424 49 R N 3.540 124.064 120.500 0.040 0.000 2.389 49 R HA 0.428 4.768 4.340 0.001 0.000 0.295 49 R C 0.339 176.650 176.300 0.018 0.000 1.075 49 R CA -0.509 55.608 56.100 0.029 0.000 1.005 49 R CB 0.143 30.459 30.300 0.026 0.000 0.987 49 R HN 0.768 nan 8.270 nan 0.000 0.452 50 C N 1.684 120.991 119.300 0.012 0.000 2.767 50 C HA 0.437 4.897 4.460 0.001 0.000 0.353 50 C C -1.480 173.505 174.990 -0.010 0.000 1.376 50 C CA -1.460 57.556 59.018 -0.004 0.000 2.284 50 C CB -0.287 27.451 27.740 -0.003 0.000 2.535 50 C HN 0.727 nan 8.230 nan 0.000 0.745 51 P HA 0.516 nan 4.420 nan 0.000 0.277 51 P C -0.515 176.748 177.300 -0.062 0.000 1.240 51 P CA 0.210 63.284 63.100 -0.043 0.000 0.798 51 P CB 1.222 32.890 31.700 -0.052 0.000 0.979 52 V N -2.166 117.699 119.914 -0.082 0.000 3.279 52 V HA 0.659 4.779 4.120 0.001 0.000 0.296 52 V C -0.883 175.122 176.094 -0.148 0.000 1.470 52 V CA -0.768 61.465 62.300 -0.113 0.000 1.065 52 V CB 1.508 33.294 31.823 -0.062 0.000 1.124 52 V HN 0.496 nan 8.190 nan 0.000 0.461 53 T N 0.968 115.408 114.554 -0.191 0.000 2.824 53 T HA 0.661 5.011 4.350 0.001 0.000 0.282 53 T C -0.630 174.000 174.700 -0.116 0.000 0.993 53 T CA -0.390 61.605 62.100 -0.175 0.000 0.967 53 T CB 1.593 70.305 68.868 -0.261 0.000 0.960 53 T HN 0.787 nan 8.240 nan 0.000 0.441 54 V N 3.197 123.039 119.914 -0.120 0.000 2.385 54 V HA 0.315 4.435 4.120 0.001 0.000 0.269 54 V C 0.089 176.087 176.094 -0.160 0.000 1.043 54 V CA -0.588 61.636 62.300 -0.127 0.000 0.906 54 V CB 0.345 32.108 31.823 -0.099 0.000 0.995 54 V HN 1.026 nan 8.190 nan 0.000 0.467 55 C N 4.183 123.318 119.300 -0.274 0.000 2.456 55 C HA 0.846 5.307 4.460 0.001 0.000 0.325 55 C C 1.273 176.170 174.990 -0.155 0.000 1.217 55 C CA -0.177 58.658 59.018 -0.304 0.000 1.687 55 C CB 1.107 28.394 27.740 -0.755 0.000 2.270 55 C HN 1.021 nan 8.230 nan 0.000 0.499 56 G N 1.049 109.781 108.800 -0.113 0.000 3.365 56 G HA2 0.324 4.285 3.960 0.001 0.000 0.185 56 G HA3 0.324 4.285 3.960 0.001 0.000 0.185 56 G C -0.824 173.996 174.900 -0.133 0.000 1.565 56 G CA 0.003 45.049 45.100 -0.089 0.000 0.984 56 G HN 0.686 nan 8.290 nan 0.000 0.604 57 D N -0.652 119.556 120.400 -0.320 0.000 2.350 57 D HA 0.423 5.064 4.640 0.001 0.000 0.249 57 D C 0.847 176.797 176.300 -0.583 0.000 1.119 57 D CA -0.102 53.564 54.000 -0.557 0.000 0.886 57 D CB 2.153 42.519 40.800 -0.722 0.000 1.195 57 D HN -0.044 nan 8.370 nan 0.000 0.437 58 V N 1.819 121.459 119.914 -0.455 0.000 3.371 58 V HA -0.032 4.088 4.120 0.001 0.000 0.246 58 V C 0.037 176.046 176.094 -0.141 0.000 1.303 58 V CA -0.137 62.027 62.300 -0.228 0.000 1.156 58 V CB -0.405 31.377 31.823 -0.068 0.000 0.929 58 V HN 0.707 nan 8.190 nan 0.000 0.459 59 H N 1.156 120.133 119.070 -0.154 0.000 2.387 59 H HA -0.195 4.361 4.556 0.001 0.000 0.315 59 H C 1.674 176.981 175.328 -0.035 0.000 0.955 59 H CA 1.040 57.016 56.048 -0.121 0.000 1.046 59 H CB -1.372 28.349 29.762 -0.069 0.000 1.615 59 H HN 0.703 nan 8.280 nan 0.000 0.346 60 G N 1.768 110.635 108.800 0.111 0.000 2.243 60 G HA2 -0.392 3.569 3.960 0.001 0.000 0.276 60 G HA3 -0.392 3.569 3.960 0.001 0.000 0.276 60 G C 0.695 175.763 174.900 0.280 0.000 0.997 60 G CA 0.884 46.092 45.100 0.180 0.000 0.693 60 G HN 0.686 nan 8.290 nan 0.000 0.529 61 Q N -0.498 119.440 119.800 0.230 0.000 3.254 61 Q HA 0.343 4.683 4.340 0.001 0.000 0.315 61 Q C 1.333 177.553 176.000 0.366 0.000 1.405 61 Q CA -0.550 55.468 55.803 0.357 0.000 0.966 61 Q CB -0.220 28.686 28.738 0.281 0.000 1.706 61 Q HN 0.516 nan 8.270 nan 0.000 0.525 62 F N 1.544 121.655 119.950 0.268 0.000 2.048 62 F HA -0.385 4.143 4.527 0.001 0.000 0.296 62 F C 1.907 177.829 175.800 0.204 0.000 1.109 62 F CA 2.205 60.314 58.000 0.181 0.000 1.214 62 F CB -0.039 39.032 39.000 0.119 0.000 0.963 62 F HN 0.563 nan 8.300 nan 0.000 0.491 63 H N -1.077 118.087 119.070 0.157 0.000 2.387 63 H HA -0.169 4.387 4.556 0.000 0.000 0.299 63 H C 1.639 176.929 175.328 -0.064 0.000 1.099 63 H CA 0.979 57.031 56.048 0.007 0.000 1.315 63 H CB -0.238 29.568 29.762 0.073 0.000 1.380 63 H HN 0.340 nan 8.280 nan 0.000 0.513 64 D N 0.783 121.280 120.400 0.160 0.000 2.269 64 D HA -0.099 4.541 4.640 0.001 0.000 0.208 64 D C 2.221 178.459 176.300 -0.103 0.000 0.963 64 D CA 0.216 54.254 54.000 0.064 0.000 0.864 64 D CB -0.143 40.776 40.800 0.199 0.000 0.936 64 D HN 0.226 nan 8.370 nan 0.000 0.505 65 L N 0.735 121.879 121.223 -0.132 0.000 1.976 65 L HA -0.142 4.198 4.340 0.001 0.000 0.209 65 L C 2.000 178.661 176.870 -0.348 0.000 1.071 65 L CA 1.625 56.298 54.840 -0.278 0.000 0.746 65 L CB -0.866 41.010 42.059 -0.304 0.000 0.890 65 L HN -0.139 nan 8.230 nan 0.000 0.432 66 M N -0.246 119.165 119.600 -0.316 0.000 2.113 66 M HA -0.305 4.176 4.480 0.001 0.000 0.255 66 M C 2.299 178.512 176.300 -0.144 0.000 1.073 66 M CA 2.275 57.483 55.300 -0.154 0.000 1.091 66 M CB -1.535 30.910 32.600 -0.258 0.000 1.309 66 M HN 0.482 nan 8.290 nan 0.000 0.407 67 E N 0.703 120.753 120.200 -0.250 0.000 2.114 67 E HA -0.205 4.145 4.350 0.001 0.000 0.199 67 E C 2.032 178.283 176.600 -0.582 0.000 1.008 67 E CA 1.559 57.746 56.400 -0.353 0.000 0.810 67 E CB -0.476 28.996 29.700 -0.380 0.000 0.739 67 E HN 0.535 nan 8.360 nan 0.000 0.456 68 L N -0.529 120.209 121.223 -0.809 0.000 1.956 68 L HA -0.244 4.097 4.340 0.001 0.000 0.216 68 L C 2.118 178.799 176.870 -0.314 0.000 1.073 68 L CA 1.994 56.354 54.840 -0.799 0.000 0.762 68 L CB -0.462 41.276 42.059 -0.535 0.000 0.889 68 L HN 0.183 nan 8.230 nan 0.000 0.433 69 F N 0.665 120.506 119.950 -0.182 0.000 2.087 69 F HA -0.273 4.254 4.527 0.001 0.000 0.299 69 F C 2.800 178.565 175.800 -0.058 0.000 1.100 69 F CA 1.767 59.731 58.000 -0.060 0.000 1.226 69 F CB -0.797 38.138 39.000 -0.107 0.000 0.983 69 F HN 0.101 nan 8.300 nan 0.000 0.479 70 R N -0.594 119.944 120.500 0.063 0.000 2.200 70 R HA -0.163 4.178 4.340 0.001 0.000 0.234 70 R C 2.000 178.301 176.300 0.001 0.000 1.127 70 R CA 1.256 57.360 56.100 0.007 0.000 0.989 70 R CB -0.548 29.723 30.300 -0.049 0.000 0.869 70 R HN 0.309 nan 8.270 nan 0.000 0.459 71 I N -0.920 119.635 120.570 -0.024 0.000 2.499 71 I HA -0.014 4.156 4.170 0.001 0.000 0.243 71 I C 2.289 178.446 176.117 0.067 0.000 1.085 71 I CA 1.267 62.577 61.300 0.017 0.000 1.422 71 I CB -0.462 37.556 38.000 0.030 0.000 1.165 71 I HN 0.091 nan 8.210 nan 0.000 0.440 72 G N -0.418 108.454 108.800 0.121 0.000 2.744 72 G HA2 0.402 4.362 3.960 0.001 0.000 0.211 72 G HA3 0.402 4.362 3.960 0.001 0.000 0.211 72 G C 0.787 175.744 174.900 0.095 0.000 1.143 72 G CA 0.583 45.758 45.100 0.125 0.000 0.788 72 G HN 0.750 nan 8.290 nan 0.000 0.534 73 G N -0.303 108.591 108.800 0.157 0.000 2.566 73 G HA2 0.084 4.045 3.960 0.001 0.000 0.599 73 G HA3 0.084 4.045 3.960 0.001 0.000 0.599 73 G C -0.561 174.483 174.900 0.239 0.000 1.292 73 G CA -0.353 44.809 45.100 0.105 0.000 0.922 73 G HN 0.856 nan 8.290 nan 0.000 0.514 74 K N -1.057 119.406 120.400 0.106 0.000 2.385 74 K HA 0.813 5.134 4.320 0.001 0.000 0.248 74 K C -0.256 176.334 176.600 -0.015 0.000 0.955 74 K CA -0.794 55.516 56.287 0.039 0.000 0.816 74 K CB 2.149 34.565 32.500 -0.140 0.000 1.250 74 K HN 0.508 nan 8.250 nan 0.000 0.434 75 S N 1.897 117.556 115.700 -0.068 0.000 2.601 75 S HA 0.195 4.666 4.470 0.001 0.000 0.271 75 S C -1.438 172.905 174.600 -0.428 0.000 1.305 75 S CA -1.203 56.905 58.200 -0.154 0.000 1.022 75 S CB 0.780 63.953 63.200 -0.045 0.000 0.940 75 S HN 0.632 nan 8.310 nan 0.000 0.525 76 P HA 0.071 nan 4.420 nan 0.000 0.245 76 P C 0.205 177.366 177.300 -0.232 0.000 1.206 76 P CA 0.288 63.070 63.100 -0.530 0.000 0.781 76 P CB 0.140 31.340 31.700 -0.834 0.000 0.994 77 D N 0.359 120.642 120.400 -0.195 0.000 2.280 77 D HA -0.100 4.540 4.640 0.001 0.000 0.206 77 D C 0.783 177.019 176.300 -0.106 0.000 0.988 77 D CA 1.373 55.302 54.000 -0.119 0.000 0.886 77 D CB 0.041 40.783 40.800 -0.097 0.000 0.914 77 D HN 0.267 nan 8.370 nan 0.000 0.473 78 T N 0.028 114.511 114.554 -0.118 0.000 2.921 78 T HA 0.246 4.596 4.350 0.001 0.000 0.297 78 T C -0.860 173.689 174.700 -0.252 0.000 1.013 78 T CA -0.962 61.020 62.100 -0.198 0.000 0.990 78 T CB 1.041 69.752 68.868 -0.262 0.000 1.023 78 T HN -0.279 nan 8.240 nan 0.000 0.447 79 N N 3.503 122.060 118.700 -0.238 0.000 2.497 79 N HA 0.391 5.131 4.740 0.001 0.000 0.268 79 N C -1.185 174.157 175.510 -0.281 0.000 1.171 79 N CA 0.186 53.142 53.050 -0.155 0.000 0.948 79 N CB 0.112 38.546 38.487 -0.088 0.000 1.069 79 N HN 0.521 nan 8.380 nan 0.000 0.460 80 Y N 0.520 120.832 120.300 0.021 0.000 2.598 80 Y HA 0.648 5.198 4.550 0.001 0.000 0.340 80 Y C -0.259 175.610 175.900 -0.051 0.000 1.038 80 Y CA -1.089 56.979 58.100 -0.052 0.000 1.100 80 Y CB 1.709 40.183 38.460 0.024 0.000 1.281 80 Y HN 0.325 nan 8.280 nan 0.000 0.488 81 L N 2.107 123.335 121.223 0.008 0.000 2.596 81 L HA 0.558 4.899 4.340 0.001 0.000 0.265 81 L C -2.238 174.531 176.870 -0.168 0.000 0.962 81 L CA -0.184 54.659 54.840 0.005 0.000 0.891 81 L CB 0.553 42.613 42.059 0.002 0.000 1.248 81 L HN 0.444 nan 8.230 nan 0.000 0.410 82 F N 4.711 124.720 119.950 0.098 0.000 2.425 82 F HA 0.580 5.108 4.527 0.001 0.000 0.331 82 F C 0.469 176.339 175.800 0.117 0.000 1.085 82 F CA -0.512 57.553 58.000 0.108 0.000 1.028 82 F CB 1.978 41.079 39.000 0.168 0.000 1.177 82 F HN 0.315 nan 8.300 nan 0.000 0.487 83 M N 3.202 122.932 119.600 0.216 0.000 2.808 83 M HA 0.394 4.874 4.480 0.001 0.000 0.225 83 M C 0.348 176.621 176.300 -0.044 0.000 1.103 83 M CA -0.348 55.007 55.300 0.092 0.000 0.982 83 M CB 0.520 33.143 32.600 0.039 0.000 1.314 83 M HN 0.865 nan 8.290 nan 0.000 0.505 84 G N 0.934 109.559 108.800 -0.292 0.000 2.645 84 G HA2 -0.246 3.714 3.960 0.001 0.000 0.246 84 G HA3 -0.246 3.714 3.960 0.001 0.000 0.246 84 G C -0.355 173.776 174.900 -1.282 0.000 1.322 84 G CA -0.242 44.314 45.100 -0.906 0.000 0.898 84 G HN 0.743 nan 8.290 nan 0.000 0.573 85 D N -1.817 117.886 120.400 -1.163 0.000 2.890 85 D HA -0.143 4.497 4.640 0.001 0.000 0.226 85 D C 0.794 176.520 176.300 -0.957 0.000 1.207 85 D CA 1.576 55.004 54.000 -0.954 0.000 0.764 85 D CB -0.888 39.378 40.800 -0.890 0.000 0.948 85 D HN 0.604 nan 8.370 nan 0.000 0.404 86 Y N -1.180 118.873 120.300 -0.412 0.000 2.301 86 Y HA 0.103 4.654 4.550 0.001 0.000 0.295 86 Y C 1.824 177.562 175.900 -0.270 0.000 1.119 86 Y CA 0.599 58.499 58.100 -0.334 0.000 1.162 86 Y CB -0.308 37.978 38.460 -0.289 0.000 1.046 86 Y HN 0.243 nan 8.280 nan 0.000 0.538 87 V N -2.730 117.074 119.914 -0.185 0.000 3.503 87 V HA 0.440 4.560 4.120 0.001 0.000 0.294 87 V C -0.174 175.922 176.094 0.002 0.000 1.102 87 V CA -1.362 60.844 62.300 -0.156 0.000 0.979 87 V CB 0.942 32.450 31.823 -0.524 0.000 1.240 87 V HN 0.317 nan 8.190 nan 0.000 0.444 88 D N -0.701 119.744 120.400 0.075 0.000 10.788 88 D HA -0.127 4.513 4.640 0.001 0.000 0.346 88 D C 0.710 176.978 176.300 -0.055 0.000 3.133 88 D CA 0.768 54.803 54.000 0.059 0.000 2.671 88 D CB -0.092 40.669 40.800 -0.065 0.000 1.209 88 D HN 0.936 nan 8.370 nan 0.000 0.941 89 R N -1.493 118.975 120.500 -0.053 0.000 1.193 89 R HA -0.197 4.143 4.340 0.001 0.000 0.018 89 R C 1.174 177.398 176.300 -0.127 0.000 0.960 89 R CA 2.203 58.216 56.100 -0.144 0.000 1.987 89 R CB -2.247 27.886 30.300 -0.278 0.000 0.132 89 R HN 0.768 nan 8.270 nan 0.000 0.732 90 G N -0.265 108.465 108.800 -0.117 0.000 2.771 90 G HA2 0.054 4.015 3.960 0.001 0.000 0.242 90 G HA3 0.054 4.015 3.960 0.001 0.000 0.242 90 G C 0.370 175.321 174.900 0.085 0.000 1.233 90 G CA 0.571 45.586 45.100 -0.143 0.000 0.858 90 G HN 0.475 nan 8.290 nan 0.000 0.591 91 Y N -0.703 119.659 120.300 0.102 0.000 2.500 91 Y HA 0.278 4.828 4.550 0.000 0.000 0.270 91 Y C 0.492 176.257 175.900 -0.225 0.000 1.134 91 Y CA 0.078 58.148 58.100 -0.051 0.000 1.293 91 Y CB 0.399 38.791 38.460 -0.113 0.000 1.063 91 Y HN 0.413 nan 8.280 nan 0.000 0.534 92 Y N -0.662 119.730 120.300 0.154 0.000 2.516 92 Y HA 0.294 4.845 4.550 0.000 0.000 0.341 92 Y C 1.576 177.533 175.900 0.095 0.000 0.912 92 Y CA -0.486 57.644 58.100 0.049 0.000 1.167 92 Y CB 0.270 38.801 38.460 0.118 0.000 1.195 92 Y HN -0.110 nan 8.280 nan 0.000 0.610 93 S N -0.206 115.614 115.700 0.200 0.000 2.363 93 S HA -0.202 4.268 4.470 0.001 0.000 0.218 93 S C 2.170 176.877 174.600 0.179 0.000 1.035 93 S CA 1.776 60.093 58.200 0.196 0.000 1.043 93 S CB -0.387 62.988 63.200 0.292 0.000 0.986 93 S HN 0.377 nan 8.310 nan 0.000 0.423 94 V N 2.060 122.129 119.914 0.259 0.000 2.250 94 V HA -0.352 3.768 4.120 0.001 0.000 0.250 94 V C 2.305 178.473 176.094 0.122 0.000 1.039 94 V CA 2.500 64.942 62.300 0.236 0.000 1.042 94 V CB -1.286 30.672 31.823 0.224 0.000 0.673 94 V HN 0.429 nan 8.190 nan 0.000 0.477 95 E N 0.131 120.381 120.200 0.083 0.000 2.149 95 E HA -0.275 4.076 4.350 0.001 0.000 0.215 95 E C 2.136 178.815 176.600 0.133 0.000 1.055 95 E CA 2.482 58.881 56.400 -0.001 0.000 0.870 95 E CB -0.986 28.534 29.700 -0.300 0.000 0.764 95 E HN 0.745 nan 8.360 nan 0.000 0.463 96 T N 0.143 114.846 114.554 0.249 0.000 2.580 96 T HA -0.199 4.152 4.350 0.001 0.000 0.265 96 T C 1.957 176.687 174.700 0.050 0.000 1.063 96 T CA 1.581 63.855 62.100 0.291 0.000 1.170 96 T CB -0.707 68.303 68.868 0.237 0.000 0.863 96 T HN 0.131 nan 8.240 nan 0.000 0.418 97 V N 1.282 121.159 119.914 -0.062 0.000 2.343 97 V HA -0.205 3.916 4.120 0.001 0.000 0.247 97 V C 2.480 178.504 176.094 -0.116 0.000 1.051 97 V CA 2.558 64.734 62.300 -0.206 0.000 1.036 97 V CB -1.149 30.442 31.823 -0.388 0.000 0.654 97 V HN 0.628 nan 8.190 nan 0.000 0.451 98 T N 1.184 115.733 114.554 -0.007 0.000 2.699 98 T HA -0.238 4.112 4.350 0.001 0.000 0.268 98 T C 1.724 176.504 174.700 0.133 0.000 1.036 98 T CA 2.151 64.396 62.100 0.243 0.000 1.147 98 T CB -0.484 68.519 68.868 0.224 0.000 0.862 98 T HN 0.452 nan 8.240 nan 0.000 0.446 99 L N 1.075 122.354 121.223 0.093 0.000 1.973 99 L HA 0.086 4.426 4.340 0.001 0.000 0.208 99 L C 2.282 179.162 176.870 0.016 0.000 1.073 99 L CA 1.565 56.457 54.840 0.088 0.000 0.746 99 L CB -1.143 41.015 42.059 0.165 0.000 0.891 99 L HN 0.216 nan 8.230 nan 0.000 0.433 100 L N -0.886 120.282 121.223 -0.090 0.000 2.103 100 L HA -0.307 4.034 4.340 0.001 0.000 0.215 100 L C 2.414 179.207 176.870 -0.128 0.000 1.080 100 L CA 1.613 56.313 54.840 -0.234 0.000 0.764 100 L CB -0.571 41.145 42.059 -0.572 0.000 0.890 100 L HN 0.260 nan 8.230 nan 0.000 0.435 101 V N -0.542 119.346 119.914 -0.044 0.000 2.358 101 V HA -0.270 3.851 4.120 0.001 0.000 0.246 101 V C 2.691 178.825 176.094 0.067 0.000 1.047 101 V CA 1.663 63.989 62.300 0.043 0.000 1.035 101 V CB -0.954 30.966 31.823 0.163 0.000 0.658 101 V HN 0.511 nan 8.190 nan 0.000 0.452 102 A N 0.120 122.991 122.820 0.085 0.000 1.908 102 A HA -0.201 4.119 4.320 0.001 0.000 0.218 102 A C 2.225 179.859 177.584 0.084 0.000 1.181 102 A CA 2.039 54.142 52.037 0.110 0.000 0.627 102 A CB -0.614 18.470 19.000 0.140 0.000 0.818 102 A HN 0.494 nan 8.150 nan 0.000 0.445 103 L N -0.753 120.525 121.223 0.091 0.000 2.012 103 L HA -0.218 4.122 4.340 0.001 0.000 0.210 103 L C 2.578 179.530 176.870 0.136 0.000 1.073 103 L CA 1.997 56.927 54.840 0.150 0.000 0.748 103 L CB -0.386 41.756 42.059 0.138 0.000 0.891 103 L HN 0.347 nan 8.230 nan 0.000 0.431 104 K N -0.041 120.414 120.400 0.092 0.000 2.097 104 K HA -0.117 4.203 4.320 0.001 0.000 0.206 104 K C 1.721 178.359 176.600 0.063 0.000 1.049 104 K CA 1.360 57.702 56.287 0.091 0.000 0.933 104 K CB -0.309 32.236 32.500 0.074 0.000 0.717 104 K HN 0.117 nan 8.250 nan 0.000 0.442 105 V N 0.590 120.532 119.914 0.045 0.000 2.809 105 V HA -0.082 4.038 4.120 0.001 0.000 0.256 105 V C 2.183 178.245 176.094 -0.053 0.000 1.080 105 V CA 1.510 63.823 62.300 0.022 0.000 1.102 105 V CB -0.490 31.363 31.823 0.049 0.000 0.705 105 V HN 0.276 nan 8.190 nan 0.000 0.475 106 R N 0.219 120.663 120.500 -0.094 0.000 1.799 106 R HA 0.105 4.445 4.340 0.001 0.000 0.150 106 R C 0.792 176.917 176.300 -0.292 0.000 1.953 106 R CA 0.443 56.365 56.100 -0.298 0.000 1.598 106 R CB -0.908 29.124 30.300 -0.447 0.000 1.119 106 R HN 0.321 nan 8.270 nan 0.000 0.479 107 Y N 2.690 122.997 120.300 0.011 0.000 3.238 107 Y HA 0.052 4.603 4.550 0.001 0.000 0.368 107 Y C 1.587 177.514 175.900 0.045 0.000 1.038 107 Y CA 0.545 58.661 58.100 0.027 0.000 2.088 107 Y CB -0.882 37.599 38.460 0.036 0.000 2.293 107 Y HN 0.316 nan 8.280 nan 0.000 0.402 108 R N 1.453 122.003 120.500 0.083 0.000 2.208 108 R HA -0.266 4.074 4.340 0.001 0.000 0.262 108 R C 0.512 176.875 176.300 0.106 0.000 1.166 108 R CA 2.340 58.489 56.100 0.082 0.000 0.987 108 R CB 0.039 30.366 30.300 0.046 0.000 0.887 108 R HN 0.574 nan 8.270 nan 0.000 0.459 109 E N -1.007 119.263 120.200 0.117 0.000 2.651 109 E HA 0.099 4.449 4.350 0.001 0.000 0.208 109 E C 0.595 177.266 176.600 0.117 0.000 0.997 109 E CA -0.266 56.197 56.400 0.106 0.000 1.020 109 E CB 0.826 30.575 29.700 0.080 0.000 1.052 109 E HN 0.261 nan 8.360 nan 0.000 0.465 110 R N 0.598 121.193 120.500 0.158 0.000 2.373 110 R HA 0.283 4.624 4.340 0.001 0.000 0.221 110 R C 0.942 177.353 176.300 0.185 0.000 0.893 110 R CA 0.324 56.511 56.100 0.145 0.000 1.049 110 R CB 0.864 31.250 30.300 0.143 0.000 1.119 110 R HN 0.192 nan 8.270 nan 0.000 0.535 111 I N -2.202 118.498 120.570 0.217 0.000 2.656 111 I HA 0.478 4.649 4.170 0.001 0.000 0.292 111 I C -1.124 175.131 176.117 0.230 0.000 1.144 111 I CA -0.785 60.682 61.300 0.280 0.000 1.038 111 I CB 2.722 40.925 38.000 0.340 0.000 1.244 111 I HN -0.319 nan 8.210 nan 0.000 0.420 112 T N 6.891 121.593 114.554 0.246 0.000 2.809 112 T HA 0.630 4.980 4.350 0.001 0.000 0.284 112 T C -0.292 174.565 174.700 0.263 0.000 0.992 112 T CA -0.425 61.797 62.100 0.203 0.000 0.957 112 T CB 1.134 70.090 68.868 0.147 0.000 0.942 112 T HN 0.610 nan 8.240 nan 0.000 0.439 113 I N 1.895 122.602 120.570 0.229 0.000 2.493 113 I HA 0.737 4.907 4.170 0.001 0.000 0.298 113 I C -0.992 175.278 176.117 0.255 0.000 0.998 113 I CA -1.154 60.309 61.300 0.272 0.000 1.137 113 I CB 1.391 39.451 38.000 0.100 0.000 1.310 113 I HN 0.381 nan 8.210 nan 0.000 0.445 114 L N 3.890 125.289 121.223 0.292 0.000 2.279 114 L HA 0.613 4.954 4.340 0.001 0.000 0.262 114 L C 0.023 176.960 176.870 0.111 0.000 1.019 114 L CA -0.996 53.946 54.840 0.170 0.000 0.823 114 L CB 1.901 44.015 42.059 0.093 0.000 1.358 114 L HN 0.692 nan 8.230 nan 0.000 0.432 115 R N -0.128 120.387 120.500 0.026 0.000 2.490 115 R HA 0.544 4.885 4.340 0.001 0.000 0.280 115 R C -0.311 175.828 176.300 -0.267 0.000 1.077 115 R CA -0.030 56.010 56.100 -0.100 0.000 1.065 115 R CB 1.183 31.461 30.300 -0.038 0.000 1.003 115 R HN 0.832 nan 8.270 nan 0.000 0.470 116 G N 1.341 109.842 108.800 -0.499 0.000 2.600 116 G HA2 0.074 4.034 3.960 0.001 0.000 0.303 116 G HA3 0.074 4.034 3.960 0.001 0.000 0.303 116 G C 0.262 174.779 174.900 -0.638 0.000 1.253 116 G CA -0.790 43.809 45.100 -0.835 0.000 0.974 116 G HN 0.823 nan 8.290 nan 0.000 0.483 117 N N -0.311 117.939 118.700 -0.750 0.000 2.405 117 N HA -0.217 4.524 4.740 0.001 0.000 0.189 117 N C 0.909 176.189 175.510 -0.383 0.000 1.021 117 N CA 1.495 54.140 53.050 -0.676 0.000 0.891 117 N CB -0.266 37.386 38.487 -1.391 0.000 0.955 117 N HN 0.638 nan 8.380 nan 0.000 0.443 118 H N -0.332 118.525 119.070 -0.355 0.000 2.592 118 H HA 0.163 4.720 4.556 0.001 0.000 0.265 118 H C 0.253 175.394 175.328 -0.312 0.000 0.955 118 H CA 0.069 56.002 56.048 -0.192 0.000 1.175 118 H CB 0.498 30.177 29.762 -0.139 0.000 1.433 118 H HN 0.203 nan 8.280 nan 0.000 0.537 119 E N 1.693 121.630 120.200 -0.438 0.000 2.705 119 E HA 0.002 4.353 4.350 0.001 0.000 0.272 119 E C -0.228 176.197 176.600 -0.291 0.000 1.528 119 E CA -0.221 55.660 56.400 -0.865 0.000 1.750 119 E CB -0.233 28.936 29.700 -0.884 0.000 1.439 119 E HN 0.253 nan 8.360 nan 0.000 0.449 120 S N -1.458 114.226 115.700 -0.025 0.000 2.594 120 S HA 0.403 4.873 4.470 0.001 0.000 0.296 120 S C 0.822 175.596 174.600 0.291 0.000 1.124 120 S CA -0.997 57.287 58.200 0.140 0.000 1.011 120 S CB 1.775 65.041 63.200 0.110 0.000 1.016 120 S HN 0.168 nan 8.310 nan 0.000 0.485 121 R N 1.981 122.683 120.500 0.336 0.000 2.162 121 R HA -0.267 4.073 4.340 0.001 0.000 0.245 121 R C 2.242 178.848 176.300 0.511 0.000 1.129 121 R CA 2.421 58.844 56.100 0.539 0.000 0.940 121 R CB -0.753 29.828 30.300 0.468 0.000 0.875 121 R HN 0.878 nan 8.270 nan 0.000 0.437 122 Q N 0.561 120.541 119.800 0.301 0.000 2.062 122 Q HA -0.235 4.105 4.340 0.001 0.000 0.209 122 Q C 2.124 178.243 176.000 0.197 0.000 0.996 122 Q CA 1.975 57.896 55.803 0.196 0.000 0.859 122 Q CB -0.104 28.705 28.738 0.119 0.000 0.920 122 Q HN 0.266 nan 8.270 nan 0.000 0.415 123 I N 0.657 121.373 120.570 0.244 0.000 2.226 123 I HA -0.270 3.900 4.170 0.001 0.000 0.245 123 I C 2.697 179.069 176.117 0.425 0.000 1.100 123 I CA 1.895 63.385 61.300 0.317 0.000 1.374 123 I CB -0.848 37.327 38.000 0.291 0.000 1.057 123 I HN 0.448 nan 8.210 nan 0.000 0.413 124 T N -1.539 113.324 114.554 0.514 0.000 2.759 124 T HA -0.263 4.088 4.350 0.001 0.000 0.269 124 T C 1.811 176.821 174.700 0.518 0.000 1.042 124 T CA 1.461 63.967 62.100 0.676 0.000 1.140 124 T CB -0.483 69.010 68.868 1.042 0.000 0.864 124 T HN 0.438 nan 8.240 nan 0.000 0.455 125 Q N 0.329 120.326 119.800 0.327 0.000 2.046 125 Q HA -0.032 4.308 4.340 0.001 0.000 0.200 125 Q C 2.724 178.703 176.000 -0.036 0.000 0.975 125 Q CA 1.618 57.409 55.803 -0.020 0.000 0.836 125 Q CB -0.445 28.139 28.738 -0.256 0.000 0.896 125 Q HN 0.479 nan 8.270 nan 0.000 0.428 126 V N -0.068 119.810 119.914 -0.060 0.000 2.261 126 V HA -0.243 3.877 4.120 0.001 0.000 0.246 126 V C 1.514 177.439 176.094 -0.282 0.000 1.047 126 V CA 1.751 63.898 62.300 -0.254 0.000 1.015 126 V CB -0.508 31.022 31.823 -0.488 0.000 0.642 126 V HN 0.339 nan 8.190 nan 0.000 0.446 127 Y N -0.062 120.341 120.300 0.172 0.000 2.466 127 Y HA 0.474 5.024 4.550 0.001 0.000 0.272 127 Y C 1.481 177.484 175.900 0.172 0.000 1.169 127 Y CA 0.438 58.643 58.100 0.176 0.000 1.285 127 Y CB 0.443 39.056 38.460 0.255 0.000 1.078 127 Y HN 0.321 nan 8.280 nan 0.000 0.523 128 G N -0.911 108.076 108.800 0.312 0.000 2.893 128 G HA2 -0.299 3.661 3.960 0.001 0.000 0.160 128 G HA3 -0.299 3.661 3.960 0.001 0.000 0.160 128 G C 0.992 176.092 174.900 0.334 0.000 2.432 128 G CA -0.062 45.203 45.100 0.276 0.000 1.388 128 G HN 0.064 nan 8.290 nan 0.000 0.415 129 F N 1.417 121.515 119.950 0.246 0.000 2.071 129 F HA -0.282 4.245 4.527 0.001 0.000 0.291 129 F C 2.111 178.115 175.800 0.340 0.000 1.070 129 F CA 2.944 61.117 58.000 0.289 0.000 1.262 129 F CB -0.849 38.379 39.000 0.380 0.000 0.983 129 F HN 0.449 nan 8.300 nan 0.000 0.493 130 Y N 1.212 121.573 120.300 0.103 0.000 2.036 130 Y HA -0.283 4.268 4.550 0.001 0.000 0.273 130 Y C 2.485 178.255 175.900 -0.216 0.000 1.135 130 Y CA 2.314 60.264 58.100 -0.251 0.000 1.106 130 Y CB -1.051 37.149 38.460 -0.432 0.000 0.976 130 Y HN 0.117 nan 8.280 nan 0.000 0.483 131 D N 0.229 120.615 120.400 -0.023 0.000 2.127 131 D HA -0.273 4.367 4.640 0.001 0.000 0.190 131 D C 2.121 178.317 176.300 -0.174 0.000 1.000 131 D CA 1.923 55.858 54.000 -0.108 0.000 0.839 131 D CB -0.726 40.099 40.800 0.042 0.000 0.955 131 D HN 0.632 nan 8.370 nan 0.000 0.446 132 E N -0.187 119.959 120.200 -0.089 0.000 2.136 132 E HA -0.268 4.082 4.350 0.001 0.000 0.202 132 E C 1.980 178.486 176.600 -0.157 0.000 1.019 132 E CA 1.673 58.008 56.400 -0.108 0.000 0.819 132 E CB -0.111 29.579 29.700 -0.016 0.000 0.739 132 E HN 0.291 nan 8.360 nan 0.000 0.458 133 C N -0.171 119.002 119.300 -0.211 0.000 2.432 133 C HA -0.135 4.325 4.460 0.001 0.000 0.277 133 C C 2.500 177.434 174.990 -0.093 0.000 1.249 133 C CA 0.395 59.358 59.018 -0.092 0.000 1.725 133 C CB -0.990 26.681 27.740 -0.115 0.000 2.028 133 C HN 0.431 nan 8.230 nan 0.000 0.477 134 L N 0.722 121.806 121.223 -0.232 0.000 1.976 134 L HA -0.101 4.240 4.340 0.001 0.000 0.209 134 L C 2.621 179.420 176.870 -0.119 0.000 1.071 134 L CA 1.712 56.447 54.840 -0.174 0.000 0.746 134 L CB -1.019 40.901 42.059 -0.231 0.000 0.890 134 L HN 0.250 nan 8.230 nan 0.000 0.432 135 R N -0.479 119.941 120.500 -0.133 0.000 2.226 135 R HA -0.203 4.137 4.340 0.001 0.000 0.246 135 R C 1.824 178.033 176.300 -0.152 0.000 1.161 135 R CA 1.497 57.526 56.100 -0.118 0.000 0.997 135 R CB 0.055 30.285 30.300 -0.117 0.000 0.870 135 R HN 0.379 nan 8.270 nan 0.000 0.465 136 K N -2.366 117.912 120.400 -0.203 0.000 2.387 136 K HA 0.050 4.370 4.320 0.001 0.000 0.197 136 K C 0.318 176.669 176.600 -0.415 0.000 1.127 136 K CA 0.331 56.411 56.287 -0.346 0.000 0.950 136 K CB 0.649 32.844 32.500 -0.509 0.000 1.017 136 K HN 0.104 nan 8.250 nan 0.000 0.519 137 Y N -0.141 120.126 120.300 -0.054 0.000 2.612 137 Y HA 0.235 4.786 4.550 0.001 0.000 0.250 137 Y C 1.322 177.201 175.900 -0.036 0.000 1.175 137 Y CA 0.031 58.111 58.100 -0.033 0.000 1.205 137 Y CB 0.977 39.430 38.460 -0.011 0.000 1.201 137 Y HN 0.244 nan 8.280 nan 0.000 0.532 138 G N 1.251 110.084 108.800 0.055 0.000 4.300 138 G HA2 -0.471 3.489 3.960 0.001 0.000 0.222 138 G HA3 -0.471 3.489 3.960 0.001 0.000 0.222 138 G C 0.577 175.483 174.900 0.009 0.000 1.344 138 G CA 1.005 46.118 45.100 0.023 0.000 1.014 138 G HN 0.548 nan 8.290 nan 0.000 0.641 139 N N 0.563 119.284 118.700 0.035 0.000 2.538 139 N HA 0.684 5.424 4.740 0.001 0.000 0.292 139 N C 0.096 175.597 175.510 -0.016 0.000 1.262 139 N CA 0.251 53.307 53.050 0.010 0.000 0.976 139 N CB 1.103 39.607 38.487 0.028 0.000 1.161 139 N HN 1.162 nan 8.380 nan 0.000 0.598 140 A N -0.456 122.347 122.820 -0.029 0.000 3.257 140 A HA 0.336 4.656 4.320 0.001 0.000 0.308 140 A C 0.036 177.647 177.584 0.045 0.000 1.175 140 A CA -0.747 51.262 52.037 -0.046 0.000 1.018 140 A CB -1.060 17.883 19.000 -0.095 0.000 1.088 140 A HN 0.655 nan 8.150 nan 0.000 0.567 141 N N -0.534 118.180 118.700 0.023 0.000 2.499 141 N HA -0.043 4.698 4.740 0.001 0.000 0.182 141 N C 1.586 177.069 175.510 -0.044 0.000 1.034 141 N CA 1.091 54.081 53.050 -0.099 0.000 0.882 141 N CB 0.308 38.825 38.487 0.049 0.000 1.125 141 N HN 0.298 nan 8.380 nan 0.000 0.436 142 V N 0.652 120.658 119.914 0.152 0.000 2.720 142 V HA -0.188 3.933 4.120 0.001 0.000 0.256 142 V C 1.986 178.217 176.094 0.229 0.000 1.082 142 V CA 1.192 63.607 62.300 0.190 0.000 1.101 142 V CB -0.644 31.102 31.823 -0.127 0.000 0.693 142 V HN 0.376 nan 8.190 nan 0.000 0.479 143 W N 1.572 122.859 121.300 -0.022 0.000 2.352 143 W HA -0.193 4.467 4.660 0.001 0.000 0.322 143 W C 2.632 179.191 176.519 0.066 0.000 1.208 143 W CA 2.206 59.529 57.345 -0.037 0.000 1.286 143 W CB -0.375 29.015 29.460 -0.116 0.000 1.167 143 W HN 0.110 nan 8.180 nan 0.000 0.469 144 K N -0.701 119.675 120.400 -0.040 0.000 2.000 144 K HA -0.336 3.984 4.320 0.001 0.000 0.218 144 K C 2.087 178.504 176.600 -0.304 0.000 1.053 144 K CA 2.661 58.776 56.287 -0.286 0.000 0.946 144 K CB -1.353 31.008 32.500 -0.232 0.000 0.723 144 K HN 0.321 nan 8.250 nan 0.000 0.446 145 Y N -0.618 119.589 120.300 -0.155 0.000 2.096 145 Y HA -0.316 4.234 4.550 0.000 0.000 0.276 145 Y C 2.301 178.010 175.900 -0.319 0.000 1.209 145 Y CA 1.614 59.567 58.100 -0.245 0.000 1.137 145 Y CB -0.446 37.815 38.460 -0.332 0.000 0.956 145 Y HN 0.140 nan 8.280 nan 0.000 0.506 146 F N -0.255 119.605 119.950 -0.149 0.000 2.187 146 F HA -0.154 4.373 4.527 0.000 0.000 0.295 146 F C 2.748 178.022 175.800 -0.876 0.000 1.091 146 F CA 1.569 59.325 58.000 -0.408 0.000 1.308 146 F CB -1.198 37.681 39.000 -0.201 0.000 1.030 146 F HN 0.087 nan 8.300 nan 0.000 0.487 147 T N -2.589 111.666 114.554 -0.497 0.000 2.849 147 T HA -0.186 4.165 4.350 0.001 0.000 0.270 147 T C 1.464 176.073 174.700 -0.152 0.000 1.066 147 T CA 1.732 63.593 62.100 -0.397 0.000 1.130 147 T CB -0.422 67.989 68.868 -0.762 0.000 0.864 147 T HN 0.149 nan 8.240 nan 0.000 0.481 148 D N 1.096 121.408 120.400 -0.148 0.000 2.149 148 D HA 0.057 4.697 4.640 0.001 0.000 0.206 148 D C 2.086 178.497 176.300 0.185 0.000 0.967 148 D CA 0.562 54.585 54.000 0.038 0.000 0.848 148 D CB -0.575 40.255 40.800 0.051 0.000 0.998 148 D HN 0.298 nan 8.370 nan 0.000 0.474 149 L N 0.799 122.067 121.223 0.074 0.000 2.089 149 L HA -0.209 4.131 4.340 0.001 0.000 0.213 149 L C 2.009 179.089 176.870 0.350 0.000 1.079 149 L CA 1.398 56.345 54.840 0.177 0.000 0.758 149 L CB -0.642 41.438 42.059 0.034 0.000 0.891 149 L HN -0.149 nan 8.230 nan 0.000 0.433 150 F N 0.245 120.331 119.950 0.227 0.000 2.154 150 F HA -0.249 4.279 4.527 0.001 0.000 0.301 150 F C 2.422 178.289 175.800 0.112 0.000 1.087 150 F CA 1.355 59.450 58.000 0.159 0.000 1.274 150 F CB -1.287 37.773 39.000 0.100 0.000 1.009 150 F HN 0.252 nan 8.300 nan 0.000 0.485 151 D N -0.949 119.600 120.400 0.249 0.000 2.149 151 D HA -0.223 4.418 4.640 0.001 0.000 0.198 151 D C 2.050 178.287 176.300 -0.105 0.000 0.990 151 D CA 1.451 55.442 54.000 -0.015 0.000 0.839 151 D CB -0.606 40.062 40.800 -0.219 0.000 0.948 151 D HN 0.347 nan 8.370 nan 0.000 0.460 152 Y N 0.757 121.136 120.300 0.132 0.000 2.571 152 Y HA 0.073 4.623 4.550 0.001 0.000 0.294 152 Y C 1.144 177.118 175.900 0.123 0.000 1.141 152 Y CA -0.114 58.053 58.100 0.112 0.000 1.308 152 Y CB -0.405 38.112 38.460 0.095 0.000 1.002 152 Y HN -0.122 nan 8.280 nan 0.000 0.551 153 L N 4.423 125.805 121.223 0.265 0.000 2.513 153 L HA 0.044 4.385 4.340 0.001 0.000 0.272 153 L C -1.920 175.042 176.870 0.153 0.000 1.187 153 L CA -1.746 53.224 54.840 0.216 0.000 0.895 153 L CB 0.073 42.264 42.059 0.219 0.000 1.147 153 L HN -0.083 nan 8.230 nan 0.000 0.483 154 P HA -0.008 nan 4.420 nan 0.000 0.269 154 P C 0.508 177.868 177.300 0.100 0.000 1.215 154 P CA -0.088 63.085 63.100 0.122 0.000 0.780 154 P CB 0.934 32.709 31.700 0.124 0.000 0.898 155 L N 0.206 121.487 121.223 0.096 0.000 2.307 155 L HA 0.077 4.418 4.340 0.001 0.000 0.211 155 L C 1.452 178.356 176.870 0.058 0.000 1.099 155 L CA 1.047 55.934 54.840 0.079 0.000 0.816 155 L CB -0.641 41.478 42.059 0.100 0.000 0.952 155 L HN 0.523 nan 8.230 nan 0.000 0.455 156 T N -2.750 111.850 114.554 0.078 0.000 2.778 156 T HA 0.795 5.145 4.350 0.001 0.000 0.293 156 T C -0.958 173.762 174.700 0.032 0.000 1.144 156 T CA -0.530 61.570 62.100 0.000 0.000 1.010 156 T CB 2.681 71.586 68.868 0.061 0.000 1.325 156 T HN 0.026 nan 8.240 nan 0.000 0.515 157 A N 0.365 123.157 122.820 -0.046 0.000 2.486 157 A HA 0.800 5.121 4.320 0.001 0.000 0.300 157 A C -1.792 175.857 177.584 0.108 0.000 1.048 157 A CA -0.744 51.316 52.037 0.039 0.000 0.696 157 A CB 1.727 20.732 19.000 0.009 0.000 1.278 157 A HN 0.920 nan 8.150 nan 0.000 0.405 158 L N 2.798 124.112 121.223 0.152 0.000 2.415 158 L HA 0.556 4.896 4.340 0.001 0.000 0.268 158 L C -0.763 176.174 176.870 0.111 0.000 0.984 158 L CA -0.362 54.586 54.840 0.180 0.000 0.853 158 L CB 1.800 43.978 42.059 0.199 0.000 1.215 158 L HN 0.580 nan 8.230 nan 0.000 0.419 159 V N 1.765 121.734 119.914 0.093 0.000 2.389 159 V HA 0.373 4.493 4.120 0.001 0.000 0.264 159 V C 0.283 176.414 176.094 0.062 0.000 1.049 159 V CA -0.650 61.688 62.300 0.063 0.000 0.932 159 V CB 0.543 32.393 31.823 0.045 0.000 1.011 159 V HN 0.839 nan 8.190 nan 0.000 0.475 160 D N 4.248 124.679 120.400 0.052 0.000 2.686 160 D HA -0.168 4.472 4.640 0.001 0.000 0.235 160 D C 1.570 177.900 176.300 0.049 0.000 1.160 160 D CA 1.771 55.798 54.000 0.044 0.000 0.645 160 D CB -1.073 39.749 40.800 0.037 0.000 1.039 160 D HN 1.437 nan 8.370 nan 0.000 0.423 161 G N -0.471 108.363 108.800 0.056 0.000 2.524 161 G HA2 -0.505 3.455 3.960 0.001 0.000 0.252 161 G HA3 -0.505 3.455 3.960 0.001 0.000 0.252 161 G C 1.111 176.046 174.900 0.059 0.000 0.990 161 G CA 1.206 46.338 45.100 0.054 0.000 0.653 161 G HN 0.557 nan 8.290 nan 0.000 0.576 162 Q N -0.508 119.330 119.800 0.063 0.000 2.187 162 Q HA 0.241 4.581 4.340 0.001 0.000 0.199 162 Q C 1.081 177.143 176.000 0.103 0.000 0.957 162 Q CA 0.728 56.574 55.803 0.071 0.000 0.857 162 Q CB 0.194 28.974 28.738 0.070 0.000 0.929 162 Q HN 0.669 nan 8.270 nan 0.000 0.453 163 I N 0.447 121.088 120.570 0.119 0.000 2.404 163 I HA 0.228 4.399 4.170 0.001 0.000 0.293 163 I C -0.878 175.374 176.117 0.225 0.000 0.992 163 I CA -0.928 60.461 61.300 0.148 0.000 1.149 163 I CB 1.296 39.351 38.000 0.092 0.000 1.315 163 I HN -0.101 nan 8.210 nan 0.000 0.446 164 F N 6.190 126.188 119.950 0.080 0.000 2.420 164 F HA 0.552 5.079 4.527 0.001 0.000 0.342 164 F C -0.460 175.391 175.800 0.085 0.000 1.113 164 F CA -0.921 57.142 58.000 0.105 0.000 1.059 164 F CB 0.919 40.025 39.000 0.177 0.000 1.128 164 F HN 0.390 nan 8.300 nan 0.000 0.475 165 C N 7.450 126.435 119.300 -0.524 0.000 2.498 165 C HA 0.859 5.319 4.460 0.001 0.000 0.316 165 C C -0.573 174.057 174.990 -0.601 0.000 1.209 165 C CA -1.058 57.695 59.018 -0.442 0.000 1.518 165 C CB 0.657 28.291 27.740 -0.178 0.000 2.147 165 C HN 0.913 nan 8.230 nan 0.000 0.483 166 L N 0.752 121.736 121.223 -0.398 0.000 2.710 166 L HA 0.507 4.847 4.340 0.001 0.000 0.260 166 L C 0.504 177.300 176.870 -0.124 0.000 0.993 166 L CA -0.642 54.043 54.840 -0.258 0.000 0.877 166 L CB 1.119 43.005 42.059 -0.289 0.000 1.461 166 L HN 0.715 nan 8.230 nan 0.000 0.413 167 H N 1.617 120.589 119.070 -0.163 0.000 2.253 167 H HA 0.070 4.626 4.556 0.001 0.000 0.299 167 H C 1.427 176.654 175.328 -0.169 0.000 1.064 167 H CA 2.814 58.755 56.048 -0.177 0.000 1.264 167 H CB -0.051 29.557 29.762 -0.256 0.000 1.371 167 H HN 0.858 nan 8.280 nan 0.000 0.493 168 G N -1.378 107.243 108.800 -0.298 0.000 2.688 168 G HA2 0.369 4.330 3.960 0.001 0.000 0.211 168 G HA3 0.369 4.330 3.960 0.001 0.000 0.211 168 G C 0.511 175.400 174.900 -0.019 0.000 1.399 168 G CA 0.536 45.449 45.100 -0.312 0.000 0.901 168 G HN 0.842 nan 8.290 nan 0.000 0.555 169 G N -1.775 107.108 108.800 0.137 0.000 2.428 169 G HA2 0.440 4.400 3.960 0.001 0.000 0.305 169 G HA3 0.440 4.400 3.960 0.001 0.000 0.305 169 G C -1.280 173.849 174.900 0.382 0.000 1.260 169 G CA -0.854 44.494 45.100 0.414 0.000 0.853 169 G HN 0.447 nan 8.290 nan 0.000 0.480 170 L N 0.636 122.117 121.223 0.431 0.000 2.436 170 L HA 0.619 4.959 4.340 0.001 0.000 0.265 170 L C 0.716 177.957 176.870 0.618 0.000 1.168 170 L CA -0.258 54.658 54.840 0.127 0.000 0.815 170 L CB 1.435 43.198 42.059 -0.492 0.000 1.109 170 L HN 0.479 nan 8.230 nan 0.000 0.462 171 S N 0.662 116.643 115.700 0.468 0.000 2.541 171 S HA 0.499 4.969 4.470 0.001 0.000 0.280 171 S C -2.148 172.444 174.600 -0.014 0.000 1.112 171 S CA -1.402 56.959 58.200 0.269 0.000 0.925 171 S CB 1.928 65.226 63.200 0.163 0.000 1.067 171 S HN 0.271 nan 8.310 nan 0.000 0.479 172 P HA -0.065 nan 4.420 nan 0.000 0.212 172 P C 1.191 178.359 177.300 -0.220 0.000 1.178 172 P CA 1.294 63.966 63.100 -0.714 0.000 0.915 172 P CB 0.032 31.071 31.700 -1.101 0.000 0.788 173 S N -1.024 114.574 115.700 -0.170 0.000 2.559 173 S HA -0.066 4.404 4.470 0.001 0.000 0.250 173 S C 0.841 175.375 174.600 -0.111 0.000 0.977 173 S CA 0.835 58.970 58.200 -0.108 0.000 0.958 173 S CB -1.044 62.127 63.200 -0.050 0.000 0.751 173 S HN 0.105 nan 8.310 nan 0.000 0.534 174 I N 0.875 121.427 120.570 -0.029 0.000 2.439 174 I HA 0.274 4.444 4.170 0.001 0.000 0.285 174 I C -0.166 176.057 176.117 0.176 0.000 1.021 174 I CA -0.382 60.944 61.300 0.043 0.000 1.091 174 I CB 1.946 40.049 38.000 0.172 0.000 1.242 174 I HN -0.076 nan 8.210 nan 0.000 0.439 175 D N 2.503 122.959 120.400 0.093 0.000 2.463 175 D HA 0.055 4.695 4.640 0.001 0.000 0.237 175 D C 0.994 177.447 176.300 0.255 0.000 1.013 175 D CA 0.973 55.125 54.000 0.253 0.000 0.910 175 D CB 0.957 41.855 40.800 0.162 0.000 1.080 175 D HN 0.610 nan 8.370 nan 0.000 0.498 176 T N -2.430 112.328 114.554 0.339 0.000 2.807 176 T HA 0.448 4.799 4.350 0.001 0.000 0.277 176 T C 1.250 175.967 174.700 0.030 0.000 1.006 176 T CA -0.672 61.457 62.100 0.048 0.000 1.006 176 T CB 1.187 70.068 68.868 0.021 0.000 1.274 176 T HN -0.178 nan 8.240 nan 0.000 0.569 177 L N 0.116 121.276 121.223 -0.105 0.000 2.179 177 L HA 0.078 4.419 4.340 0.001 0.000 0.208 177 L C 2.354 179.237 176.870 0.022 0.000 1.096 177 L CA 0.999 55.805 54.840 -0.057 0.000 0.779 177 L CB -0.394 41.599 42.059 -0.110 0.000 0.922 177 L HN 0.720 nan 8.230 nan 0.000 0.443 178 D N -0.798 119.586 120.400 -0.026 0.000 2.178 178 D HA -0.184 4.456 4.640 0.001 0.000 0.202 178 D C 1.882 178.179 176.300 -0.005 0.000 0.974 178 D CA 1.044 55.020 54.000 -0.039 0.000 0.841 178 D CB -0.088 40.645 40.800 -0.112 0.000 0.953 178 D HN 0.382 nan 8.370 nan 0.000 0.478 179 H N 0.288 119.381 119.070 0.038 0.000 2.518 179 H HA 0.012 4.568 4.556 0.001 0.000 0.289 179 H C 2.121 177.499 175.328 0.084 0.000 1.051 179 H CA 0.528 56.613 56.048 0.061 0.000 1.280 179 H CB 0.355 30.163 29.762 0.077 0.000 1.380 179 H HN 0.295 nan 8.280 nan 0.000 0.566 180 I N -0.433 120.259 120.570 0.203 0.000 2.810 180 I HA -0.078 4.093 4.170 0.001 0.000 0.262 180 I C 2.185 178.387 176.117 0.141 0.000 1.131 180 I CA 0.185 61.596 61.300 0.186 0.000 1.453 180 I CB -0.002 38.133 38.000 0.225 0.000 1.161 180 I HN -0.004 nan 8.210 nan 0.000 0.444 181 R N 1.238 121.806 120.500 0.113 0.000 2.303 181 R HA -0.084 4.257 4.340 0.001 0.000 0.225 181 R C 2.136 178.483 176.300 0.078 0.000 1.114 181 R CA 1.131 57.286 56.100 0.091 0.000 1.007 181 R CB -0.242 30.099 30.300 0.068 0.000 0.861 181 R HN 0.354 nan 8.270 nan 0.000 0.471 182 A N 1.106 123.976 122.820 0.083 0.000 1.975 182 A HA 0.061 4.382 4.320 0.001 0.000 0.215 182 A C 1.145 178.775 177.584 0.078 0.000 1.170 182 A CA 0.115 52.196 52.037 0.073 0.000 0.656 182 A CB -0.074 18.972 19.000 0.077 0.000 0.821 182 A HN 0.102 nan 8.150 nan 0.000 0.449 183 L N -0.064 121.214 121.223 0.092 0.000 2.473 183 L HA 0.002 4.342 4.340 0.001 0.000 0.280 183 L C 0.024 176.934 176.870 0.067 0.000 1.266 183 L CA 0.337 55.226 54.840 0.082 0.000 0.824 183 L CB 0.083 42.200 42.059 0.096 0.000 1.091 183 L HN 0.296 nan 8.230 nan 0.000 0.534 184 D N -0.934 119.498 120.400 0.054 0.000 2.446 184 D HA 0.198 4.838 4.640 0.001 0.000 0.251 184 D C 0.782 177.099 176.300 0.028 0.000 1.137 184 D CA -0.541 53.483 54.000 0.039 0.000 0.890 184 D CB 0.711 41.529 40.800 0.031 0.000 1.071 184 D HN 0.373 nan 8.370 nan 0.000 0.528 185 R N 3.114 123.631 120.500 0.028 0.000 2.236 185 R HA 0.091 4.431 4.340 0.001 0.000 0.208 185 R C 0.500 176.778 176.300 -0.037 0.000 1.036 185 R CA 0.277 56.387 56.100 0.016 0.000 1.001 185 R CB -0.222 30.101 30.300 0.039 0.000 0.896 185 R HN 0.354 nan 8.270 nan 0.000 0.464 186 L N 3.426 124.606 121.223 -0.071 0.000 3.240 186 L HA 0.001 4.341 4.340 0.001 0.000 0.241 186 L C -0.191 176.596 176.870 -0.139 0.000 1.473 186 L CA 0.327 55.055 54.840 -0.187 0.000 1.114 186 L CB -1.258 40.698 42.059 -0.172 0.000 1.479 186 L HN 0.461 nan 8.230 nan 0.000 0.451 187 Q N -1.598 118.148 119.800 -0.089 0.000 2.687 187 Q HA 0.434 4.774 4.340 0.001 0.000 0.295 187 Q C -1.060 174.936 176.000 -0.006 0.000 0.920 187 Q CA -1.099 54.681 55.803 -0.039 0.000 0.766 187 Q CB 1.218 29.951 28.738 -0.008 0.000 1.467 187 Q HN 0.050 nan 8.270 nan 0.000 0.415 188 E N 0.399 120.612 120.200 0.022 0.000 2.373 188 E HA 0.251 4.601 4.350 0.001 0.000 0.267 188 E C -0.773 175.847 176.600 0.033 0.000 1.032 188 E CA -0.397 56.030 56.400 0.045 0.000 0.889 188 E CB 1.136 30.877 29.700 0.068 0.000 0.984 188 E HN 0.442 nan 8.360 nan 0.000 0.425 189 V N 7.139 127.072 119.914 0.032 0.000 2.555 189 V HA 0.024 4.144 4.120 0.001 0.000 0.299 189 V C -1.832 174.236 176.094 -0.044 0.000 1.012 189 V CA -0.620 61.692 62.300 0.020 0.000 1.180 189 V CB -0.292 31.568 31.823 0.063 0.000 0.887 189 V HN 0.784 nan 8.190 nan 0.000 0.476 190 P HA 0.256 nan 4.420 nan 0.000 0.274 190 P C 0.270 177.486 177.300 -0.140 0.000 1.246 190 P CA -0.364 62.725 63.100 -0.019 0.000 0.795 190 P CB 0.533 32.250 31.700 0.029 0.000 1.006 191 H N -1.228 117.784 119.070 -0.097 0.000 2.529 191 H HA 0.042 4.599 4.556 0.001 0.000 0.277 191 H C 0.429 175.637 175.328 -0.201 0.000 0.999 191 H CA 0.809 56.752 56.048 -0.175 0.000 1.256 191 H CB 0.036 29.712 29.762 -0.142 0.000 1.402 191 H HN 0.495 nan 8.280 nan 0.000 0.566 192 E N -1.348 118.834 120.200 -0.029 0.000 2.412 192 E HA 0.567 4.917 4.350 0.001 0.000 0.279 192 E C -0.341 176.238 176.600 -0.035 0.000 0.984 192 E CA -0.932 55.425 56.400 -0.071 0.000 0.788 192 E CB 2.500 32.172 29.700 -0.047 0.000 1.277 192 E HN 0.164 nan 8.360 nan 0.000 0.455 193 G N 0.966 109.743 108.800 -0.037 0.000 2.354 193 G HA2 0.002 3.962 3.960 0.001 0.000 0.582 193 G HA3 0.002 3.962 3.960 0.001 0.000 0.582 193 G C -2.580 172.328 174.900 0.013 0.000 1.316 193 G CA -0.303 44.797 45.100 0.000 0.000 0.995 193 G HN 0.427 nan 8.290 nan 0.000 0.573 194 P HA -0.135 nan 4.420 nan 0.000 0.214 194 P C 2.121 179.469 177.300 0.080 0.000 1.162 194 P CA 1.950 65.086 63.100 0.061 0.000 0.874 194 P CB 0.075 31.815 31.700 0.066 0.000 0.784 195 M N -0.175 119.469 119.600 0.073 0.000 2.082 195 M HA -0.216 4.264 4.480 0.001 0.000 0.258 195 M C 2.553 178.907 176.300 0.090 0.000 1.071 195 M CA 2.470 57.818 55.300 0.081 0.000 1.103 195 M CB -0.977 31.661 32.600 0.064 0.000 1.307 195 M HN 0.050 nan 8.290 nan 0.000 0.409 196 C N 1.159 120.501 119.300 0.070 0.000 2.398 196 C HA -0.229 4.231 4.460 0.001 0.000 0.276 196 C C 2.231 177.319 174.990 0.162 0.000 1.222 196 C CA 1.932 61.009 59.018 0.099 0.000 1.746 196 C CB -1.394 26.326 27.740 -0.033 0.000 2.039 196 C HN 0.632 nan 8.230 nan 0.000 0.470 197 D N 0.490 120.935 120.400 0.074 0.000 2.106 197 D HA -0.142 4.499 4.640 0.001 0.000 0.191 197 D C 2.166 178.559 176.300 0.154 0.000 0.997 197 D CA 1.623 55.676 54.000 0.090 0.000 0.834 197 D CB -0.614 40.232 40.800 0.076 0.000 0.956 197 D HN 0.573 nan 8.370 nan 0.000 0.448 198 L N 0.047 121.357 121.223 0.145 0.000 2.137 198 L HA -0.224 4.117 4.340 0.001 0.000 0.213 198 L C 1.979 178.883 176.870 0.057 0.000 1.085 198 L CA 0.712 55.631 54.840 0.132 0.000 0.760 198 L CB -0.188 41.953 42.059 0.136 0.000 0.893 198 L HN 0.079 nan 8.230 nan 0.000 0.434 199 L N -3.097 118.157 121.223 0.053 0.000 2.607 199 L HA 0.007 4.347 4.340 0.001 0.000 0.228 199 L C 1.121 177.746 176.870 -0.409 0.000 1.123 199 L CA 1.046 55.822 54.840 -0.107 0.000 0.890 199 L CB -0.114 41.909 42.059 -0.060 0.000 1.103 199 L HN 0.232 nan 8.230 nan 0.000 0.468 200 W N -2.334 118.857 121.300 -0.180 0.000 2.974 200 W HA 0.281 4.941 4.660 0.001 0.000 0.250 200 W C 1.285 177.760 176.519 -0.074 0.000 1.074 200 W CA -0.152 57.085 57.345 -0.180 0.000 1.410 200 W CB -0.014 29.387 29.460 -0.098 0.000 0.846 200 W HN -0.276 nan 8.180 nan 0.000 0.680 201 S N 1.913 117.707 115.700 0.158 0.000 2.560 201 S HA 0.044 4.514 4.470 0.001 0.000 0.276 201 S C -0.080 174.531 174.600 0.019 0.000 1.350 201 S CA 0.310 58.597 58.200 0.145 0.000 1.024 201 S CB 0.363 63.760 63.200 0.329 0.000 0.864 201 S HN 0.059 nan 8.310 nan 0.000 0.536 202 D N 1.020 121.281 120.400 -0.233 0.000 2.610 202 D HA 0.455 5.096 4.640 0.001 0.000 0.271 202 D C -2.887 172.766 176.300 -1.078 0.000 1.174 202 D CA -1.276 52.495 54.000 -0.381 0.000 0.949 202 D CB 2.097 42.799 40.800 -0.164 0.000 1.430 202 D HN 0.238 nan 8.370 nan 0.000 0.467 203 P HA 0.366 nan 4.420 nan 0.000 0.298 203 P C -1.131 176.029 177.300 -0.235 0.000 1.314 203 P CA -0.263 62.502 63.100 -0.559 0.000 0.854 203 P CB 2.033 33.630 31.700 -0.171 0.000 1.019 204 D N 0.331 120.732 120.400 0.003 0.000 2.490 204 D HA 0.201 4.841 4.640 0.001 0.000 0.232 204 D C 0.258 176.671 176.300 0.189 0.000 1.053 204 D CA -0.275 53.758 54.000 0.055 0.000 0.914 204 D CB 1.675 42.479 40.800 0.007 0.000 1.431 204 D HN 0.324 nan 8.370 nan 0.000 0.483 205 D N 0.498 120.954 120.400 0.092 0.000 2.395 205 D HA 0.012 4.652 4.640 0.001 0.000 0.213 205 D C 0.720 177.043 176.300 0.038 0.000 1.110 205 D CA -0.187 53.861 54.000 0.081 0.000 0.835 205 D CB 0.479 41.311 40.800 0.053 0.000 0.965 205 D HN 0.048 nan 8.370 nan 0.000 0.505 206 R N 1.039 121.558 120.500 0.032 0.000 2.317 206 R HA 0.248 4.588 4.340 0.001 0.000 0.208 206 R C 1.071 177.375 176.300 0.006 0.000 0.914 206 R CA 0.415 56.526 56.100 0.019 0.000 1.060 206 R CB -0.636 29.679 30.300 0.025 0.000 1.015 206 R HN 0.281 nan 8.270 nan 0.000 0.498 207 G N 0.957 109.752 108.800 -0.008 0.000 3.188 207 G HA2 0.055 4.016 3.960 0.001 0.000 0.683 207 G HA3 0.055 4.016 3.960 0.001 0.000 0.683 207 G C 0.302 175.172 174.900 -0.050 0.000 1.164 207 G CA 0.310 45.381 45.100 -0.048 0.000 1.059 207 G HN 0.615 nan 8.290 nan 0.000 0.570 208 G N 0.901 109.633 108.800 -0.113 0.000 2.757 208 G HA2 0.072 4.033 3.960 0.001 0.000 0.686 208 G HA3 0.072 4.033 3.960 0.001 0.000 0.686 208 G C 0.343 175.211 174.900 -0.053 0.000 1.452 208 G CA 0.268 45.291 45.100 -0.129 0.000 0.922 208 G HN 1.855 nan 8.290 nan 0.000 0.588 209 W N 0.372 121.682 121.300 0.017 0.000 2.513 209 W HA 0.355 5.016 4.660 0.001 0.000 0.339 209 W C 1.171 177.679 176.519 -0.017 0.000 1.257 209 W CA 0.842 58.181 57.345 -0.010 0.000 1.280 209 W CB 0.364 29.748 29.460 -0.126 0.000 1.214 209 W HN 0.917 nan 8.180 nan 0.000 0.567 210 G N 3.176 112.159 108.800 0.305 0.000 2.498 210 G HA2 0.559 4.520 3.960 0.001 0.000 0.312 210 G HA3 0.559 4.520 3.960 0.001 0.000 0.312 210 G C -1.653 173.402 174.900 0.258 0.000 1.230 210 G CA -1.238 43.980 45.100 0.197 0.000 0.968 210 G HN 0.369 nan 8.290 nan 0.000 0.481 211 I N 1.113 121.802 120.570 0.200 0.000 2.471 211 I HA 0.386 4.556 4.170 0.001 0.000 0.286 211 I C 0.842 177.058 176.117 0.165 0.000 1.079 211 I CA -0.443 61.000 61.300 0.238 0.000 1.398 211 I CB 1.293 39.387 38.000 0.155 0.000 1.403 211 I HN 0.293 nan 8.210 nan 0.000 0.530 212 S N 9.221 125.014 115.700 0.155 0.000 2.488 212 S HA 0.325 4.795 4.470 0.001 0.000 0.278 212 S C -1.298 173.336 174.600 0.056 0.000 1.259 212 S CA -1.006 57.247 58.200 0.088 0.000 1.061 212 S CB 0.440 63.681 63.200 0.069 0.000 0.910 212 S HN 0.644 nan 8.310 nan 0.000 0.491 213 P HA -0.003 nan 4.420 nan 0.000 0.239 213 P C 0.770 178.097 177.300 0.045 0.000 1.184 213 P CA 0.340 63.463 63.100 0.037 0.000 0.760 213 P CB 0.194 31.910 31.700 0.027 0.000 0.884 214 R N -0.280 120.261 120.500 0.068 0.000 2.046 214 R HA 0.185 4.525 4.340 0.001 0.000 0.223 214 R C 1.831 178.157 176.300 0.044 0.000 1.179 214 R CA 1.724 57.892 56.100 0.113 0.000 0.952 214 R CB -0.514 29.936 30.300 0.250 0.000 0.843 214 R HN 0.293 nan 8.270 nan 0.000 0.439 215 G N -1.637 107.146 108.800 -0.028 0.000 3.658 215 G HA2 0.106 4.066 3.960 0.001 0.000 0.220 215 G HA3 0.106 4.066 3.960 0.001 0.000 0.220 215 G C -0.503 174.246 174.900 -0.252 0.000 0.917 215 G CA -0.077 44.949 45.100 -0.124 0.000 0.865 215 G HN 0.602 nan 8.290 nan 0.000 0.652 216 A N -0.512 122.142 122.820 -0.278 0.000 2.594 216 A HA 1.034 5.354 4.320 0.001 0.000 0.291 216 A C 0.849 178.312 177.584 -0.202 0.000 1.105 216 A CA 0.717 52.514 52.037 -0.400 0.000 0.694 216 A CB 0.896 19.341 19.000 -0.924 0.000 1.291 216 A HN 2.148 nan 8.150 nan 0.000 0.410 217 G N -1.108 107.491 108.800 -0.334 0.000 0.000 217 G HA2 0.043 4.004 3.960 0.001 0.000 0.000 217 G HA3 0.043 4.004 3.960 0.001 0.000 0.000 217 G C -0.524 174.103 174.900 -0.454 0.000 0.000 217 G CA 0.452 45.359 45.100 -0.320 0.000 0.000 217 G HN 1.522 nan 8.290 nan 0.000 0.000 218 Y N -1.657 118.730 120.300 0.145 0.000 2.773 218 Y HA 0.698 5.249 4.550 0.001 0.000 0.323 218 Y C 1.047 177.033 175.900 0.143 0.000 1.183 218 Y CA -0.209 57.996 58.100 0.174 0.000 1.144 218 Y CB 1.950 40.564 38.460 0.257 0.000 1.340 218 Y HN 0.863 nan 8.280 nan 0.000 0.531 219 T N -0.493 114.266 114.554 0.342 0.000 3.332 219 T HA 0.386 4.737 4.350 0.001 0.000 0.385 219 T C -0.517 174.194 174.700 0.019 0.000 1.695 219 T CA -0.773 61.347 62.100 0.033 0.000 1.397 219 T CB -1.519 67.368 68.868 0.030 0.000 1.100 219 T HN 0.373 nan 8.240 nan 0.000 0.669 220 F N 1.063 121.103 119.950 0.150 0.000 2.587 220 F HA 0.680 5.207 4.527 0.001 0.000 0.319 220 F C 0.667 176.408 175.800 -0.097 0.000 1.253 220 F CA -0.808 57.032 58.000 -0.267 0.000 1.345 220 F CB -0.468 38.226 39.000 -0.511 0.000 1.172 220 F HN 0.613 nan 8.300 nan 0.000 0.588 221 G N -0.855 108.008 108.800 0.105 0.000 2.921 221 G HA2 0.326 4.286 3.960 0.001 0.000 0.291 221 G HA3 0.326 4.286 3.960 0.001 0.000 0.291 221 G C -0.287 174.202 174.900 -0.684 0.000 1.370 221 G CA -0.440 44.603 45.100 -0.095 0.000 0.847 221 G HN 0.826 nan 8.290 nan 0.000 0.532 222 Q N -0.441 118.741 119.800 -1.030 0.000 1.978 222 Q HA -0.266 4.074 4.340 0.001 0.000 0.211 222 Q C 2.297 178.065 176.000 -0.388 0.000 1.013 222 Q CA 3.074 58.409 55.803 -0.779 0.000 0.869 222 Q CB -0.260 28.280 28.738 -0.331 0.000 0.953 222 Q HN 0.727 nan 8.270 nan 0.000 0.415 223 D N 0.124 120.365 120.400 -0.265 0.000 2.160 223 D HA -0.265 4.376 4.640 0.001 0.000 0.189 223 D C 1.921 178.101 176.300 -0.201 0.000 1.003 223 D CA 2.119 56.008 54.000 -0.185 0.000 0.846 223 D CB -0.927 39.779 40.800 -0.155 0.000 0.949 223 D HN 0.488 nan 8.370 nan 0.000 0.446 224 I N 1.020 121.415 120.570 -0.291 0.000 2.208 224 I HA -0.264 3.907 4.170 0.001 0.000 0.245 224 I C 2.746 178.702 176.117 -0.267 0.000 1.097 224 I CA 1.203 62.287 61.300 -0.359 0.000 1.363 224 I CB -0.358 37.236 38.000 -0.676 0.000 1.051 224 I HN 0.006 nan 8.210 nan 0.000 0.413 225 S N 0.574 116.114 115.700 -0.267 0.000 2.344 225 S HA -0.201 4.270 4.470 0.001 0.000 0.217 225 S C 1.832 176.425 174.600 -0.011 0.000 1.033 225 S CA 1.384 59.486 58.200 -0.164 0.000 1.017 225 S CB -0.420 62.782 63.200 0.004 0.000 0.941 225 S HN 0.451 nan 8.310 nan 0.000 0.430 226 E N 0.597 120.785 120.200 -0.019 0.000 2.136 226 E HA -0.197 4.154 4.350 0.001 0.000 0.202 226 E C 2.157 178.795 176.600 0.063 0.000 1.019 226 E CA 1.752 58.171 56.400 0.032 0.000 0.819 226 E CB -0.529 29.171 29.700 -0.000 0.000 0.739 226 E HN 0.503 nan 8.360 nan 0.000 0.458 227 T N 0.921 115.491 114.554 0.027 0.000 2.643 227 T HA -0.179 4.171 4.350 0.001 0.000 0.264 227 T C 1.536 176.298 174.700 0.103 0.000 1.045 227 T CA 1.181 63.302 62.100 0.035 0.000 1.155 227 T CB -0.620 68.255 68.868 0.012 0.000 0.863 227 T HN 0.131 nan 8.240 nan 0.000 0.420 228 F N 3.085 123.010 119.950 -0.042 0.000 2.045 228 F HA -0.269 4.259 4.527 0.001 0.000 0.297 228 F C 2.240 178.027 175.800 -0.022 0.000 1.114 228 F CA 1.479 59.453 58.000 -0.043 0.000 1.207 228 F CB -0.602 38.343 39.000 -0.091 0.000 0.964 228 F HN 0.080 nan 8.300 nan 0.000 0.486 229 N N -0.482 118.306 118.700 0.146 0.000 2.007 229 N HA -0.295 4.445 4.740 0.001 0.000 0.197 229 N C 2.097 177.616 175.510 0.015 0.000 1.050 229 N CA 1.843 54.933 53.050 0.066 0.000 0.856 229 N CB -1.308 37.249 38.487 0.118 0.000 1.050 229 N HN 0.420 nan 8.380 nan 0.000 0.423 230 H N 1.325 120.377 119.070 -0.030 0.000 2.426 230 H HA -0.082 4.474 4.556 0.001 0.000 0.298 230 H C 1.743 177.028 175.328 -0.072 0.000 1.107 230 H CA 1.727 57.752 56.048 -0.037 0.000 1.298 230 H CB -0.175 29.576 29.762 -0.019 0.000 1.377 230 H HN 0.242 nan 8.280 nan 0.000 0.519 231 A N 1.467 124.355 122.820 0.114 0.000 1.824 231 A HA -0.183 4.137 4.320 0.001 0.000 0.215 231 A C 2.270 179.797 177.584 -0.095 0.000 1.209 231 A CA 1.634 53.675 52.037 0.007 0.000 0.614 231 A CB -0.582 18.355 19.000 -0.105 0.000 0.852 231 A HN 0.622 nan 8.150 nan 0.000 0.447 232 N N -0.392 118.159 118.700 -0.249 0.000 2.494 232 N HA 0.087 4.827 4.740 0.001 0.000 0.182 232 N C 0.928 176.337 175.510 -0.168 0.000 1.076 232 N CA 1.068 53.963 53.050 -0.258 0.000 0.908 232 N CB 0.164 38.375 38.487 -0.459 0.000 0.967 232 N HN 0.864 nan 8.380 nan 0.000 0.449 233 G N 0.969 109.687 108.800 -0.137 0.000 2.167 233 G HA2 -0.197 3.763 3.960 0.001 0.000 0.194 233 G HA3 -0.197 3.763 3.960 0.001 0.000 0.194 233 G C -0.400 174.463 174.900 -0.062 0.000 1.027 233 G CA -0.462 44.580 45.100 -0.096 0.000 0.717 233 G HN 0.185 nan 8.290 nan 0.000 0.501 234 L N 0.427 121.616 121.223 -0.057 0.000 2.289 234 L HA 0.572 4.912 4.340 0.001 0.000 0.285 234 L C 1.625 178.527 176.870 0.053 0.000 1.049 234 L CA 0.126 54.976 54.840 0.017 0.000 0.804 234 L CB 1.633 43.717 42.059 0.042 0.000 1.195 234 L HN 0.259 nan 8.230 nan 0.000 0.428 235 T N 3.133 117.735 114.554 0.080 0.000 3.057 235 T HA 0.220 4.571 4.350 0.001 0.000 0.254 235 T C -0.084 174.693 174.700 0.129 0.000 1.094 235 T CA 0.201 62.359 62.100 0.096 0.000 1.088 235 T CB 0.122 69.052 68.868 0.104 0.000 0.934 235 T HN 0.370 nan 8.240 nan 0.000 0.497 236 L N 0.601 121.911 121.223 0.144 0.000 2.643 236 L HA 0.597 4.937 4.340 0.001 0.000 0.257 236 L C -1.969 175.014 176.870 0.188 0.000 0.922 236 L CA -0.777 54.158 54.840 0.159 0.000 0.909 236 L CB 1.808 43.936 42.059 0.115 0.000 1.424 236 L HN -0.177 nan 8.230 nan 0.000 0.422 237 V N 3.229 123.259 119.914 0.194 0.000 2.347 237 V HA 0.614 4.734 4.120 0.001 0.000 0.280 237 V C 0.091 176.242 176.094 0.094 0.000 1.021 237 V CA -0.239 62.193 62.300 0.219 0.000 0.847 237 V CB 1.369 33.326 31.823 0.223 0.000 0.990 237 V HN 0.799 nan 8.190 nan 0.000 0.444 238 S N 6.083 121.801 115.700 0.031 0.000 2.448 238 S HA 0.764 5.235 4.470 0.001 0.000 0.320 238 S C -0.216 174.333 174.600 -0.085 0.000 1.071 238 S CA -0.791 57.384 58.200 -0.041 0.000 1.113 238 S CB 0.189 63.357 63.200 -0.053 0.000 0.972 238 S HN 0.897 nan 8.310 nan 0.000 0.465 239 R N 2.808 123.266 120.500 -0.069 0.000 2.987 239 R HA 0.967 5.308 4.340 0.001 0.000 0.248 239 R C -1.320 174.926 176.300 -0.089 0.000 1.264 239 R CA -0.930 55.117 56.100 -0.087 0.000 1.026 239 R CB 0.608 30.882 30.300 -0.042 0.000 1.286 239 R HN 0.653 nan 8.270 nan 0.000 0.483 240 A N -0.167 122.578 122.820 -0.124 0.000 2.171 240 A HA 0.379 4.700 4.320 0.001 0.000 0.303 240 A C -1.369 176.114 177.584 -0.169 0.000 1.009 240 A CA -0.327 51.654 52.037 -0.095 0.000 1.015 240 A CB -0.314 18.661 19.000 -0.042 0.000 1.372 240 A HN 0.999 nan 8.150 nan 0.000 0.355 241 H N 1.505 120.374 119.070 -0.335 0.000 3.771 241 H HA 0.293 4.849 4.556 0.001 0.000 0.260 241 H C 0.165 175.349 175.328 -0.240 0.000 1.158 241 H CA 1.252 57.002 56.048 -0.496 0.000 1.170 241 H CB 0.624 29.948 29.762 -0.730 0.000 1.539 241 H HN 0.626 nan 8.280 nan 0.000 0.634 242 Q N 1.233 120.837 119.800 -0.327 0.000 2.333 242 Q HA 0.295 4.636 4.340 0.001 0.000 0.267 242 Q C -0.832 174.762 176.000 -0.677 0.000 1.012 242 Q CA -1.395 54.124 55.803 -0.473 0.000 0.824 242 Q CB 2.938 31.475 28.738 -0.336 0.000 1.290 242 Q HN 0.211 nan 8.270 nan 0.000 0.449 243 L N 3.168 123.813 121.223 -0.963 0.000 2.628 243 L HA 0.046 4.386 4.340 0.001 0.000 0.274 243 L C -0.613 175.924 176.870 -0.556 0.000 1.209 243 L CA 0.075 54.195 54.840 -1.201 0.000 0.930 243 L CB 0.552 42.185 42.059 -0.711 0.000 1.183 243 L HN 0.578 nan 8.230 nan 0.000 0.492 244 V N 4.061 123.736 119.914 -0.398 0.000 2.378 244 V HA 0.302 4.423 4.120 0.001 0.000 0.288 244 V C 1.031 177.040 176.094 -0.142 0.000 1.016 244 V CA -0.820 61.347 62.300 -0.221 0.000 0.840 244 V CB 1.439 33.149 31.823 -0.189 0.000 0.994 244 V HN 0.997 nan 8.190 nan 0.000 0.431 245 M N 2.858 122.387 119.600 -0.118 0.000 2.255 245 M HA -0.073 4.408 4.480 0.001 0.000 0.259 245 M C 1.472 177.745 176.300 -0.046 0.000 1.071 245 M CA 1.710 56.971 55.300 -0.064 0.000 1.074 245 M CB -0.465 32.101 32.600 -0.056 0.000 1.384 245 M HN 0.823 nan 8.290 nan 0.000 0.415 246 E N -1.447 118.704 120.200 -0.080 0.000 2.463 246 E HA 0.266 4.616 4.350 0.001 0.000 0.193 246 E C 1.457 178.040 176.600 -0.028 0.000 1.041 246 E CA 0.674 57.031 56.400 -0.072 0.000 0.879 246 E CB -0.122 29.495 29.700 -0.139 0.000 0.997 246 E HN 0.605 nan 8.360 nan 0.000 0.478 247 G N 1.435 110.228 108.800 -0.011 0.000 2.268 247 G HA2 -0.301 3.659 3.960 0.001 0.000 0.240 247 G HA3 -0.301 3.659 3.960 0.001 0.000 0.240 247 G C -0.005 174.952 174.900 0.095 0.000 1.010 247 G CA 0.461 45.573 45.100 0.020 0.000 0.618 247 G HN 0.299 nan 8.290 nan 0.000 0.516 248 Y N -1.116 119.031 120.300 -0.255 0.000 2.643 248 Y HA 0.683 5.233 4.550 0.001 0.000 0.347 248 Y C -1.495 174.167 175.900 -0.398 0.000 1.208 248 Y CA -1.542 56.330 58.100 -0.379 0.000 1.245 248 Y CB 0.220 38.304 38.460 -0.627 0.000 1.369 248 Y HN 0.401 nan 8.280 nan 0.000 0.487 249 N N 1.700 120.100 118.700 -0.501 0.000 2.264 249 N HA 0.528 5.269 4.740 0.001 0.000 0.288 249 N C -2.226 173.099 175.510 -0.309 0.000 1.094 249 N CA -0.603 52.159 53.050 -0.480 0.000 0.817 249 N CB 1.853 40.167 38.487 -0.287 0.000 1.604 249 N HN 0.737 nan 8.380 nan 0.000 0.473 250 W N 2.594 123.736 121.300 -0.264 0.000 2.438 250 W HA 0.598 5.258 4.660 0.001 0.000 0.324 250 W C 0.229 176.681 176.519 -0.113 0.000 1.119 250 W CA -0.359 56.906 57.345 -0.133 0.000 1.221 250 W CB 0.991 30.403 29.460 -0.080 0.000 1.253 250 W HN 0.615 nan 8.180 nan 0.000 0.555 251 C N -1.271 118.151 119.300 0.204 0.000 3.320 251 C HA 0.488 4.948 4.460 0.001 0.000 0.335 251 C C -0.124 174.961 174.990 0.158 0.000 1.430 251 C CA -0.984 58.078 59.018 0.073 0.000 1.271 251 C CB 1.257 28.931 27.740 -0.110 0.000 1.609 251 C HN 1.013 nan 8.230 nan 0.000 0.457 252 H N 0.216 119.338 119.070 0.086 0.000 2.791 252 H HA -0.154 4.402 4.556 0.001 0.000 0.302 252 H C -0.082 175.279 175.328 0.055 0.000 1.198 252 H CA 1.350 57.440 56.048 0.070 0.000 1.145 252 H CB -1.115 28.701 29.762 0.090 0.000 1.385 252 H HN 1.236 nan 8.280 nan 0.000 0.409 253 D N 0.387 120.874 120.400 0.145 0.000 4.478 253 D HA -0.210 4.430 4.640 0.001 0.000 0.238 253 D C -0.040 176.294 176.300 0.056 0.000 1.056 253 D CA 0.867 54.901 54.000 0.058 0.000 1.245 253 D CB 0.162 40.986 40.800 0.040 0.000 0.794 253 D HN 0.485 nan 8.370 nan 0.000 0.394 254 R N 2.714 123.196 120.500 -0.030 0.000 1.532 254 R HA -0.262 4.079 4.340 0.001 0.000 0.182 254 R C 0.470 176.839 176.300 0.114 0.000 0.534 254 R CA 0.863 56.900 56.100 -0.105 0.000 0.334 254 R CB -0.942 29.063 30.300 -0.492 0.000 1.580 254 R HN 0.533 nan 8.270 nan 0.000 0.572 255 N N -0.835 118.008 118.700 0.238 0.000 2.594 255 N HA 0.048 4.789 4.740 0.001 0.000 0.237 255 N C -0.091 175.565 175.510 0.242 0.000 1.057 255 N CA 0.331 53.512 53.050 0.219 0.000 0.883 255 N CB 0.839 39.442 38.487 0.193 0.000 1.538 255 N HN 0.082 nan 8.380 nan 0.000 0.451 256 V N 1.461 121.521 119.914 0.242 0.000 2.656 256 V HA 0.552 4.672 4.120 0.001 0.000 0.307 256 V C -1.120 175.053 176.094 0.131 0.000 1.051 256 V CA -0.651 61.744 62.300 0.157 0.000 0.893 256 V CB 2.238 34.128 31.823 0.112 0.000 0.999 256 V HN -0.157 nan 8.190 nan 0.000 0.426 257 V N 5.694 125.614 119.914 0.010 0.000 2.656 257 V HA 0.732 4.852 4.120 0.001 0.000 0.307 257 V C -0.106 175.890 176.094 -0.164 0.000 1.051 257 V CA 0.022 62.217 62.300 -0.175 0.000 0.893 257 V CB 2.649 34.156 31.823 -0.528 0.000 0.999 257 V HN 0.999 nan 8.190 nan 0.000 0.426 258 T N 7.731 122.171 114.554 -0.190 0.000 2.859 258 T HA 0.660 5.010 4.350 0.001 0.000 0.281 258 T C -0.405 174.219 174.700 -0.128 0.000 1.005 258 T CA -0.163 61.853 62.100 -0.140 0.000 1.025 258 T CB 1.136 69.923 68.868 -0.136 0.000 0.977 258 T HN 0.553 nan 8.240 nan 0.000 0.458 259 I N 3.012 123.543 120.570 -0.066 0.000 2.517 259 I HA 0.309 4.479 4.170 0.001 0.000 0.280 259 I C -1.213 174.919 176.117 0.025 0.000 1.061 259 I CA -0.637 60.643 61.300 -0.034 0.000 1.091 259 I CB 1.059 39.028 38.000 -0.051 0.000 1.205 259 I HN 0.496 nan 8.210 nan 0.000 0.459 260 F N 4.786 124.636 119.950 -0.167 0.000 2.405 260 F HA 0.314 4.841 4.527 0.001 0.000 0.355 260 F C 1.026 176.705 175.800 -0.202 0.000 1.121 260 F CA -0.048 57.836 58.000 -0.192 0.000 1.112 260 F CB 1.499 40.373 39.000 -0.209 0.000 1.126 260 F HN 0.329 nan 8.300 nan 0.000 0.481 261 S N 3.771 119.140 115.700 -0.553 0.000 2.568 261 S HA 0.348 4.818 4.470 0.001 0.000 0.232 261 S C 0.456 174.840 174.600 -0.360 0.000 0.975 261 S CA -0.031 57.937 58.200 -0.387 0.000 0.949 261 S CB 0.194 63.282 63.200 -0.187 0.000 0.829 261 S HN 0.620 nan 8.310 nan 0.000 0.479 262 A N 4.038 126.423 122.820 -0.726 0.000 2.540 262 A HA 0.533 4.853 4.320 0.001 0.000 0.340 262 A C -2.661 174.857 177.584 -0.109 0.000 1.424 262 A CA -1.907 49.887 52.037 -0.406 0.000 0.940 262 A CB 0.134 18.767 19.000 -0.611 0.000 1.149 262 A HN 0.108 nan 8.150 nan 0.000 0.505 263 P HA 0.030 nan 4.420 nan 0.000 0.271 263 P C 0.137 177.585 177.300 0.248 0.000 1.216 263 P CA 0.360 63.562 63.100 0.169 0.000 0.771 263 P CB 0.564 32.415 31.700 0.252 0.000 0.864 264 N N 1.907 120.751 118.700 0.240 0.000 2.714 264 N HA -0.264 4.476 4.740 0.001 0.000 0.250 264 N C -0.390 175.319 175.510 0.332 0.000 1.117 264 N CA 0.451 53.652 53.050 0.251 0.000 0.719 264 N CB -2.383 36.242 38.487 0.229 0.000 1.081 264 N HN 0.595 nan 8.380 nan 0.000 0.557 265 Y N -0.256 120.164 120.300 0.199 0.000 3.236 265 Y HA -0.362 4.189 4.550 0.001 0.000 0.377 265 Y C 1.789 177.726 175.900 0.061 0.000 1.142 265 Y CA 0.869 59.076 58.100 0.179 0.000 1.543 265 Y CB -0.068 38.569 38.460 0.295 0.000 1.022 265 Y HN 0.512 nan 8.280 nan 0.000 0.603 266 C N 3.829 123.105 119.300 -0.040 0.000 4.301 266 C HA -0.339 4.121 4.460 0.001 0.000 0.284 266 C C 0.546 175.457 174.990 -0.131 0.000 1.517 266 C CA 1.157 59.956 59.018 -0.364 0.000 1.925 266 C CB -3.025 24.392 27.740 -0.538 0.000 1.531 266 C HN 1.115 nan 8.230 nan 0.000 0.756 267 Y N -3.045 117.300 120.300 0.076 0.000 4.569 267 Y HA -0.339 4.211 4.550 0.001 0.000 0.237 267 Y C 1.494 177.412 175.900 0.030 0.000 1.090 267 Y CA 0.684 58.823 58.100 0.064 0.000 2.052 267 Y CB -0.993 37.493 38.460 0.043 0.000 1.621 267 Y HN 0.577 nan 8.280 nan 0.000 0.682 268 R N -1.612 118.973 120.500 0.141 0.000 2.756 268 R HA 0.161 4.501 4.340 0.001 0.000 0.170 268 R C 1.570 177.909 176.300 0.065 0.000 0.800 268 R CA 0.801 56.943 56.100 0.070 0.000 1.052 268 R CB -0.782 29.519 30.300 0.001 0.000 1.437 268 R HN 0.292 nan 8.270 nan 0.000 0.607 269 C N 2.029 121.369 119.300 0.067 0.000 2.385 269 C HA -0.018 4.442 4.460 0.001 0.000 0.306 269 C C 1.534 176.581 174.990 0.094 0.000 1.433 269 C CA 0.835 59.903 59.018 0.084 0.000 1.796 269 C CB -1.918 25.913 27.740 0.151 0.000 1.749 269 C HN 0.816 nan 8.230 nan 0.000 0.565 270 G N 2.522 111.386 108.800 0.106 0.000 2.416 270 G HA2 -0.279 3.681 3.960 0.001 0.000 0.301 270 G HA3 -0.279 3.681 3.960 0.001 0.000 0.301 270 G C -0.015 174.935 174.900 0.084 0.000 0.985 270 G CA 0.719 45.873 45.100 0.089 0.000 0.934 270 G HN 0.842 nan 8.290 nan 0.000 0.513 271 N N -0.926 117.842 118.700 0.113 0.000 2.459 271 N HA 0.424 5.165 4.740 0.001 0.000 0.288 271 N C -0.193 175.371 175.510 0.091 0.000 1.186 271 N CA -0.786 52.319 53.050 0.091 0.000 0.917 271 N CB 1.174 39.729 38.487 0.113 0.000 1.219 271 N HN 0.377 nan 8.380 nan 0.000 0.525 272 Q N -0.338 119.491 119.800 0.049 0.000 2.221 272 Q HA 0.623 4.964 4.340 0.001 0.000 0.242 272 Q C -0.665 175.309 176.000 -0.044 0.000 0.940 272 Q CA -0.875 54.936 55.803 0.013 0.000 0.896 272 Q CB 1.641 30.379 28.738 0.000 0.000 1.226 272 Q HN 0.765 nan 8.270 nan 0.000 0.463 273 A N 0.488 123.176 122.820 -0.220 0.000 2.386 273 A HA 0.958 5.278 4.320 0.001 0.000 0.308 273 A C -1.323 175.774 177.584 -0.812 0.000 1.128 273 A CA -0.135 51.645 52.037 -0.428 0.000 0.789 273 A CB 1.737 20.459 19.000 -0.465 0.000 1.325 273 A HN 0.755 nan 8.150 nan 0.000 0.437 274 A N -0.252 122.157 122.820 -0.685 0.000 2.581 274 A HA 0.808 5.128 4.320 0.001 0.000 0.290 274 A C -1.039 176.356 177.584 -0.316 0.000 1.119 274 A CA 0.079 51.774 52.037 -0.569 0.000 0.670 274 A CB 0.591 19.404 19.000 -0.313 0.000 1.280 274 A HN 2.065 nan 8.150 nan 0.000 0.425 275 I N -2.547 117.935 120.570 -0.148 0.000 2.994 275 I HA 0.767 4.937 4.170 0.001 0.000 0.306 275 I C -0.803 175.306 176.117 -0.015 0.000 1.195 275 I CA -0.944 60.325 61.300 -0.051 0.000 1.001 275 I CB 2.309 40.321 38.000 0.021 0.000 1.244 275 I HN 0.804 nan 8.210 nan 0.000 0.437 276 M N 3.321 122.893 119.600 -0.047 0.000 2.205 276 M HA 0.459 4.940 4.480 0.001 0.000 0.344 276 M C -1.207 174.951 176.300 -0.238 0.000 1.085 276 M CA -0.131 55.027 55.300 -0.237 0.000 1.001 276 M CB 1.388 33.852 32.600 -0.227 0.000 1.626 276 M HN 0.645 nan 8.290 nan 0.000 0.442 277 E N 5.981 126.015 120.200 -0.275 0.000 2.092 277 E HA 0.358 4.709 4.350 0.001 0.000 0.271 277 E C -1.277 175.222 176.600 -0.169 0.000 0.919 277 E CA -0.396 55.891 56.400 -0.189 0.000 0.760 277 E CB 1.379 30.991 29.700 -0.148 0.000 1.106 277 E HN 0.691 nan 8.360 nan 0.000 0.408 278 L N 4.739 125.885 121.223 -0.128 0.000 2.265 278 L HA 0.182 4.522 4.340 0.001 0.000 0.288 278 L C 0.914 177.745 176.870 -0.065 0.000 1.058 278 L CA -0.585 54.211 54.840 -0.074 0.000 0.809 278 L CB 0.311 42.341 42.059 -0.048 0.000 1.179 278 L HN 0.616 nan 8.230 nan 0.000 0.429 279 D N 1.626 121.996 120.400 -0.049 0.000 2.399 279 D HA -0.010 4.631 4.640 0.001 0.000 0.288 279 D C 0.244 176.524 176.300 -0.033 0.000 1.197 279 D CA -0.277 53.694 54.000 -0.048 0.000 1.081 279 D CB 0.556 41.328 40.800 -0.047 0.000 1.139 279 D HN 0.373 nan 8.370 nan 0.000 0.554 280 D N -1.325 119.057 120.400 -0.030 0.000 2.312 280 D HA -0.012 4.629 4.640 0.001 0.000 0.211 280 D C 0.510 176.803 176.300 -0.013 0.000 0.964 280 D CA 1.371 55.358 54.000 -0.021 0.000 0.877 280 D CB -0.113 40.674 40.800 -0.022 0.000 0.924 280 D HN 0.524 nan 8.370 nan 0.000 0.515 281 T N -2.008 112.538 114.554 -0.013 0.000 3.732 281 T HA 0.314 4.664 4.350 0.001 0.000 0.234 281 T C 0.225 174.928 174.700 0.005 0.000 1.146 281 T CA -0.668 61.429 62.100 -0.005 0.000 1.454 281 T CB -0.987 67.873 68.868 -0.013 0.000 0.910 281 T HN 0.043 nan 8.240 nan 0.000 0.640 282 L N 0.754 121.989 121.223 0.019 0.000 3.963 282 L HA -0.190 4.150 4.340 0.001 0.000 0.522 282 L C 0.002 176.922 176.870 0.084 0.000 1.097 282 L CA 0.620 55.494 54.840 0.056 0.000 0.727 282 L CB -1.110 41.000 42.059 0.085 0.000 1.193 282 L HN 0.472 nan 8.230 nan 0.000 0.757 283 K N 1.768 122.192 120.400 0.039 0.000 2.207 283 K HA 0.435 4.755 4.320 0.001 0.000 0.255 283 K C -0.321 176.333 176.600 0.089 0.000 0.941 283 K CA -0.660 55.620 56.287 -0.012 0.000 0.825 283 K CB 1.339 33.791 32.500 -0.080 0.000 1.119 283 K HN 0.172 nan 8.250 nan 0.000 0.430 284 Y N 1.183 121.444 120.300 -0.065 0.000 2.531 284 Y HA 0.103 4.653 4.550 0.001 0.000 0.347 284 Y C 0.629 176.378 175.900 -0.252 0.000 1.024 284 Y CA -0.833 57.153 58.100 -0.189 0.000 1.306 284 Y CB 0.248 38.748 38.460 0.067 0.000 1.149 284 Y HN 0.366 nan 8.280 nan 0.000 0.527 285 S N 3.430 118.958 115.700 -0.287 0.000 2.756 285 S HA 0.578 5.049 4.470 0.001 0.000 0.303 285 S C -1.118 173.244 174.600 -0.396 0.000 1.135 285 S CA -0.802 57.270 58.200 -0.213 0.000 1.066 285 S CB 0.330 63.460 63.200 -0.115 0.000 1.008 285 S HN 0.392 nan 8.310 nan 0.000 0.482 286 F N 2.261 122.149 119.950 -0.105 0.000 2.422 286 F HA 0.580 5.107 4.527 0.001 0.000 0.333 286 F C 0.108 175.775 175.800 -0.222 0.000 1.095 286 F CA -1.148 56.662 58.000 -0.318 0.000 1.038 286 F CB 1.419 39.962 39.000 -0.763 0.000 1.156 286 F HN 0.453 nan 8.300 nan 0.000 0.483 287 L N 3.776 124.992 121.223 -0.012 0.000 2.342 287 L HA 0.443 4.783 4.340 0.001 0.000 0.276 287 L C -0.710 176.147 176.870 -0.022 0.000 0.997 287 L CA -0.684 54.169 54.840 0.021 0.000 0.838 287 L CB 1.461 43.560 42.059 0.068 0.000 1.224 287 L HN 0.569 nan 8.230 nan 0.000 0.416 288 Q N 3.726 123.523 119.800 -0.005 0.000 2.257 288 Q HA 0.586 4.926 4.340 0.001 0.000 0.255 288 Q C -1.055 174.965 176.000 0.034 0.000 0.920 288 Q CA -0.482 55.283 55.803 -0.064 0.000 0.927 288 Q CB 2.003 30.752 28.738 0.017 0.000 1.229 288 Q HN 0.467 nan 8.270 nan 0.000 0.433 289 F N -1.293 118.672 119.950 0.025 0.000 2.603 289 F HA 0.594 5.121 4.527 0.001 0.000 0.317 289 F C -0.719 175.102 175.800 0.035 0.000 1.066 289 F CA -1.438 56.576 58.000 0.024 0.000 0.941 289 F CB 1.255 40.260 39.000 0.008 0.000 1.291 289 F HN 0.225 nan 8.300 nan 0.000 0.472 290 D N 2.343 122.954 120.400 0.352 0.000 2.181 290 D HA 0.293 4.933 4.640 0.001 0.000 0.248 290 D C -2.583 173.877 176.300 0.267 0.000 1.020 290 D CA -1.101 53.044 54.000 0.241 0.000 0.891 290 D CB 1.855 42.743 40.800 0.147 0.000 1.187 290 D HN 0.339 nan 8.370 nan 0.000 0.443 291 P HA -0.040 nan 4.420 nan 0.000 0.260 291 P C -0.559 176.819 177.300 0.130 0.000 1.172 291 P CA -0.101 63.118 63.100 0.199 0.000 0.760 291 P CB 0.261 32.069 31.700 0.179 0.000 0.773 292 A N 6.943 129.820 122.820 0.096 0.000 2.546 292 A HA 0.195 4.516 4.320 0.001 0.000 0.243 292 A C -1.514 176.110 177.584 0.067 0.000 1.063 292 A CA -0.983 51.086 52.037 0.053 0.000 0.757 292 A CB -1.127 17.891 19.000 0.029 0.000 0.991 292 A HN 0.468 nan 8.150 nan 0.000 0.503 293 P HA 0.124 nan 4.420 nan 0.000 0.261 293 P C -0.226 177.109 177.300 0.059 0.000 1.203 293 P CA 0.342 63.469 63.100 0.046 0.000 0.767 293 P CB 0.543 32.263 31.700 0.034 0.000 0.785 294 R N 0.000 120.534 120.500 0.056 0.000 2.786 294 R HA 0.000 4.340 4.340 0.001 0.000 0.208 294 R CA 0.000 56.149 56.100 0.082 0.000 0.921 294 R CB 0.000 30.312 30.300 0.021 0.000 0.687 294 R HN 0.000 nan 8.270 nan 0.000 0.535